| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 25.1 | Very low | 34.7 | Very low | 202 Ų | 202 | 130 Ų | 130 | 100% | 0.995 | 62% | 0.624 | S | S | * | * | 0 | -39.8 | 0 | -97.8 | -176.9 | 173.9 | 0 | 0 | 113.8 | T4 M5 | M1-T4 WeakPolarHBondContact CA-OG1 3.27Å; M1-T4 PolarHBondContact O-OG1 3.42Å; M1-M5 PolarHBondContact O-N 3.18Å | |||
| 2 | K | 25.1 | Very low | 37.1 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 78% | 0.778 | 62% | 0.621 | S | S | * | * | trans | -67.4 | -45.9 | 174.2 | -86.3 | -174.6 | 172.6 | -175.3 | 0 | 114.4 | T4 M5 D6 | K2-T4 VanDerWaalsContact C-N 3.3Å; K2-T4 PolarHBondContact O-N 3.36Å; K2-M5 WeakPolarHBondContact O-CA 3.43Å; K2-M5 WeakPolarHBondContact O-CB 3.43Å; K2-M5 PolarHBondContact O-N 3.19Å; K2-D6 PolarHBondContact O-N 3.11Å | ||
| 3 | L | 27.4 | Very low | 39.9 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -55.3 | -40.5 | 175.6 | -83.3 | 152.5 | 0 | 0 | 0 | 113.6 | M5 D6 E7 | L3-M5 VanDerWaalsContact C-N 3.28Å; L3-M5 PolarHBondContact O-N 3.37Å; L3-D6 PolarHBondContact O-N 3.01Å; L3-E7 PolarHBondContact O-N 3.41Å |
| 4 | T | 30.9 | Very low | 42.7 | Very low | 80 Ų | 80 | 114.4 Ų | 114.4 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.5 | -18.9 | 175 | 41.1 | 0 | 0 | 0 | 0 | 114.1 | M1 K2 K8 | M1-T4 WeakPolarHBondContact CA-OG1 3.27Å; M1-T4 PolarHBondContact O-OG1 3.42Å; K2-T4 VanDerWaalsContact C-N 3.3Å; K2-T4 PolarHBondContact O-N 3.36Å; T4-K8 WeakPolarHBondContact O-CB 3.44Å; T4-K8 WeakPolarHBondContact O-CG 3.42Å; T4-K8 PolarHBondContact O-N 3.04Å |
| 5 | M | 27.5 | Very low | 44.5 | Very low | 132 Ų | 132 | 107.3 Ų | 107.3 | 65% | 0.65 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -83.2 | -36.5 | 173.2 | -89.3 | -164.4 | 148.2 | 0 | 0 | 111.6 | M1 K2 L3 K8 K9 | M1-M5 PolarHBondContact O-N 3.18Å; K2-M5 WeakPolarHBondContact O-CA 3.43Å; K2-M5 WeakPolarHBondContact O-CB 3.43Å; K2-M5 PolarHBondContact O-N 3.19Å; L3-M5 VanDerWaalsContact C-N 3.28Å; L3-M5 PolarHBondContact O-N 3.37Å; M5-K8 PolarHBondContact O-N 2.89Å; M5-K9 WeakPolarHBondContact O-CB 3.38Å; M5-K9 PolarHBondContact O-N 2.85Å |
| 6 | D | 35.6 | Very low | 46 | Very low | 105 Ų | 105 | 104.1 Ų | 104.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.3 | -37.1 | 176.3 | -69.4 | -33.9 | 0 | 0 | 0 | 112 | K2 L3 K8 K9 S10 | K2-D6 PolarHBondContact O-N 3.11Å; L3-D6 PolarHBondContact O-N 3.01Å; D6-K8 VanDerWaalsContact C-N 3.29Å; D6-K8 PolarHBondContact O-N 3.34Å; D6-K9 PolarHBondContact O-N 2.88Å; D6-S10 WeakPolarHBondContact O-CB 3.23Å; D6-S10 PolarHBondContact O-N 2.78Å; D6-S10 PolarHBondContact O-OG 3.34Å |
| 7 | E | 34.7 | Very low | 47.1 | Very low | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.1 | -30.8 | 168.9 | -78.9 | -173.2 | 153.9 | 0 | 0 | 113.1 | L3 S10 K11 | L3-E7 PolarHBondContact O-N 3.41Å; E7-S10 PolarHBondContact O-OG 3.35Å; E7-S10 VanDerWaalsContact O-OG 3.1Å; E7-K11 PolarHBondContact O-N 3.14Å |
| 8 | K | 34.8 | Very low | 48.1 | Very low | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.678 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -74.1 | -43 | 174.3 | -95.5 | -173.8 | 171 | -173.4 | 0 | 111.8 | T4 M5 D6 K11 E12 | T4-K8 WeakPolarHBondContact O-CB 3.44Å; T4-K8 WeakPolarHBondContact O-CG 3.42Å; T4-K8 PolarHBondContact O-N 3.04Å; M5-K8 PolarHBondContact O-N 2.89Å; D6-K8 VanDerWaalsContact C-N 3.29Å; D6-K8 PolarHBondContact O-N 3.34Å; K8-K11 PolarHBondContact O-N 3.01Å; K8-E12 PolarHBondContact O-N 3.16Å |
| 9 | K | 40.5 | Very low | 49.1 | Very low | 128 Ų | 128 | 97.5 Ų | 97.5 | 56% | 0.557 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.3 | -37.5 | 176 | -85.5 | -175 | 172 | -175.7 | 0 | 112 | M5 D6 E12 M13 | M5-K9 WeakPolarHBondContact O-CB 3.38Å; M5-K9 PolarHBondContact O-N 2.85Å; D6-K9 PolarHBondContact O-N 2.88Å; K9-E12 PolarHBondContact O-N 3.28Å; K9-M13 PolarHBondContact O-N 3.13Å |
| 10 | S | 47.7 | Very low | 49.7 | Very low | 22 Ų | 22 | 93.5 Ų | 93.5 | 15% | 0.154 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66 | -38.7 | 177.9 | 70.8 | 0 | 0 | 0 | 0 | 112.1 | D6 E7 E12 M13 | D6-S10 WeakPolarHBondContact O-CB 3.23Å; D6-S10 PolarHBondContact O-N 2.78Å; D6-S10 PolarHBondContact O-OG 3.34Å; E7-S10 PolarHBondContact O-OG 3.35Å; E7-S10 VanDerWaalsContact O-OG 3.1Å; S10-E12 PolarHBondContact O-N 3.31Å; S10-M13 PolarHBondContact O-N 2.98Å |
| 11 | K | 52 | Low | 50.2 | Low | 172 Ų | 172 | 90.8 Ų | 90.8 | 75% | 0.748 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65 | -18.9 | 175 | -82.7 | -172.8 | 175.8 | -176.9 | 0 | 114.9 | E7 K8 | E7-K11 PolarHBondContact O-N 3.14Å; K8-K11 PolarHBondContact O-N 3.01Å |
| 12 | E | 64.3 | Low | 51.9 | Low | 126 Ų | 126 | 81.5 Ų | 81.5 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -83.7 | -34.7 | 175.9 | -70.4 | 178 | 176.5 | 0 | 0 | 111.4 | K8 K9 S10 R1257 I1260 | K8-E12 PolarHBondContact O-N 3.16Å; K9-E12 PolarHBondContact O-N 3.28Å; S10-E12 PolarHBondContact O-N 3.31Å; E12-R1257 WeakPolarHBondContact O-CG 3.47Å; E12-I1260 HydrophobicContact CB-CD1 4.03Å; E12-I1260 WeakPolarHBondContact O-CD1 3.42Å |
| 13 | M | 73.4 | Confident | 53.5 | Low | 40 Ų | 40 | 73 Ų | 73 | 20% | 0.197 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -70.7 | 166.4 | -178.7 | -65.6 | -176 | -179.6 | 0 | 0 | 113.6 | K9 S10 F15 I1260 T1262 | K9-M13 PolarHBondContact O-N 3.13Å; S10-M13 PolarHBondContact O-N 2.98Å; M13-F15 HydrophobicContact CB-CB 4.34Å; M13-F15 PolarHBondContact O-N 3.44Å; M13-I1260 HydrophobicContact CG-CD1 4.39Å; M13-I1260 HydrophobicContact CG-CG2 4.45Å; M13-T1262 HydrophobicContact CE-CG2 4.21Å |
| 14 | L | 78.7 | Confident | 55.6 | Low | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -70.9 | -18.9 | 170 | -72.1 | 168.5 | 0 | 0 | 0 | 112.7 | R808 L1118 A1121 E1122 R1257 | L14-R808 HydrophobicContact CD2-CB 4.18Å; L14-R808 HydrophobicContact CD2-CG 4.49Å; L14-L1118 HydrophobicContact CD2-CD2 4.17Å; L14-A1121 HydrophobicContact CD1-CB 3.68Å; L14-E1122 HydrophobicContact CB-CB 4.04Å; L14-E1122 HydrophobicContact CB-CG 4.19Å; L14-E1122 HydrophobicContact CD1-CB 4.45Å; L14-R1257 HydrophobicContact CD2-CB 3.83Å; L14-R1257 HydrophobicContact CG-CB 4.09Å |
| 15 | F | 69.6 | Low | 57.9 | Low | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | trans | -75.8 | 128.2 | 178.8 | 162 | -107.8 | 0 | 0 | 0 | 111.7 | M13 P17 F239 I1079 | M13-F15 HydrophobicContact CB-CB 4.34Å; M13-F15 PolarHBondContact O-N 3.44Å; F15-P17 HydrophobicContact CD1-CG 4.45Å; F15-P17 HydrophobicContact CE1-CB 4.28Å; F15-P17 HydrophobicContact CE1-CG 3.69Å; F15-P17 HydrophobicContact CZ-CB 4.05Å; F15-P17 HydrophobicContact CZ-CG 3.97Å; F15-F239 HydrophobicContact CE1-CD2 4.37Å; F15-F239 AromaticContact CE1-CE2 3.43Å; F15-F239 HydrophobicContact CE1-CE2 3.43Å; F15-F239 VanDerWaalsContact CE1-CE2 3.43Å; F15-F239 AromaticContact CE1-CZ 3.64Å; F15-F239 HydrophobicContact CE1-CZ 3.64Å; F15-F239 HydrophobicContact CE2-CE2 4.15Å; F15-F239 AromaticContact CZ-CD2 3.86Å; F15-F239 HydrophobicContact CZ-CD2 3.86Å; F15-F239 AromaticContact CZ-CE2 3.21Å; F15-F239 HydrophobicContact CZ-CE2 3.21Å; F15-F239 AromaticContact CZ-CZ 3.94Å; F15-F239 HydrophobicContact CZ-CZ 3.94Å; F15-I1079 HydrophobicContact CD2-CD1 3.99Å; F15-I1079 HydrophobicContact CD2-CG1 3.8Å; F15-I1079 HydrophobicContact CE2-CD1 3.61Å; F15-I1079 HydrophobicContact CE2-CG1 3.54Å | ||
| 16 | D | 69 | Low | 61 | Low | 56 Ų | 56 | 57.3 Ų | 57.3 | 30% | 0.299 | 28% | 0.277 | S | S | . | . | trans | -110 | 117.6 | 170.9 | -169.2 | -25 | 0 | 0 | 0 | 110.5 | N18 E19 I1079 | D16-N18 PolarHBondContact O-N 3.14Å; D16-N18 VanDerWaalsContact O-N 3.09Å; D16-N18 WeakPolarHBondContact OD1-CB 3.42Å; D16-N18 PolarHBondContact OD1-N 2.86Å; D16-N18 PolarHBondContact OD1-ND2 2.89Å; D16-E19 HydrophobicContact CB-CG 4.09Å; D16-E19 PolarHBondContact O-N 3.31Å; D16-I1079 WeakPolarHBondContact O-CD1 3.48Å | ||
| 17 | P | 63.5 | Low | 63.7 | Low | 40 Ų | 40 | 52.3 Ų | 52.3 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -14.3 | 177.9 | -19.4 | 28.7 | 0 | 0 | 0 | 115.6 | F15 E19 | F15-P17 HydrophobicContact CD1-CG 4.45Å; F15-P17 HydrophobicContact CE1-CB 4.28Å; F15-P17 HydrophobicContact CE1-CG 3.69Å; F15-P17 HydrophobicContact CZ-CB 4.05Å; F15-P17 HydrophobicContact CZ-CG 3.97Å; P17-E19 VanDerWaalsContact C-N 3.31Å |
| 18 | N | 66.8 | Low | 66.6 | Low | 115 Ų | 115 | 45.9 Ų | 45.9 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -11.6 | 178.6 | -60.3 | -59 | 0 | 0 | 0 | 113.3 | D16 E20 | D16-N18 PolarHBondContact O-N 3.14Å; D16-N18 VanDerWaalsContact O-N 3.09Å; D16-N18 WeakPolarHBondContact OD1-CB 3.42Å; D16-N18 PolarHBondContact OD1-N 2.86Å; D16-N18 PolarHBondContact OD1-ND2 2.89Å; N18-E20 PolarHBondContact O-N 3.07Å |
| 19 | E | 66 | Low | 69.5 | Low | 32 Ų | 32 | 38.5 Ų | 38.5 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | trans | -90.5 | 30 | 178.3 | -56.7 | -67.8 | 143.6 | 0 | 0 | 111.2 | D16 P17 H21 R261 I1075 I1079 | D16-E19 HydrophobicContact CB-CG 4.09Å; D16-E19 PolarHBondContact O-N 3.31Å; P17-E19 VanDerWaalsContact C-N 3.31Å; E19-H21 PolarHBondContact O-CD2 3.37Å; E19-H21 VanDerWaalsContact O-CD2 3.31Å; E19-H21 PolarHBondContact O-NE2 3.37Å; E19-R261 IonicContact OE1-NH2 3.37Å; E19-R261 PolarHBondContact OE1-NH2 3.23Å; E19-I1075 HydrophobicContact CG-CG1 4.17Å; E19-I1079 HydrophobicContact CB-CD1 3.73Å; E19-I1079 WeakPolarHBondContact O-CD1 3.29Å | ||
| 20 | E | 61 | Low | 72.2 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | trans | -77.7 | 138.6 | 175.7 | 176.5 | 177.3 | -141.7 | 0 | 0 | 111.5 | N18 R233 N237 R244 | N18-E20 PolarHBondContact O-N 3.07Å; E20-R233 IonicContact OE1-CZ 3.76Å; E20-R233 IonicContact OE1-NH1 2.66Å; E20-R233 IonicContact OE1-NH2 2.69Å; E20-R233 PolarHBondContact OE1-NH2 3.24Å; E20-R233 IonicContact OE2-NH2 3.06Å; E20-R233 PolarHBondContact OE2-NH2 3.37Å; E20-N237 WeakPolarHBondContact CG-ND2 3.22Å; E20-N237 PolarHBondContact OE1-ND2 2.67Å; E20-N237 PolarHBondContact OE1-OD1 2.51Å; E20-R244 WeakPolarHBondContact OE2-CD 3.33Å; E20-R244 IonicContact OE2-CZ 3.28Å; E20-R244 VanDerWaalsContact OE2-CZ 3.23Å; E20-R244 IonicContact OE2-NE 3.51Å; E20-R244 PolarHBondContact OE2-NE 3.36Å; E20-R244 IonicContact OE2-NH1 3.4Å; E20-R244 PolarHBondContact OE2-NH1 3.01Å | ||
| 21 | H | 61.2 | Low | 74.5 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 18% | 0.176 | 16% | 0.158 | C | C | . | . | trans | -126.4 | 148.4 | 177.5 | -58 | -65.6 | 0 | 0 | 0 | 111.8 | E19 T236 E256 T543 | E19-H21 PolarHBondContact O-CD2 3.37Å; E19-H21 VanDerWaalsContact O-CD2 3.31Å; E19-H21 PolarHBondContact O-NE2 3.37Å; H21-T236 HydrophobicContact CB-CG2 4.29Å; H21-T236 PolarHBondContact N-OG1 2.84Å; H21-T236 PolarHBondContact O-N 3.23Å; H21-T236 VanDerWaalsContact O-N 3.13Å; H21-T236 PolarHBondContact O-OG1 3.26Å; H21-E256 VanDerWaalsContact CA-OE2 3.26Å; H21-E256 WeakPolarHBondContact CA-OE2 3.16Å; H21-E256 VanDerWaalsContact CB-OE2 3.26Å; H21-E256 WeakPolarHBondContact CB-OE2 3.43Å; H21-E256 IonicContact CE1-OE1 3.62Å; H21-E256 IonicContact CG-OE1 3.24Å; H21-E256 IonicContact CG-OE2 2.67Å; H21-E256 IonicContact ND1-OE1 3.73Å; H21-E256 PolarHBondContact ND1-OE1 2.87Å; H21-E256 IonicContact ND1-OE2 2.73Å; H21-E256 PolarHBondContact ND1-OE2 3.45Å; H21-T543 HydrophobicContact CB-CG2 3.46Å; H21-T543 VanDerWaalsContact CB-CG2 3.46Å | ||
| 22 | D | 59.2 | Low | 76.4 | Confident | 7 Ų | 7 | 24.6 Ų | 24.6 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 141 | -172.7 | -69.1 | -18.4 | 0 | 0 | 0 | 112.4 | R233 G255 E256 | D22-R233 IonicContact OD1-CZ 3.16Å; D22-R233 IonicContact OD1-NE 3.83Å; D22-R233 PolarHBondContact OD1-NE 3.39Å; D22-R233 IonicContact OD1-NH2 3Å; D22-R233 PolarHBondContact OD1-NH2 2.71Å; D22-R233 IonicContact OD2-CZ 3.62Å; D22-R233 VanDerWaalsContact OD2-CZ 3.29Å; D22-R233 IonicContact OD2-NE 2.73Å; D22-R233 PolarHBondContact OD2-NE 2.86Å; D22-R233 IonicContact OD2-NH2 2.74Å; D22-R233 PolarHBondContact OD2-NH2 3.18Å; D22-G255 CarbonylContact O-C 3.56Å; D22-E256 PolarHBondContact N-OE2 2.89Å; D22-E256 VanDerWaalsContact N-OE2 3.12Å |
| 23 | A | 58.9 | Low | 77.8 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 154.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | F234 I1048 E1049 | A23-F234 PolarHBondContact N-O 3.28Å; A23-F234 CarbonylContact O-C 3.52Å; A23-F234 WeakPolarHBondContact O-CA 3.16Å; A23-F234 WeakPolarHBondContact O-CB 3.41Å; A23-F234 PolarHBondContact O-N 2.89Å; A23-I1048 HydrophobicContact CB-CG2 4.21Å; A23-E1049 WeakPolarHBondContact CB-OE2 3.37Å |
| 24 | C | 72.8 | Confident | 78.6 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166.5 | -144.9 | -58.9 | 0 | 0 | 0 | 0 | 116.1 | R54 H231 N232 R233 N254 E1049 | C24-R54 PolarHBondContact O-NH1 3.5Å; C24-H231 VanDerWaalsContact CB-CE1 3.46Å; C24-H231 WeakPolarHBondContact CB-CE1 3.27Å; C24-H231 WeakPolarHBondContact CB-NE2 3.39Å; C24-H231 PolarHBondContact SG-CE1 2.87Å; C24-H231 PolarHBondContact SG-NE2 2.87Å; C24-N232 CarbonylContact C-O 3.53Å; C24-N232 VanDerWaalsContact CA-O 3.28Å; C24-N232 WeakPolarHBondContact CA-O 3.46Å; C24-N232 WeakPolarHBondContact CB-O 3.3Å; C24-R233 VanDerWaalsContact SG-CA 3.57Å; C24-N254 HydrophobicContact CB-CB 4.16Å; C24-N254 PolarHBondContact N-OD1 3.42Å; C24-N254 PolarHBondContact O-ND2 3.21Å; C24-N254 PolarHBondContact O-OD1 2.93Å; C24-E1049 PolarHBondContact N-OE1 2.84Å |
| 25 | G | 79.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | H231 N232 | G25-H231 CarbonylContact O-C 3.1Å; G25-H231 WeakPolarHBondContact O-CA 3.44Å; G25-N232 PolarHBondContact N-O 2.91Å; G25-N232 PolarHBondContact O-N 2.68Å |
| 26 | V | 91.7 | Very high | 80.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 144.1 | 178.9 | 70 | 0 | 0 | 0 | 0 | 110.9 | A252 N254 L361 V363 S396 | V26-A252 HydrophobicContact CG2-CB 3.7Å; V26-N254 HydrophobicContact CB-CB 4.36Å; V26-N254 HydrophobicContact CG1-CB 3.75Å; V26-L361 HydrophobicContact CG1-CD2 3.35Å; V26-L361 HydrophobicContact CG1-CG 3.78Å; V26-V363 HydrophobicContact CG1-CG2 4.07Å; V26-V363 HydrophobicContact CG2-CB 4.14Å; V26-V363 HydrophobicContact CG2-CG2 3.63Å; V26-S396 PolarHBondContact N-OG 2.77Å; V26-S396 PolarHBondContact O-N 3.21Å; V26-S396 VanDerWaalsContact O-N 3.16Å; V26-S396 PolarHBondContact O-OG 3.48Å |
| 27 | G | 92.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 167 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I229 V230 M394 | G27-I229 WeakPolarHBondContact O-CA 3.24Å; G27-V230 PolarHBondContact N-O 3.11Å; G27-V230 VanDerWaalsContact N-O 3.11Å; G27-V230 PolarHBondContact O-N 3.13Å; G27-M394 CarbonylContact C-O 3.6Å; G27-M394 WeakPolarHBondContact CA-O 3.39Å |
| 28 | F | 95.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.8 | 171.3 | 74 | -102.3 | 0 | 0 | 0 | 112.7 | V30 A228 I229 V363 I370 A372 V392 M394 L421 | F28-V30 HydrophobicContact CD2-CB 4.39Å; F28-V30 HydrophobicContact CD2-CG1 4.01Å; F28-V30 HydrophobicContact CE2-CG1 3.7Å; F28-A228 CarbonylContact C-O 3.51Å; F28-A228 WeakPolarHBondContact CA-O 3.42Å; F28-A228 WeakPolarHBondContact CB-O 3.29Å; F28-I229 HydrophobicContact CB-CG1 3.94Å; F28-V363 HydrophobicContact CB-CG1 4.18Å; F28-V363 HydrophobicContact CD1-CG1 3.54Å; F28-V363 HydrophobicContact CE1-CG1 4.37Å; F28-V363 HydrophobicContact CG-CG1 4.27Å; F28-I370 HydrophobicContact CB-CD1 3.81Å; F28-I370 HydrophobicContact CD1-CG1 4.42Å; F28-I370 HydrophobicContact CD2-CD1 3.66Å; F28-I370 HydrophobicContact CD2-CG1 4.04Å; F28-I370 HydrophobicContact CE2-CD1 4.36Å; F28-I370 HydrophobicContact CE2-CG1 4.32Å; F28-I370 HydrophobicContact CE2-CG2 4.49Å; F28-I370 HydrophobicContact CG-CD1 3.76Å; F28-I370 HydrophobicContact CG-CG1 4.11Å; F28-A372 HydrophobicContact CE1-CB 4.32Å; F28-V392 HydrophobicContact CE2-CG1 4.06Å; F28-V392 HydrophobicContact CZ-CG1 4.41Å; F28-M394 HydrophobicContact CD1-CB 3.64Å; F28-M394 HydrophobicContact CD1-CE 3.58Å; F28-M394 HydrophobicContact CD1-CG 4.3Å; F28-M394 HydrophobicContact CD2-CB 4.4Å; F28-M394 HydrophobicContact CE1-CB 3.33Å; F28-M394 HydrophobicContact CE1-CE 3.7Å; F28-M394 HydrophobicContact CE1-CG 3.81Å; F28-M394 HydrophobicContact CE2-CB 4.11Å; F28-M394 HydrophobicContact CG-CB 4.18Å; F28-M394 HydrophobicContact CZ-CB 3.58Å; F28-M394 HydrophobicContact CZ-CG 4.32Å; F28-M394 PolarHBondContact N-O 2.78Å; F28-M394 PolarHBondContact O-N 3.31Å; F28-L421 HydrophobicContact CE1-CD2 4.29Å; F28-L421 HydrophobicContact CZ-CD2 3.94Å |
| 29 | V | 96 | Very high | 84.4 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.5 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | V40 D43 A44 M47 F227 A228 M391 Y393 | V29-V40 HydrophobicContact CB-CG1 4.17Å; V29-V40 HydrophobicContact CG1-CG1 4.11Å; V29-D43 HydrophobicContact CG1-CB 4.4Å; V29-D43 HydrophobicContact CG2-CB 4.39Å; V29-A44 HydrophobicContact CG2-CB 4.18Å; V29-M47 HydrophobicContact CG2-CE 3.55Å; V29-M47 HydrophobicContact CG2-SD 4.31Å; V29-F227 CarbonylContact O-C 3.48Å; V29-F227 VanDerWaalsContact O-CA 3.24Å; V29-F227 WeakPolarHBondContact O-CA 3.41Å; V29-A228 PolarHBondContact N-O 3.25Å; V29-A228 PolarHBondContact O-N 2.79Å; V29-M391 HydrophobicContact CG1-CE 3.44Å; V29-M391 VanDerWaalsContact CG1-CE 3.44Å; V29-Y393 HydrophobicContact CB-CD1 4.47Å; V29-Y393 HydrophobicContact CG1-CD1 3.91Å; V29-Y393 HydrophobicContact CG1-CE1 3.74Å; V29-Y393 HydrophobicContact CG2-CD1 3.91Å; V29-Y393 HydrophobicContact CG2-CE1 4.36Å |
| 30 | V | 96.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.2 | 176.9 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | F28 H226 F227 I370 M391 V392 V423 T425 | F28-V30 HydrophobicContact CD2-CB 4.39Å; F28-V30 HydrophobicContact CD2-CG1 4.01Å; F28-V30 HydrophobicContact CE2-CG1 3.7Å; V30-H226 WeakPolarHBondContact CA-O 3.46Å; V30-F227 HydrophobicContact CB-CB 4.12Å; V30-F227 HydrophobicContact CG2-CB 3.98Å; V30-I370 HydrophobicContact CB-CD1 4.42Å; V30-I370 HydrophobicContact CB-CG2 3.86Å; V30-I370 HydrophobicContact CG1-CG2 3.83Å; V30-I370 HydrophobicContact CG2-CG2 3.71Å; V30-M391 WeakPolarHBondContact O-CA 3.39Å; V30-V392 HydrophobicContact CG1-CB 3.85Å; V30-V392 PolarHBondContact N-O 3.09Å; V30-V392 PolarHBondContact O-N 3.22Å; V30-V423 HydrophobicContact CG1-CB 4.31Å; V30-V423 HydrophobicContact CG1-CG1 4.31Å; V30-V423 HydrophobicContact CG1-CG2 4.01Å; V30-V423 HydrophobicContact CG2-CG1 4.39Å; V30-T425 HydrophobicContact CG2-CG2 3.9Å |
| 31 | N | 95.9 | Very high | 87.4 | Confident | 17 Ų | 17 | 24.7 Ų | 24.7 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 118.3 | 161.9 | -176 | -83.4 | 0 | 0 | 0 | 109.5 | K33 G34 V35 H226 D390 M391 | N31-K33 PolarHBondContact O-N 3.43Å; N31-K33 VanDerWaalsContact O-N 3.14Å; N31-K33 PolarHBondContact OD1-N 3.49Å; N31-K33 VanDerWaalsContact OD1-N 3.15Å; N31-G34 PolarHBondContact O-N 3.29Å; N31-G34 PolarHBondContact OD1-N 2.95Å; N31-V35 PolarHBondContact OD1-N 2.82Å; N31-V35 VanDerWaalsContact OD1-N 3.14Å; N31-H226 PolarHBondContact N-O 3.08Å; N31-D390 CarbonylContact C-O 3.57Å; N31-D390 WeakPolarHBondContact CA-O 3.45Å; N31-M391 HydrophobicContact CB-SD 3.87Å |
| 32 | T | 92.9 | Very high | 89 | Confident | 14 Ų | 14 | 29.1 Ų | 29.1 | 9% | 0.086 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.9 | -172.1 | 57.1 | 0 | 0 | 0 | 0 | 113 | D390 V392 V423 T425 G428 | T32-D390 PolarHBondContact N-O 3.09Å; T32-D390 WeakPolarHBondContact OG1-CB 3.49Å; T32-D390 PolarHBondContact OG1-O 3.43Å; T32-V392 HydrophobicContact CG2-CG2 3.59Å; T32-V423 HydrophobicContact CG2-CG1 4.08Å; T32-T425 WeakPolarHBondContact O-CA 3.11Å; T32-G428 CarbonylContact O-C 3.53Å; T32-G428 WeakPolarHBondContact O-CA 3.1Å |
| 33 | K | 92.8 | Very high | 90.6 | Very high | 120 Ų | 120 | 29.8 Ų | 29.8 | 52% | 0.522 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 4.6 | 178 | -65.5 | 178 | 179.4 | 159.5 | 0 | 114 | N31 V35 D390 | N31-K33 PolarHBondContact O-N 3.43Å; N31-K33 VanDerWaalsContact O-N 3.14Å; N31-K33 PolarHBondContact OD1-N 3.49Å; N31-K33 VanDerWaalsContact OD1-N 3.15Å; K33-V35 VanDerWaalsContact C-N 3.28Å; K33-V35 HydrophobicContact CB-CG2 4.24Å; K33-V35 PolarHBondContact O-N 2.76Å; K33-D390 HydrophobicContact CD-CB 4.38Å; K33-D390 WeakPolarHBondContact CD-OD2 3.31Å; K33-D390 VanDerWaalsContact CE-CG 3.44Å; K33-D390 VanDerWaalsContact CE-OD1 3.27Å; K33-D390 WeakPolarHBondContact CE-OD1 3.43Å; K33-D390 VanDerWaalsContact CE-OD2 3.23Å; K33-D390 WeakPolarHBondContact CE-OD2 3.27Å; K33-D390 HydrophobicContact CG-CB 4.44Å; K33-D390 VanDerWaalsContact NZ-CG 3.29Å; K33-D390 IonicContact NZ-OD1 3.34Å; K33-D390 PolarHBondContact NZ-OD1 2.88Å; K33-D390 IonicContact NZ-OD2 3.94Å; K33-D390 PolarHBondContact NZ-OD2 2.96Å |
| 34 | G | 90.9 | Very high | 92.4 | Very high | 24 Ų | 24 | 29.7 Ų | 29.7 | 25% | 0.247 | 15% | 0.15 | C | C | . | . | trans | 72.3 | 16.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N31 R36 H226 | N31-G34 PolarHBondContact O-N 3.29Å; N31-G34 PolarHBondContact OD1-N 2.95Å; G34-R36 PolarHBondContact O-N 3.46Å; G34-H226 WeakPolarHBondContact O-CB 3.44Å | ||
| 35 | V | 93.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | trans | -72.5 | 121.4 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 109.9 | N31 K33 | N31-V35 PolarHBondContact OD1-N 2.82Å; N31-V35 VanDerWaalsContact OD1-N 3.14Å; K33-V35 VanDerWaalsContact C-N 3.28Å; K33-V35 HydrophobicContact CB-CG2 4.24Å; K33-V35 PolarHBondContact O-N 2.76Å | ||
| 36 | R | 93.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | trans | -80.8 | 125.2 | -179.3 | -62.8 | 174.2 | 61.5 | -136.8 | -10.1 | 110.4 | G34 I73 E76 L224 T225 H226 | G34-R36 PolarHBondContact O-N 3.46Å; R36-I73 PolarHBondContact NH2-O 3.15Å; R36-E76 IonicContact CZ-OE1 2.89Å; R36-E76 IonicContact CZ-OE2 3.95Å; R36-E76 IonicContact NH1-OE1 3.22Å; R36-E76 PolarHBondContact NH1-OE1 3.5Å; R36-E76 IonicContact NH1-OE2 3.9Å; R36-E76 PolarHBondContact NH1-OE2 2.84Å; R36-E76 IonicContact NH2-OE1 2.84Å; R36-E76 PolarHBondContact NH2-OE1 2.71Å; R36-E76 IonicContact NH2-OE2 3.88Å; R36-E76 PolarHBondContact NH2-OE2 3.42Å; R36-L224 HydrophobicContact CB-CB 4.18Å; R36-L224 PolarHBondContact NE-O 2.97Å; R36-L224 PolarHBondContact NH2-O 3.38Å; R36-T225 WeakPolarHBondContact CA-O 3.36Å; R36-H226 HydrophobicContact CG-CB 3.89Å | ||
| 37 | S | 94.5 | Very high | 94.2 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 24% | 0.238 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -147.7 | 159.7 | 177.8 | 76.5 | 0 | 0 | 0 | 0 | 111.9 | K39 T225 | S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact OG-N 3.14Å; S37-T225 PolarHBondContact N-O 3.11Å; S37-T225 PolarHBondContact O-N 3.14Å |
| 38 | N | 94.3 | Very high | 94.2 | Very high | 26 Ų | 26 | 35.6 Ų | 35.6 | 14% | 0.139 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -74.6 | -19.3 | 172.8 | -173.6 | -105.7 | 0 | 0 | 0 | 112.4 | V40 L41 K42 F223 L224 | N38-V40 VanDerWaalsContact C-N 3.33Å; N38-V40 PolarHBondContact O-N 3.45Å; N38-L41 PolarHBondContact O-N 3Å; N38-K42 PolarHBondContact O-N 3.26Å; N38-K42 VanDerWaalsContact O-N 3.11Å; N38-K42 WeakPolarHBondContact OD1-CE 3.48Å; N38-K42 PolarHBondContact OD1-NZ 3.32Å; N38-F223 PolarHBondContact ND2-O 2.96Å; N38-L224 HydrophobicContact CB-CD2 4.14Å |
| 39 | K | 93 | Very high | 94 | Very high | 91 Ų | 91 | 38.4 Ų | 38.4 | 40% | 0.396 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 177.6 | 171.8 | 169.1 | 167 | 47.8 | 0 | 111.7 | S37 L41 K42 D43 | S37-K39 VanDerWaalsContact C-N 3.28Å; S37-K39 PolarHBondContact OG-N 3.14Å; K39-L41 PolarHBondContact O-N 3.22Å; K39-K42 PolarHBondContact O-N 3.43Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K39-D43 WeakPolarHBondContact CE-OD2 3.49Å; K39-D43 WeakPolarHBondContact CG-OD2 3.35Å; K39-D43 IonicContact NZ-OD1 2.73Å; K39-D43 PolarHBondContact NZ-OD1 2.87Å; K39-D43 IonicContact NZ-OD2 3.67Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.31Å; K39-D43 PolarHBondContact O-N 3.06Å |
| 40 | V | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.9 | -44 | 176.7 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | V29 N38 A44 T225 A228 M391 | V29-V40 HydrophobicContact CB-CG1 4.17Å; V29-V40 HydrophobicContact CG1-CG1 4.11Å; N38-V40 VanDerWaalsContact C-N 3.33Å; N38-V40 PolarHBondContact O-N 3.45Å; V40-A44 VanDerWaalsContact O-CB 3.28Å; V40-A44 WeakPolarHBondContact O-CB 3.41Å; V40-A44 PolarHBondContact O-N 3.47Å; V40-T225 HydrophobicContact CB-CG2 4.16Å; V40-T225 HydrophobicContact CG1-CG2 4Å; V40-A228 HydrophobicContact CG1-CB 4.06Å; V40-M391 HydrophobicContact CG2-CE 4.04Å; V40-M391 HydrophobicContact CG2-SD 4.46Å |
| 41 | L | 94.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -70.5 | -41.7 | -179.9 | -166.4 | 72.1 | 0 | 0 | 0 | 112.3 | N38 K39 A44 K45 T71 W212 L218 F223 T225 | N38-L41 PolarHBondContact O-N 3Å; K39-L41 PolarHBondContact O-N 3.22Å; L41-A44 PolarHBondContact O-N 2.76Å; L41-K45 PolarHBondContact O-N 2.83Å; L41-T71 HydrophobicContact CD1-CG2 4.19Å; L41-W212 HydrophobicContact CD1-CH2 4.45Å; L41-W212 HydrophobicContact CD1-CZ3 3.87Å; L41-W212 HydrophobicContact CG-CZ3 4.06Å; L41-L218 HydrophobicContact CD1-CD2 4.34Å; L41-F223 HydrophobicContact CD1-CD1 4.34Å; L41-F223 HydrophobicContact CD1-CE1 4.25Å; L41-F223 HydrophobicContact CD2-CB 4.05Å; L41-F223 HydrophobicContact CD2-CD1 3.74Å; L41-F223 HydrophobicContact CD2-CE1 4.39Å; L41-F223 HydrophobicContact CD2-CG 3.93Å; L41-T225 HydrophobicContact CB-CG2 4.5Å |
| 42 | K | 94.2 | Very high | 92.8 | Very high | 131 Ų | 131 | 43.1 Ų | 43.1 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63 | -43.4 | 177.1 | -76.5 | 174.7 | 172.3 | 162.2 | 0 | 112.2 | N38 K39 K45 V46 | N38-K42 PolarHBondContact O-N 3.26Å; N38-K42 VanDerWaalsContact O-N 3.11Å; N38-K42 WeakPolarHBondContact OD1-CE 3.48Å; N38-K42 PolarHBondContact OD1-NZ 3.32Å; K39-K42 PolarHBondContact O-N 3.43Å; K39-K42 VanDerWaalsContact O-N 3.13Å; K42-K45 WeakPolarHBondContact O-CB 3.23Å; K42-K45 PolarHBondContact O-N 3.12Å; K42-V46 PolarHBondContact O-N 3.17Å; K42-V46 VanDerWaalsContact O-N 3.14Å |
| 43 | D | 94.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -39.9 | 178.2 | -63 | -19.6 | 0 | 0 | 0 | 110.9 | V29 K39 K45 V46 M47 Y393 V401 | V29-D43 HydrophobicContact CG1-CB 4.4Å; V29-D43 HydrophobicContact CG2-CB 4.39Å; K39-D43 WeakPolarHBondContact CE-OD2 3.49Å; K39-D43 WeakPolarHBondContact CG-OD2 3.35Å; K39-D43 IonicContact NZ-OD1 2.73Å; K39-D43 PolarHBondContact NZ-OD1 2.87Å; K39-D43 IonicContact NZ-OD2 3.67Å; K39-D43 PolarHBondContact NZ-OD2 3.45Å; K39-D43 VanDerWaalsContact O-CG 3.31Å; K39-D43 PolarHBondContact O-N 3.06Å; D43-K45 VanDerWaalsContact C-N 3.27Å; D43-K45 PolarHBondContact O-N 3.04Å; D43-V46 PolarHBondContact O-N 2.82Å; D43-M47 WeakPolarHBondContact O-CB 3.48Å; D43-M47 PolarHBondContact O-N 2.59Å; D43-Y393 HydrophobicContact CB-CE1 4.02Å; D43-Y393 PolarHBondContact OD2-OH 3.03Å; D43-V401 HydrophobicContact CB-CG1 4.35Å |
| 44 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -34.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V29 V40 L41 L48 A228 V230 | V29-A44 HydrophobicContact CG2-CB 4.18Å; V40-A44 VanDerWaalsContact O-CB 3.28Å; V40-A44 WeakPolarHBondContact O-CB 3.41Å; V40-A44 PolarHBondContact O-N 3.47Å; L41-A44 PolarHBondContact O-N 2.76Å; A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 3.26Å; A44-A228 HydrophobicContact CB-CB 3.73Å; A44-V230 HydrophobicContact CB-CG1 3.87Å |
| 45 | K | 95.2 | Very high | 91 | Very high | 72 Ų | 72 | 38.5 Ų | 38.5 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.4 | -53.1 | 171.4 | 170 | 174 | -179.1 | -178.1 | 0 | 112.4 | L41 K42 D43 M47 L48 E49 W212 | L41-K45 PolarHBondContact O-N 2.83Å; K42-K45 WeakPolarHBondContact O-CB 3.23Å; K42-K45 PolarHBondContact O-N 3.12Å; D43-K45 VanDerWaalsContact C-N 3.27Å; D43-K45 PolarHBondContact O-N 3.04Å; K45-M47 VanDerWaalsContact C-N 3.27Å; K45-M47 PolarHBondContact O-N 3.28Å; K45-L48 PolarHBondContact O-N 3.05Å; K45-E49 WeakPolarHBondContact CE-OE1 3.35Å; K45-E49 IonicContact NZ-OE1 3.06Å; K45-E49 WeakPolarHBondContact O-CG 3.12Å; K45-E49 PolarHBondContact O-N 3.34Å; K45-W212 HydrophobicContact CB-CD2 3.77Å; K45-W212 HydrophobicContact CB-CE3 4.06Å; K45-W212 HydrophobicContact CB-CG 4.39Å; K45-W212 HydrophobicContact CB-CH2 3.97Å; K45-W212 HydrophobicContact CB-CZ2 3.71Å; K45-W212 HydrophobicContact CB-CZ3 4.14Å; K45-W212 HydrophobicContact CD-CB 4.17Å; K45-W212 HydrophobicContact CD-CD2 3.94Å; K45-W212 HydrophobicContact CD-CE3 4.45Å; K45-W212 HydrophobicContact CD-CG 3.75Å; K45-W212 HydrophobicContact CG-CD2 3.79Å; K45-W212 HydrophobicContact CG-CE3 4.46Å; K45-W212 HydrophobicContact CG-CG 3.87Å; K45-W212 HydrophobicContact CG-CZ2 4.34Å |
| 46 | V | 93.9 | Very high | 90 | Very high | 52 Ų | 52 | 35.1 Ų | 35.1 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | K42 D43 L48 E49 R50 | K42-V46 PolarHBondContact O-N 3.17Å; K42-V46 VanDerWaalsContact O-N 3.14Å; D43-V46 PolarHBondContact O-N 2.82Å; V46-L48 PolarHBondContact O-N 2.8Å; V46-E49 PolarHBondContact O-N 3.37Å; V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.09Å |
| 47 | M | 94 | Very high | 89 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57 | -48.1 | 176.3 | 179.6 | -176.7 | -67.8 | 0 | 0 | 112.2 | V29 D43 K45 R50 M51 V230 Y393 V400 V401 | V29-M47 HydrophobicContact CG2-CE 3.55Å; V29-M47 HydrophobicContact CG2-SD 4.31Å; D43-M47 WeakPolarHBondContact O-CB 3.48Å; D43-M47 PolarHBondContact O-N 2.59Å; K45-M47 VanDerWaalsContact C-N 3.27Å; K45-M47 PolarHBondContact O-N 3.28Å; M47-R50 PolarHBondContact O-N 2.85Å; M47-M51 HydrophobicContact CG-CE 4.02Å; M47-M51 WeakPolarHBondContact O-CG 3.15Å; M47-M51 PolarHBondContact O-N 3.02Å; M47-V230 HydrophobicContact CG-CG2 4.34Å; M47-V230 HydrophobicContact SD-CG2 4.02Å; M47-Y393 HydrophobicContact CE-CD1 4.31Å; M47-V400 WeakPolarHBondContact CA-O 3.47Å; M47-V400 HydrophobicContact CB-CB 4.48Å; M47-V400 HydrophobicContact CE-CG2 4.06Å; M47-V400 HydrophobicContact CG-CB 4.03Å; M47-V400 HydrophobicContact CG-CG2 3.89Å; M47-V401 HydrophobicContact CB-CG2 3.91Å; M47-V401 HydrophobicContact CE-CG2 4.21Å |
| 48 | L | 92.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.1 | -43.4 | -179.9 | -174.5 | 60 | 0 | 0 | 0 | 111.8 | A44 K45 V46 R50 M51 T208 L211 W212 V230 N232 | A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 3.26Å; K45-L48 PolarHBondContact O-N 3.05Å; V46-L48 PolarHBondContact O-N 2.8Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 3.23Å; L48-M51 HydrophobicContact CD1-CE 4.37Å; L48-M51 PolarHBondContact O-N 3.27Å; L48-T208 HydrophobicContact CD1-CG2 4.17Å; L48-T208 HydrophobicContact CG-CG2 4.08Å; L48-T208 WeakPolarHBondContact O-CG2 3.45Å; L48-L211 HydrophobicContact CD2-CD2 3.66Å; L48-W212 HydrophobicContact CB-CZ2 4.3Å; L48-W212 HydrophobicContact CD2-CZ2 3.91Å; L48-V230 HydrophobicContact CB-CB 4.19Å; L48-V230 HydrophobicContact CB-CG1 4.43Å; L48-V230 HydrophobicContact CB-CG2 4.26Å; L48-V230 HydrophobicContact CD1-CB 4.2Å; L48-V230 HydrophobicContact CD2-CB 4.38Å; L48-V230 HydrophobicContact CG-CB 4.49Å; L48-N232 HydrophobicContact CD1-CB 3.83Å |
| 49 | E | 91.8 | Very high | 86.4 | Confident | 60 Ų | 60 | 33.2 Ų | 33.2 | 28% | 0.28 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.3 | -31.1 | 178.3 | -70.9 | 179.9 | 170.9 | 0 | 0 | 112.6 | K45 V46 M51 D52 K209 | K45-E49 WeakPolarHBondContact CE-OE1 3.35Å; K45-E49 IonicContact NZ-OE1 3.06Å; K45-E49 WeakPolarHBondContact O-CG 3.12Å; K45-E49 PolarHBondContact O-N 3.34Å; V46-E49 PolarHBondContact O-N 3.37Å; E49-M51 VanDerWaalsContact C-N 3.28Å; E49-M51 PolarHBondContact O-N 3.45Å; E49-D52 WeakPolarHBondContact O-CB 3.39Å; E49-K209 HydrophobicContact CG-CG 4Å |
| 50 | R | 89.3 | Confident | 85.3 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 17% | 0.174 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -0.1 | 174.5 | -71.5 | -167.6 | -175 | 175 | 2.5 | 114.6 | V46 M47 L48 H53 G399 V400 D402 N1335 | V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.09Å; M47-R50 PolarHBondContact O-N 2.85Å; L48-R50 VanDerWaalsContact C-N 3.27Å; L48-R50 PolarHBondContact O-N 3.23Å; R50-H53 PolarHBondContact O-CE1 3.37Å; R50-H53 PolarHBondContact O-ND1 3.42Å; R50-G399 PolarHBondContact NH1-O 3.35Å; R50-V400 WeakPolarHBondContact CD-O 3.36Å; R50-D402 IonicContact CZ-OD1 3.32Å; R50-D402 IonicContact CZ-OD2 3.03Å; R50-D402 IonicContact NH1-OD1 3.86Å; R50-D402 PolarHBondContact NH1-OD1 3.37Å; R50-D402 IonicContact NH1-OD2 3.41Å; R50-D402 IonicContact NH2-OD1 3.56Å; R50-D402 PolarHBondContact NH2-OD1 3.37Å; R50-D402 VanDerWaalsContact NH2-OD1 3.13Å; R50-D402 IonicContact NH2-OD2 2.99Å; R50-D402 PolarHBondContact NH2-OD2 3.03Å; R50-N1335 PolarHBondContact O-ND2 3.1Å |
| 51 | M | 88.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 15 | 172.3 | -67 | -171.5 | -64.7 | 0 | 0 | 112.3 | M47 L48 E49 H53 R54 V230 N232 S395 V400 | M47-M51 HydrophobicContact CG-CE 4.02Å; M47-M51 WeakPolarHBondContact O-CG 3.15Å; M47-M51 PolarHBondContact O-N 3.02Å; L48-M51 HydrophobicContact CD1-CE 4.37Å; L48-M51 PolarHBondContact O-N 3.27Å; E49-M51 VanDerWaalsContact C-N 3.28Å; E49-M51 PolarHBondContact O-N 3.45Å; M51-H53 VanDerWaalsContact C-N 3.25Å; M51-H53 PolarHBondContact O-N 2.84Å; M51-R54 PolarHBondContact O-N 3.23Å; M51-R54 VanDerWaalsContact O-N 3.09Å; M51-V230 HydrophobicContact CE-CG2 4.18Å; M51-N232 PolarHBondContact O-ND2 3.03Å; M51-S395 PolarHBondContact SD-OG 3.48Å; M51-S395 VanDerWaalsContact SD-OG 3.36Å; M51-V400 HydrophobicContact CG-CG1 4.27Å |
| 52 | D | 85.7 | Confident | 83.5 | Confident | 70 Ų | 70 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -59.5 | -36.6 | 179.7 | -162.6 | 56.2 | 0 | 0 | 0 | 112.1 | E49 R54 G55 T208 | E49-D52 WeakPolarHBondContact O-CB 3.39Å; D52-R54 PolarHBondContact O-N 3.1Å; D52-R54 VanDerWaalsContact O-N 3.08Å; D52-G55 PolarHBondContact O-N 3.43Å; D52-T208 HydrophobicContact CB-CG2 4.14Å; D52-T208 WeakPolarHBondContact OD1-CG2 3.28Å; D52-T208 PolarHBondContact OD1-OG1 3.37Å |
| 53 | H | 82.6 | Confident | 82.8 | Confident | 39 Ų | 39 | 36 Ų | 36 | 18% | 0.181 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -67.2 | -8.1 | 177.8 | 63.9 | -90 | 0 | 0 | 0 | 114.9 | R50 M51 E397 | R50-H53 PolarHBondContact O-CE1 3.37Å; R50-H53 PolarHBondContact O-ND1 3.42Å; M51-H53 VanDerWaalsContact C-N 3.25Å; M51-H53 PolarHBondContact O-N 2.84Å; H53-E397 IonicContact CD2-OE1 3.88Å; H53-E397 IonicContact CE1-OE1 3.35Å; H53-E397 IonicContact CE1-OE2 3.22Å; H53-E397 PolarHBondContact CE1-OE2 2.94Å; H53-E397 VanDerWaalsContact CE1-OE2 3.29Å; H53-E397 VanDerWaalsContact NE2-CD 3.35Å; H53-E397 IonicContact NE2-OE1 3.36Å; H53-E397 PolarHBondContact NE2-OE1 2.67Å; H53-E397 IonicContact NE2-OE2 3.97Å; H53-E397 PolarHBondContact NE2-OE2 2.85Å; H53-E397 VanDerWaalsContact NE2-OE2 3.12Å |
| 54 | R | 81.3 | Confident | 82.2 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -99.7 | -2 | 174.4 | -53.2 | -166.8 | 77.7 | -145.2 | 3.1 | 113.1 | C24 M51 D52 S396 E397 E1049 | C24-R54 PolarHBondContact O-NH1 3.5Å; M51-R54 PolarHBondContact O-N 3.23Å; M51-R54 VanDerWaalsContact O-N 3.09Å; D52-R54 PolarHBondContact O-N 3.1Å; D52-R54 VanDerWaalsContact O-N 3.08Å; R54-S396 PolarHBondContact NH1-OG 3.07Å; R54-E397 WeakPolarHBondContact CD-OE1 3.27Å; R54-E397 IonicContact NE-OE1 2.71Å; R54-E1049 IonicContact NH2-OE1 2.81Å |
| 55 | G | 74.1 | Confident | 81.5 | Confident | 16 Ų | 16 | 35.5 Ų | 35.5 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -102.4 | 177.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.2 | D52 N232 | D52-G55 PolarHBondContact O-N 3.43Å; G55-N232 WeakPolarHBondContact CA-ND2 3.23Å; G55-N232 PolarHBondContact N-ND2 2.67Å |
| 56 | A | 73.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 32 Ų | 32 | 10% | 0.099 | 17% | 0.173 | C | C | . | . | trans | -132.5 | 158.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D65 F234 K1086 | A56-D65 PolarHBondContact O-N 3.04Å; A56-F234 HydrophobicContact CB-CD1 3.5Å; A56-F234 VanDerWaalsContact CB-CD1 3.5Å; A56-F234 HydrophobicContact CB-CD2 3.95Å; A56-F234 HydrophobicContact CB-CE1 3.37Å; A56-F234 HydrophobicContact CB-CE2 3.83Å; A56-F234 HydrophobicContact CB-CG 3.79Å; A56-F234 HydrophobicContact CB-CZ 3.55Å; A56-K1086 HydrophobicContact CB-CB 4.32Å | ||
| 57 | C | 72.3 | Confident | 81 | Confident | 41 Ų | 41 | 29.6 Ų | 29.6 | 28% | 0.277 | 16% | 0.158 | S | C | . | . | B | Isolated β-bridge | trans | -105.3 | 159.8 | 169 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | E61 T63 K1086 | C57-E61 PolarHBondContact SG-O 2.61Å; C57-T63 CarbonylContact C-O 3.56Å; C57-T63 WeakPolarHBondContact CA-O 3.45Å; C57-K1086 WeakPolarHBondContact O-CE 3.32Å |
| 58 | A | 67.8 | Low | 81.1 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 16% | 0.158 | C | C | . | . | trans | -71.6 | -158.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D60 T63 T238 | A58-D60 PolarHBondContact O-N 2.87Å; A58-T63 HydrophobicContact CB-CG2 4.09Å; A58-T63 PolarHBondContact N-O 3.24Å; A58-T238 HydrophobicContact CB-CG2 4.35Å | ||
| 59 | C | 66.6 | Low | 81.2 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 22% | 0.223 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22 | 179.3 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | Q1131 R1135 | C59-Q1131 HydrophobicContact CB-CB 4.16Å; C59-R1135 PolarHBondContact O-NH2 2.79Å |
| 60 | D | 68.6 | Low | 81.5 | Confident | 50 Ų | 50 | 26.7 Ų | 26.7 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 9.2 | -172.5 | 64 | -5 | 0 | 0 | 0 | 115.3 | A58 D62 T63 | A58-D60 PolarHBondContact O-N 2.87Å; D60-D62 PolarHBondContact O-N 3.45Å; D60-T63 WeakPolarHBondContact OD1-CB 3.34Å; D60-T63 PolarHBondContact OD1-N 2.99Å; D60-T63 PolarHBondContact OD1-OG1 2.9Å; D60-T63 VanDerWaalsContact OD1-OG1 3.14Å; D60-T63 PolarHBondContact OD2-OG1 2.79Å |
| 61 | E | 71.9 | Confident | 81.9 | Confident | 143 Ų | 143 | 24.5 Ų | 24.5 | 67% | 0.668 | 14% | 0.136 | S | C | * | . | S | Bend | trans | 54.4 | -7.6 | -174.7 | -65.6 | -159.4 | 160 | 0 | 0 | 116.4 | C57 | C57-E61 PolarHBondContact SG-O 2.61Š|
| 62 | D | 80.2 | Confident | 82.2 | Confident | 89 Ų | 89 | 24.7 Ų | 24.7 | 48% | 0.476 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -117 | -17.8 | -173.5 | -146.3 | 10 | 0 | 0 | 0 | 112.8 | D60 Q210 | D60-D62 PolarHBondContact O-N 3.45Å; D62-Q210 PolarHBondContact O-NE2 3.37Å; D62-Q210 PolarHBondContact O-OE1 3.23Å; D62-Q210 PolarHBondContact OD1-NE2 3Å |
| 63 | T | 78.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | trans | -89.2 | 110.8 | 170.7 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | C57 A58 D60 V143 A144 | C57-T63 CarbonylContact C-O 3.56Å; C57-T63 WeakPolarHBondContact CA-O 3.45Å; A58-T63 HydrophobicContact CB-CG2 4.09Å; A58-T63 PolarHBondContact N-O 3.24Å; D60-T63 WeakPolarHBondContact OD1-CB 3.34Å; D60-T63 PolarHBondContact OD1-N 2.99Å; D60-T63 PolarHBondContact OD1-OG1 2.9Å; D60-T63 VanDerWaalsContact OD1-OG1 3.14Å; D60-T63 PolarHBondContact OD2-OG1 2.79Å; T63-V143 HydrophobicContact CG2-CB 4.18Å; T63-V143 HydrophobicContact CG2-CG1 4.42Å; T63-A144 HydrophobicContact CG2-CB 3.91Å; T63-A144 PolarHBondContact OG1-N 3.36Å | ||
| 64 | G | 81.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -78.2 | 149.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G66 L205 | G64-G66 PolarHBondContact O-N 2.99Å; G64-L205 CarbonylContact O-C 3.57Å |
| 65 | D | 80.7 | Confident | 83.8 | Confident | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -64.9 | -18.2 | -178.6 | -73.3 | -5 | 0 | 0 | 0 | 114.9 | A56 L205 R233 S235 K1086 | A56-D65 PolarHBondContact O-N 3.04Å; D65-L205 WeakPolarHBondContact O-CD2 3.24Å; D65-R233 HydrophobicContact CB-CB 4.41Å; D65-R233 WeakPolarHBondContact CB-O 3.42Å; D65-R233 PolarHBondContact O-NH1 3.01Å; D65-S235 PolarHBondContact OD2-N 3.22Å; D65-S235 PolarHBondContact OD2-OG 3.12Å; D65-K1086 IonicContact OD1-NZ 3.53Å; D65-K1086 PolarHBondContact OD1-NZ 3Å; D65-K1086 IonicContact OD2-NZ 3.62Å; D65-K1086 PolarHBondContact OD2-NZ 2.82Å |
| 66 | G | 87.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | 149.8 | 123.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G64 G204 R233 | G64-G66 PolarHBondContact O-N 2.99Å; G66-G204 VanDerWaalsContact CA-O 3.3Å; G66-G204 WeakPolarHBondContact CA-O 3.41Å; G66-R233 WeakPolarHBondContact O-CB 3.26Å; G66-R233 PolarHBondContact O-N 3.19Å | ||
| 67 | S | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.6 | 171 | -69.6 | 0 | 0 | 0 | 0 | 110.5 | G204 F206 H231 N232 | S67-G204 PolarHBondContact N-O 3.16Å; S67-G204 PolarHBondContact O-N 2.69Å; S67-G204 VanDerWaalsContact O-N 3.14Å; S67-F206 PolarHBondContact OG-O 3.49Å; S67-F206 VanDerWaalsContact OG-O 3.12Å; S67-H231 WeakPolarHBondContact CA-O 3.41Å; S67-N232 PolarHBondContact OG-OD1 3.48Å |
| 68 | G | 94.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 172 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y202 V230 H231 H246 P247 | G68-Y202 CarbonylContact C-O 3.36Å; G68-Y202 WeakPolarHBondContact CA-O 3.32Å; G68-V230 WeakPolarHBondContact O-CA 3.5Å; G68-H231 PolarHBondContact N-O 2.91Å; G68-H231 VanDerWaalsContact N-O 3.13Å; G68-H231 PolarHBondContact O-N 2.87Å; G68-H231 VanDerWaalsContact O-N 3.11Å; G68-H246 VanDerWaalsContact CA-O 3.25Å; G68-H246 WeakPolarHBondContact CA-O 3.46Å; G68-H246 PolarHBondContact N-O 3.38Å; G68-P247 VanDerWaalsContact C-CD 3.41Å |
| 69 | V | 96.5 | Very high | 88 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.8 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | T71 Y202 L211 W212 L218 A228 I229 V230 | V69-T71 HydrophobicContact CG2-CG2 3.8Å; V69-Y202 PolarHBondContact N-O 2.95Å; V69-Y202 PolarHBondContact O-N 3.07Å; V69-L211 HydrophobicContact CB-CD2 4.36Å; V69-L211 HydrophobicContact CG1-CD2 4.34Å; V69-W212 HydrophobicContact CB-CH2 4.43Å; V69-W212 HydrophobicContact CG2-CH2 4.37Å; V69-L218 HydrophobicContact CG1-CD1 3.88Å; V69-L218 HydrophobicContact CG1-CD2 3.79Å; V69-A228 HydrophobicContact CG2-CB 4.17Å; V69-I229 CarbonylContact C-O 3.6Å; V69-I229 VanDerWaalsContact CA-O 3.25Å; V69-I229 WeakPolarHBondContact CA-O 3.27Å; V69-V230 HydrophobicContact CB-CG1 4.19Å; V69-V230 HydrophobicContact CG2-CG1 3.84Å |
| 70 | M | 97.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.5 | 167.6 | 177.3 | -170 | -61.4 | 0 | 0 | 108.7 | I200 V201 F227 A228 I229 P247 Q248 R249 | M70-I200 WeakPolarHBondContact CA-O 3.25Å; M70-V201 HydrophobicContact CB-CG2 4.1Å; M70-V201 HydrophobicContact CE-CG2 3.95Å; M70-V201 HydrophobicContact CG-CG2 3.98Å; M70-F227 HydrophobicContact CG-CE2 4.15Å; M70-F227 HydrophobicContact CG-CZ 4.44Å; M70-F227 HydrophobicContact SD-CE2 4.31Å; M70-A228 CarbonylContact O-C 3.6Å; M70-A228 VanDerWaalsContact O-CA 3.29Å; M70-A228 WeakPolarHBondContact O-CA 3.33Å; M70-I229 HydrophobicContact CB-CB 4.27Å; M70-I229 PolarHBondContact N-O 2.96Å; M70-I229 PolarHBondContact O-N 2.79Å; M70-I229 HydrophobicContact SD-CD1 4.01Å; M70-P247 HydrophobicContact CB-CB 4.02Å; M70-P247 HydrophobicContact CB-CG 3.97Å; M70-P247 HydrophobicContact CE-CB 3.96Å; M70-Q248 WeakPolarHBondContact CE-O 3.39Å; M70-R249 WeakPolarHBondContact CE-O 3.16Å |
| 71 | T | 97.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 168.2 | 178.6 | 70 | 0 | 0 | 0 | 0 | 111.1 | L41 V69 R199 I200 F223 T225 F227 A228 | L41-T71 HydrophobicContact CD1-CG2 4.19Å; V69-T71 HydrophobicContact CG2-CG2 3.8Å; T71-R199 WeakPolarHBondContact O-CA 3.44Å; T71-I200 PolarHBondContact N-O 3.33Å; T71-I200 PolarHBondContact O-N 3.4Å; T71-I200 WeakPolarHBondContact OG1-CG2 3.35Å; T71-F223 HydrophobicContact CG2-CE1 3.93Å; T71-F223 HydrophobicContact CG2-CZ 4.2Å; T71-F223 WeakPolarHBondContact OG1-CZ 3.29Å; T71-T225 HydrophobicContact CG2-CG2 4.41Å; T71-F227 VanDerWaalsContact C-CZ 3.49Å; T71-A228 HydrophobicContact CG2-CB 4.26Å |
| 72 | S | 95.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 155.6 | 158.4 | 71.2 | 0 | 0 | 0 | 0 | 110.2 | P74 E198 T225 H226 | S72-P74 WeakPolarHBondContact O-CD 3.35Å; S72-E198 WeakPolarHBondContact CA-O 3.29Å; S72-T225 PolarHBondContact N-OG1 3.15Å; S72-T225 VanDerWaalsContact N-OG1 3.17Å; S72-T225 WeakPolarHBondContact OG-CA 3.28Å; S72-T225 WeakPolarHBondContact OG-CB 3.39Å; S72-T225 PolarHBondContact OG-OG1 2.79Å; S72-H226 WeakPolarHBondContact CB-CE1 3.2Å; S72-H226 VanDerWaalsContact CB-ND1 3.34Å; S72-H226 WeakPolarHBondContact CB-ND1 3.41Å; S72-H226 PolarHBondContact OG-N 3.15Å; S72-H226 PolarHBondContact OG-ND1 3.04Å |
| 73 | I | 95.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -59.4 | 122.9 | 178.2 | -76.4 | 170.2 | 0 | 0 | 0 | 110.3 | R36 Y75 Y78 L92 F95 T97 S197 E198 | R36-I73 PolarHBondContact NH2-O 3.15Å; I73-Y75 VanDerWaalsContact C-N 3.26Å; I73-Y75 PolarHBondContact O-N 3.38Å; I73-Y78 HydrophobicContact CG2-CD2 3.63Å; I73-Y78 HydrophobicContact CG2-CE2 3.68Å; I73-L92 HydrophobicContact CB-CD2 3.8Å; I73-L92 HydrophobicContact CG2-CD2 3.82Å; I73-F95 HydrophobicContact CG2-CE2 4.43Å; I73-F95 HydrophobicContact CG2-CZ 3.92Å; I73-T97 HydrophobicContact CD1-CG2 3.87Å; I73-T97 HydrophobicContact CG1-CG2 4.19Å; I73-S197 VanDerWaalsContact CD1-C 3.45Å; I73-S197 WeakPolarHBondContact CD1-O 3.29Å; I73-E198 PolarHBondContact N-O 2.9Å; I73-E198 VanDerWaalsContact N-O 3.1Å | ||
| 74 | P | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -76.9 | 75.2 | 177.7 | 33.6 | -37.7 | 0 | 0 | 0 | 110.5 | S72 E76 I77 Y78 F223 | S72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-E76 VanDerWaalsContact C-N 3.26Å; P74-E76 PolarHBondContact O-N 2.6Å; P74-E76 VanDerWaalsContact O-N 3.15Å; P74-I77 HydrophobicContact CB-CD1 3.96Å; P74-I77 HydrophobicContact CB-CG1 4.1Å; P74-I77 HydrophobicContact CB-CG2 4.41Å; P74-I77 HydrophobicContact CG-CD1 3.62Å; P74-I77 HydrophobicContact CG-CG1 3.96Å; P74-I77 WeakPolarHBondContact O-CG1 3.44Å; P74-I77 PolarHBondContact O-N 2.6Å; P74-Y78 HydrophobicContact CG-CD1 4.41Å; P74-Y78 HydrophobicContact CG-CE1 3.83Å; P74-Y78 HydrophobicContact CG-CE2 4.06Å; P74-Y78 PolarHBondContact O-N 3.36Å; P74-F223 HydrophobicContact CB-CD1 4Å; P74-F223 HydrophobicContact CB-CD2 3.9Å; P74-F223 HydrophobicContact CB-CE1 3.97Å; P74-F223 HydrophobicContact CB-CE2 3.91Å; P74-F223 HydrophobicContact CB-CG 3.97Å; P74-F223 HydrophobicContact CB-CZ 3.94Å; P74-F223 HydrophobicContact CG-CD2 4.05Å; P74-F223 HydrophobicContact CG-CE1 4.29Å; P74-F223 HydrophobicContact CG-CE2 3.62Å; P74-F223 HydrophobicContact CG-CZ 3.75Å | ||
| 75 | Y | 94.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 30 Ų | 30 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.2 | -35.8 | -170.3 | -177.6 | -117.8 | 0 | 0 | 0 | 114.5 | I73 I77 Y78 L79 L89 P90 L92 F95 | I73-Y75 VanDerWaalsContact C-N 3.26Å; I73-Y75 PolarHBondContact O-N 3.38Å; Y75-I77 PolarHBondContact O-N 3.15Å; Y75-Y78 PolarHBondContact O-N 3.29Å; Y75-L79 HydrophobicContact CD1-CD1 3.97Å; Y75-L79 HydrophobicContact CD1-CG 4.45Å; Y75-L79 HydrophobicContact CE1-CD1 3.58Å; Y75-L79 HydrophobicContact CE1-CD2 4.43Å; Y75-L79 HydrophobicContact CE1-CG 4.08Å; Y75-L79 HydrophobicContact CE2-CD2 4.28Å; Y75-L79 HydrophobicContact CE2-CG 4.19Å; Y75-L79 WeakPolarHBondContact O-CG 3.39Å; Y75-L79 PolarHBondContact O-N 3.24Å; Y75-L89 HydrophobicContact CD2-CD2 4.28Å; Y75-L89 HydrophobicContact CE2-CD2 4.06Å; Y75-P90 VanDerWaalsContact CE2-O 3.31Å; Y75-P90 WeakPolarHBondContact CE2-O 3.48Å; Y75-L92 HydrophobicContact CD1-CD1 4.44Å; Y75-L92 HydrophobicContact CD2-CG 4.04Å; Y75-L92 HydrophobicContact CG-CD1 4.02Å; Y75-L92 HydrophobicContact CG-CG 3.96Å; Y75-F95 AromaticContact CD2-CE1 3.94Å; Y75-F95 HydrophobicContact CD2-CE1 3.94Å; Y75-F95 HydrophobicContact CD2-CZ 4.19Å; Y75-F95 AromaticContact CE2-CE1 3.97Å; Y75-F95 HydrophobicContact CE2-CE1 3.97Å |
| 76 | E | 93.7 | Very high | 93.1 | Very high | 58 Ų | 58 | 37.2 Ų | 37.2 | 27% | 0.271 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.4 | -41.6 | -177.4 | -64.4 | 69.8 | -149.9 | 0 | 0 | 111.7 | R36 P74 L224 | R36-E76 IonicContact CZ-OE1 2.89Å; R36-E76 IonicContact CZ-OE2 3.95Å; R36-E76 IonicContact NH1-OE1 3.22Å; R36-E76 PolarHBondContact NH1-OE1 3.5Å; R36-E76 IonicContact NH1-OE2 3.9Å; R36-E76 PolarHBondContact NH1-OE2 2.84Å; R36-E76 IonicContact NH2-OE1 2.84Å; R36-E76 PolarHBondContact NH2-OE1 2.71Å; R36-E76 IonicContact NH2-OE2 3.88Å; R36-E76 PolarHBondContact NH2-OE2 3.42Å; P74-E76 VanDerWaalsContact C-N 3.26Å; P74-E76 PolarHBondContact O-N 2.6Å; P74-E76 VanDerWaalsContact O-N 3.15Å; E76-L224 HydrophobicContact CG-CD1 4.05Å |
| 77 | I | 93.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.3 | -35 | 178.3 | 90.4 | -178 | 0 | 0 | 0 | 110.4 | P74 Y75 L79 E80 Y81 D217 N222 F223 | P74-I77 HydrophobicContact CB-CD1 3.96Å; P74-I77 HydrophobicContact CB-CG1 4.1Å; P74-I77 HydrophobicContact CB-CG2 4.41Å; P74-I77 HydrophobicContact CG-CD1 3.62Å; P74-I77 HydrophobicContact CG-CG1 3.96Å; P74-I77 WeakPolarHBondContact O-CG1 3.44Å; P74-I77 PolarHBondContact O-N 2.6Å; Y75-I77 PolarHBondContact O-N 3.15Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 3.31Å; I77-E80 WeakPolarHBondContact O-CB 3.29Å; I77-E80 PolarHBondContact O-N 3.01Å; I77-E80 VanDerWaalsContact O-N 3.14Å; I77-Y81 HydrophobicContact CB-CE2 4.42Å; I77-Y81 HydrophobicContact CD1-CE2 3.99Å; I77-Y81 HydrophobicContact CG1-CD2 4.41Å; I77-Y81 HydrophobicContact CG1-CE2 3.77Å; I77-Y81 PolarHBondContact O-N 3.44Å; I77-Y81 VanDerWaalsContact O-N 3.16Å; I77-D217 HydrophobicContact CD1-CB 4.14Å; I77-N222 HydrophobicContact CG2-CB 4.08Å; I77-N222 VanDerWaalsContact CG2-O 3.29Å; I77-N222 WeakPolarHBondContact CG2-O 3.1Å; I77-F223 HydrophobicContact CD1-CD2 3.87Å; I77-F223 HydrophobicContact CD1-CE2 4.24Å |
| 78 | Y | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.8 | -25.8 | -179.7 | -66.8 | -9 | 0 | 0 | 0 | 113 | I73 P74 Y75 E80 Y81 A82 T97 Q153 F155 Y202 | I73-Y78 HydrophobicContact CG2-CD2 3.63Å; I73-Y78 HydrophobicContact CG2-CE2 3.68Å; P74-Y78 HydrophobicContact CG-CD1 4.41Å; P74-Y78 HydrophobicContact CG-CE1 3.83Å; P74-Y78 HydrophobicContact CG-CE2 4.06Å; P74-Y78 PolarHBondContact O-N 3.36Å; Y75-Y78 PolarHBondContact O-N 3.29Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; Y78-Y81 AromaticContact CD1-CD2 3.7Å; Y78-Y81 HydrophobicContact CD1-CD2 3.7Å; Y78-Y81 AromaticContact CD1-CE2 3.98Å; Y78-Y81 HydrophobicContact CD1-CE2 3.98Å; Y78-Y81 HydrophobicContact CE1-CD2 4.27Å; Y78-Y81 HydrophobicContact CE1-CE2 4.22Å; Y78-Y81 PolarHBondContact O-N 3.06Å; Y78-A82 VanDerWaalsContact O-CB 3.27Å; Y78-A82 WeakPolarHBondContact O-CB 3.4Å; Y78-A82 PolarHBondContact O-N 3Å; Y78-T97 HydrophobicContact CD2-CG2 4.28Å; Y78-T97 HydrophobicContact CE2-CG2 3.76Å; Y78-Q153 PolarHBondContact OH-NE2 2.98Å; Y78-F155 HydrophobicContact CD1-CZ 4.4Å; Y78-F155 AromaticContact CD2-CE1 3.88Å; Y78-F155 HydrophobicContact CD2-CE1 3.88Å; Y78-F155 HydrophobicContact CD2-CZ 4.23Å; Y78-F155 HydrophobicContact CE2-CE1 4.43Å; Y78-F155 HydrophobicContact CG-CE1 4.09Å; Y78-F155 HydrophobicContact CG-CZ 4.16Å; Y78-Y202 PolarHBondContact OH-OH 2.74Å |
| 79 | L | 93 | Very high | 92.9 | Very high | 47 Ų | 47 | 45.6 Ų | 45.6 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -36.9 | 168.3 | -79 | 169.5 | 0 | 0 | 0 | 111.9 | Y75 I77 R83 L89 | Y75-L79 HydrophobicContact CD1-CD1 3.97Å; Y75-L79 HydrophobicContact CD1-CG 4.45Å; Y75-L79 HydrophobicContact CE1-CD1 3.58Å; Y75-L79 HydrophobicContact CE1-CD2 4.43Å; Y75-L79 HydrophobicContact CE1-CG 4.08Å; Y75-L79 HydrophobicContact CE2-CD2 4.28Å; Y75-L79 HydrophobicContact CE2-CG 4.19Å; Y75-L79 WeakPolarHBondContact O-CG 3.39Å; Y75-L79 PolarHBondContact O-N 3.24Å; I77-L79 VanDerWaalsContact C-N 3.32Å; I77-L79 PolarHBondContact O-N 3.31Å; L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 3.42Å; L79-R83 VanDerWaalsContact O-N 3.14Å; L79-L89 HydrophobicContact CD2-CB 4.29Å |
| 80 | E | 91.8 | Very high | 92.6 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.5 | -50 | 175.5 | -63.3 | 175.9 | 176.4 | 0 | 0 | 110.1 | I77 Y78 A82 R83 E84 | I77-E80 WeakPolarHBondContact O-CB 3.29Å; I77-E80 PolarHBondContact O-N 3.01Å; I77-E80 VanDerWaalsContact O-N 3.14Å; Y78-E80 VanDerWaalsContact C-N 3.28Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.22Å; E80-R83 WeakPolarHBondContact O-CB 3.21Å; E80-R83 PolarHBondContact O-N 3.13Å; E80-R83 VanDerWaalsContact O-N 3.11Å; E80-E84 PolarHBondContact O-N 3.24Å |
| 81 | Y | 92.1 | Very high | 92.2 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 10% | 0.102 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -36.1 | 179 | -55.8 | -25.4 | 0 | 0 | 0 | 113.2 | I77 Y78 E84 A85 D217 | I77-Y81 HydrophobicContact CB-CE2 4.42Å; I77-Y81 HydrophobicContact CD1-CE2 3.99Å; I77-Y81 HydrophobicContact CG1-CD2 4.41Å; I77-Y81 HydrophobicContact CG1-CE2 3.77Å; I77-Y81 PolarHBondContact O-N 3.44Å; I77-Y81 VanDerWaalsContact O-N 3.16Å; Y78-Y81 AromaticContact CD1-CD2 3.7Å; Y78-Y81 HydrophobicContact CD1-CD2 3.7Å; Y78-Y81 AromaticContact CD1-CE2 3.98Å; Y78-Y81 HydrophobicContact CD1-CE2 3.98Å; Y78-Y81 HydrophobicContact CE1-CD2 4.27Å; Y78-Y81 HydrophobicContact CE1-CE2 4.22Å; Y78-Y81 PolarHBondContact O-N 3.06Å; Y81-E84 PolarHBondContact O-N 2.94Å; Y81-A85 PolarHBondContact O-N 3.4Å; Y81-D217 PolarHBondContact OH-OD1 2.85Å |
| 82 | A | 91.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.008 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y78 E80 A85 N86 V87 L89 F129 | Y78-A82 VanDerWaalsContact O-CB 3.27Å; Y78-A82 WeakPolarHBondContact O-CB 3.4Å; Y78-A82 PolarHBondContact O-N 3Å; E80-A82 VanDerWaalsContact C-N 3.32Å; E80-A82 PolarHBondContact O-N 3.22Å; A82-A85 CarbonylContact O-C 3.54Å; A82-A85 PolarHBondContact O-N 3.02Å; A82-N86 PolarHBondContact O-N 2.93Å; A82-V87 CarbonylContact C-O 3.5Å; A82-V87 VanDerWaalsContact C-O 3.25Å; A82-V87 WeakPolarHBondContact CB-O 3.18Å; A82-V87 PolarHBondContact O-N 3.36Å; A82-L89 HydrophobicContact CB-CB 3.75Å; A82-L89 HydrophobicContact CB-CD1 4.42Å; A82-L89 HydrophobicContact CB-CG 4.47Å; A82-F129 HydrophobicContact CB-CE1 4.13Å; A82-F129 HydrophobicContact CB-CZ 4.15Å |
| 83 | R | 91.5 | Very high | 91.4 | Very high | 175 Ų | 175 | 55.1 Ų | 55.1 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 173.1 | -77.6 | -177.9 | -152 | 144.2 | 7.4 | 111.8 | L79 E80 A85 N86 | L79-R83 WeakPolarHBondContact O-CG 3.46Å; L79-R83 PolarHBondContact O-N 3.42Å; L79-R83 VanDerWaalsContact O-N 3.14Å; E80-R83 WeakPolarHBondContact O-CB 3.21Å; E80-R83 PolarHBondContact O-N 3.13Å; E80-R83 VanDerWaalsContact O-N 3.11Å; R83-A85 PolarHBondContact O-N 3.22Å; R83-N86 PolarHBondContact O-N 3.49Å |
| 84 | E | 89.8 | Confident | 91.2 | Very high | 151 Ų | 151 | 59 Ų | 59 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.4 | -35.4 | 175.2 | -69.9 | 176.8 | 173.8 | 0 | 0 | 112 | E80 Y81 N86 | E80-E84 PolarHBondContact O-N 3.24Å; Y81-E84 PolarHBondContact O-N 2.94Å; E84-N86 VanDerWaalsContact C-N 3.27Å; E84-N86 PolarHBondContact O-N 3.32Å |
| 85 | A | 88.3 | Confident | 91.1 | Very high | 42 Ų | 42 | 59 Ų | 59 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y81 A82 R83 V87 F129 | Y81-A85 PolarHBondContact O-N 3.4Å; A82-A85 CarbonylContact O-C 3.54Å; A82-A85 PolarHBondContact O-N 3.02Å; R83-A85 PolarHBondContact O-N 3.22Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 4.27Å; A85-V87 PolarHBondContact O-N 2.94Å; A85-F129 HydrophobicContact CB-CB 4.31Å; A85-F129 HydrophobicContact CB-CD1 4.41Å; A85-F129 HydrophobicContact CB-CD2 3.75Å; A85-F129 HydrophobicContact CB-CE2 4.12Å; A85-F129 HydrophobicContact CB-CG 3.92Å |
| 86 | N | 92.2 | Very high | 91.1 | Very high | 159 Ų | 159 | 56.9 Ų | 56.9 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 38 | -171.4 | -67.5 | -54.5 | 0 | 0 | 0 | 113.9 | A82 R83 E84 | A82-N86 PolarHBondContact O-N 2.93Å; R83-N86 PolarHBondContact O-N 3.49Å; E84-N86 VanDerWaalsContact C-N 3.27Å; E84-N86 PolarHBondContact O-N 3.32Å |
| 87 | V | 90.6 | Very high | 91.3 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | trans | -120 | 139.5 | 178 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | A82 A85 L128 F129 | A82-V87 CarbonylContact C-O 3.5Å; A82-V87 VanDerWaalsContact C-O 3.25Å; A82-V87 WeakPolarHBondContact CB-O 3.18Å; A82-V87 PolarHBondContact O-N 3.36Å; A85-V87 VanDerWaalsContact C-N 3.28Å; A85-V87 HydrophobicContact CB-CG2 4.27Å; A85-V87 PolarHBondContact O-N 2.94Å; V87-L128 HydrophobicContact CG1-CB 4.28Å; V87-L128 HydrophobicContact CG1-CD1 4.21Å; V87-L128 HydrophobicContact CG1-CD2 4.09Å; V87-L128 HydrophobicContact CG1-CG 4.45Å; V87-F129 HydrophobicContact CB-CD1 4.07Å; V87-F129 HydrophobicContact CB-CE1 4.38Å; V87-F129 HydrophobicContact CG1-CD1 4.16Å; V87-F129 HydrophobicContact CG1-CE1 4.43Å; V87-F129 HydrophobicContact CG2-CB 4.36Å; V87-F129 HydrophobicContact CG2-CD1 3.95Å; V87-F129 HydrophobicContact CG2-CG 4.42Å | ||
| 88 | V | 89.2 | Confident | 91.4 | Very high | 135 Ų | 135 | 54.1 Ų | 54.1 | 82% | 0.818 | 28% | 0.284 | S | S | * | . | trans | -86.9 | 115.7 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 89 | L | 90.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -80.6 | 130.1 | 178.3 | -160 | 69.3 | 0 | 0 | 0 | 110.4 | Y75 L79 A82 F95 L128 F129 F155 | Y75-L89 HydrophobicContact CD2-CD2 4.28Å; Y75-L89 HydrophobicContact CE2-CD2 4.06Å; L79-L89 HydrophobicContact CD2-CB 4.29Å; A82-L89 HydrophobicContact CB-CB 3.75Å; A82-L89 HydrophobicContact CB-CD1 4.42Å; A82-L89 HydrophobicContact CB-CG 4.47Å; L89-F95 HydrophobicContact CD1-CD1 4.42Å; L89-F95 HydrophobicContact CD1-CD2 4.1Å; L89-F95 HydrophobicContact CD1-CE2 4.29Å; L89-F95 HydrophobicContact CD1-CG 4.17Å; L89-F95 HydrophobicContact CD2-CE1 3.95Å; L89-F95 HydrophobicContact CD2-CE2 4.15Å; L89-F95 HydrophobicContact CD2-CZ 3.74Å; L89-F95 HydrophobicContact CG-CD1 4.14Å; L89-F95 HydrophobicContact CG-CE1 4.05Å; L89-F95 HydrophobicContact CG-CE2 4.47Å; L89-F95 HydrophobicContact CG-CG 4.39Å; L89-F95 HydrophobicContact CG-CZ 4.22Å; L89-L128 HydrophobicContact CD1-CD1 4.37Å; L89-F129 HydrophobicContact CD1-CE1 4.36Å; L89-F155 HydrophobicContact CD1-CD1 3.91Å; L89-F155 HydrophobicContact CD1-CE1 4.42Å |
| 90 | P | 89.9 | Confident | 91.6 | Very high | 34 Ų | 34 | 52.1 Ų | 52.1 | 22% | 0.221 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 163.2 | 173.4 | -19.4 | 31.6 | 0 | 0 | 0 | 112.6 | Y75 R94 F95 V157 | Y75-P90 VanDerWaalsContact CE2-O 3.31Å; Y75-P90 WeakPolarHBondContact CE2-O 3.48Å; P90-R94 HydrophobicContact CB-CB 3.87Å; P90-F95 HydrophobicContact CG-CB 4.3Å; P90-F95 VanDerWaalsContact O-CD1 3.27Å; P90-F95 WeakPolarHBondContact O-CD1 3.47Å; P90-F95 WeakPolarHBondContact O-CE1 3.45Å; P90-V157 HydrophobicContact CG-CG1 3.86Å |
| 91 | P | 89.5 | Confident | 91.6 | Very high | 76 Ų | 76 | 48.8 Ų | 48.8 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 155.9 | 170.9 | -21.8 | 32.2 | 0 | 0 | 0 | 113 | G93 R94 | P91-G93 PolarHBondContact O-N 2.94Å; P91-R94 PolarHBondContact O-N 3.26Å |
| 92 | L | 88.1 | Confident | 91.6 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 136.8 | 171.3 | -87.3 | 158.6 | 0 | 0 | 0 | 111.5 | I73 Y75 R94 | I73-L92 HydrophobicContact CB-CD2 3.8Å; I73-L92 HydrophobicContact CG2-CD2 3.82Å; Y75-L92 HydrophobicContact CD1-CD1 4.44Å; Y75-L92 HydrophobicContact CD2-CG 4.04Å; Y75-L92 HydrophobicContact CG-CD1 4.02Å; Y75-L92 HydrophobicContact CG-CG 3.96Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.27Å |
| 93 | G | 86.7 | Confident | 91.1 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -19.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P91 F166 | P91-G93 PolarHBondContact O-N 2.94Å; G93-F166 WeakPolarHBondContact O-CZ 3.37Å |
| 94 | R | 90.4 | Very high | 90.2 | Very high | 84 Ų | 84 | 45 Ų | 45 | 32% | 0.317 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -101 | -1.7 | 178.6 | -70.9 | -164.6 | 173.4 | 174.4 | 2.3 | 115.2 | P90 P91 L92 E163 F166 | P90-R94 HydrophobicContact CB-CB 3.87Å; P91-R94 PolarHBondContact O-N 3.26Å; L92-R94 VanDerWaalsContact C-N 3.33Å; L92-R94 PolarHBondContact O-N 3.27Å; R94-E163 IonicContact CZ-OE1 2.73Å; R94-E163 IonicContact NH1-OE1 3.63Å; R94-E163 PolarHBondContact NH1-OE1 3.4Å; R94-E163 IonicContact NH2-OE1 2.68Å; R94-F166 HydrophobicContact CB-CE2 4.44Å; R94-F166 HydrophobicContact CB-CZ 4.45Å; R94-F166 HydrophobicContact CG-CD1 4.32Å; R94-F166 HydrophobicContact CG-CD2 4.4Å; R94-F166 HydrophobicContact CG-CE1 3.96Å; R94-F166 HydrophobicContact CG-CE2 4.08Å; R94-F166 HydrophobicContact CG-CZ 3.85Å |
| 95 | F | 93.5 | Very high | 89 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 158.5 | 167.8 | 75.1 | -83.5 | 0 | 0 | 0 | 109.1 | I73 Y75 L89 P90 T97 F155 V156 V157 S197 | I73-F95 HydrophobicContact CG2-CE2 4.43Å; I73-F95 HydrophobicContact CG2-CZ 3.92Å; Y75-F95 AromaticContact CD2-CE1 3.94Å; Y75-F95 HydrophobicContact CD2-CE1 3.94Å; Y75-F95 HydrophobicContact CD2-CZ 4.19Å; Y75-F95 AromaticContact CE2-CE1 3.97Å; Y75-F95 HydrophobicContact CE2-CE1 3.97Å; L89-F95 HydrophobicContact CD1-CD1 4.42Å; L89-F95 HydrophobicContact CD1-CD2 4.1Å; L89-F95 HydrophobicContact CD1-CE2 4.29Å; L89-F95 HydrophobicContact CD1-CG 4.17Å; L89-F95 HydrophobicContact CD2-CE1 3.95Å; L89-F95 HydrophobicContact CD2-CE2 4.15Å; L89-F95 HydrophobicContact CD2-CZ 3.74Å; L89-F95 HydrophobicContact CG-CD1 4.14Å; L89-F95 HydrophobicContact CG-CE1 4.05Å; L89-F95 HydrophobicContact CG-CE2 4.47Å; L89-F95 HydrophobicContact CG-CG 4.39Å; L89-F95 HydrophobicContact CG-CZ 4.22Å; P90-F95 HydrophobicContact CG-CB 4.3Å; P90-F95 VanDerWaalsContact O-CD1 3.27Å; P90-F95 WeakPolarHBondContact O-CD1 3.47Å; P90-F95 WeakPolarHBondContact O-CE1 3.45Å; F95-T97 HydrophobicContact CE2-CG2 3.97Å; F95-F155 HydrophobicContact CD2-CD1 4.01Å; F95-F155 AromaticContact CE2-CD1 3.99Å; F95-F155 HydrophobicContact CE2-CD1 3.99Å; F95-F155 HydrophobicContact CE2-CE1 4.1Å; F95-V156 CarbonylContact C-O 3.54Å; F95-V156 WeakPolarHBondContact CA-O 3.38Å; F95-V157 HydrophobicContact CB-CG1 3.8Å; F95-S197 WeakPolarHBondContact O-CA 3.17Å; F95-S197 VanDerWaalsContact O-CB 3.27Å; F95-S197 WeakPolarHBondContact O-CB 3.05Å |
| 96 | A | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | F155 V156 F171 V175 C196 | A96-F155 WeakPolarHBondContact O-CA 3.44Å; A96-V156 HydrophobicContact CB-CG2 3.82Å; A96-V156 PolarHBondContact N-O 2.94Å; A96-V156 PolarHBondContact O-N 2.74Å; A96-F171 HydrophobicContact CB-CE1 4.25Å; A96-F171 HydrophobicContact CB-CZ 4.06Å; A96-V175 HydrophobicContact CB-CB 4.41Å; A96-V175 HydrophobicContact CB-CG1 3.74Å; A96-V175 HydrophobicContact CB-CG2 3.76Å; A96-C196 VanDerWaalsContact CA-O 3.28Å; A96-C196 WeakPolarHBondContact CA-O 3.47Å; A96-C196 WeakPolarHBondContact CB-O 3.25Å |
| 97 | T | 96.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.5 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 110.9 | I73 Y78 F95 Q153 V154 F155 L195 C196 I200 | I73-T97 HydrophobicContact CD1-CG2 3.87Å; I73-T97 HydrophobicContact CG1-CG2 4.19Å; Y78-T97 HydrophobicContact CD2-CG2 4.28Å; Y78-T97 HydrophobicContact CE2-CG2 3.76Å; F95-T97 HydrophobicContact CE2-CG2 3.97Å; T97-Q153 WeakPolarHBondContact OG1-CG 3.43Å; T97-Q153 PolarHBondContact OG1-NE2 2.88Å; T97-V154 WeakPolarHBondContact CA-O 3.5Å; T97-V154 WeakPolarHBondContact CB-O 3.47Å; T97-V154 PolarHBondContact OG1-O 3.43Å; T97-F155 HydrophobicContact CG2-CE1 4.17Å; T97-F155 WeakPolarHBondContact OG1-CE1 3.5Å; T97-L195 WeakPolarHBondContact O-CA 3.42Å; T97-C196 PolarHBondContact N-O 3.45Å; T97-C196 PolarHBondContact O-N 2.94Å; T97-C196 VanDerWaalsContact O-N 3.11Å; T97-I200 HydrophobicContact CG2-CD1 4.42Å |
| 98 | G | 95.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 144.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q153 V154 S194 | G98-Q153 VanDerWaalsContact O-CA 3.26Å; G98-Q153 WeakPolarHBondContact O-CA 3.2Å; G98-V154 PolarHBondContact N-O 2.86Å; G98-V154 PolarHBondContact O-N 3.26Å; G98-S194 CarbonylContact C-O 3.44Å; G98-S194 WeakPolarHBondContact CA-O 2.94Å |
| 99 | I | 96.7 | Very high | 84.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.1 | 173.6 | -67.8 | 173.6 | 0 | 0 | 0 | 109.3 | F101 I151 V152 C193 S194 I200 Y202 | I99-F101 HydrophobicContact CG2-CD1 4.23Å; I99-F101 HydrophobicContact CG2-CE1 3.97Å; I99-I151 HydrophobicContact CG2-CG2 3.6Å; I99-V152 CarbonylContact C-O 3.6Å; I99-V152 WeakPolarHBondContact CA-O 3.23Å; I99-C193 HydrophobicContact CB-CB 4.35Å; I99-C193 HydrophobicContact CG2-CB 4.43Å; I99-C193 WeakPolarHBondContact O-CB 3.38Å; I99-C193 PolarHBondContact O-N 2.99Å; I99-S194 PolarHBondContact N-O 2.65Å; I99-I200 HydrophobicContact CD1-CD1 4.21Å; I99-I200 HydrophobicContact CD1-CG1 4.17Å; I99-I200 HydrophobicContact CG1-CD1 3.93Å; I99-I200 HydrophobicContact CG1-CG1 4.45Å; I99-Y202 HydrophobicContact CD1-CD1 3.83Å; I99-Y202 HydrophobicContact CD1-CE1 3.67Å; I99-Y202 HydrophobicContact CD1-CE2 4.36Å; I99-Y202 HydrophobicContact CD1-CG 4.25Å |
| 100 | I | 94.8 | Very high | 84.2 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 128.2 | 179.9 | -51.1 | -177.9 | 0 | 0 | 0 | 108.5 | F116 W130 V152 V154 C190 Y191 I192 | I100-F116 HydrophobicContact CD1-CD2 4.12Å; I100-F116 HydrophobicContact CD1-CE2 3.8Å; I100-F116 HydrophobicContact CD1-CZ 4.17Å; I100-W130 HydrophobicContact CD1-CH2 4.13Å; I100-W130 HydrophobicContact CD1-CZ3 4Å; I100-V152 HydrophobicContact CB-CG2 3.97Å; I100-V152 PolarHBondContact N-O 3.02Å; I100-V152 PolarHBondContact O-N 3.44Å; I100-V154 HydrophobicContact CD1-CG1 4.19Å; I100-C190 HydrophobicContact CG2-CB 3.83Å; I100-Y191 CarbonylContact C-O 3.52Å; I100-Y191 WeakPolarHBondContact CA-O 3.34Å; I100-I192 HydrophobicContact CD1-CG1 4.38Å; I100-I192 HydrophobicContact CG1-CG1 4.23Å; I100-I192 HydrophobicContact CG1-CG2 4.38Å; I100-I192 HydrophobicContact CG2-CG1 4.29Å |
| 101 | F | 93 | Very high | 84 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.2 | 170.4 | -68.2 | -11.9 | 0 | 0 | 0 | 109.6 | I99 P149 I151 C190 Y191 C193 K203 W242 | I99-F101 HydrophobicContact CG2-CD1 4.23Å; I99-F101 HydrophobicContact CG2-CE1 3.97Å; F101-P149 HydrophobicContact CB-CB 3.76Å; F101-P149 HydrophobicContact CB-CG 3.92Å; F101-P149 HydrophobicContact CD1-CG 3.91Å; F101-P149 HydrophobicContact CD2-CG 3.96Å; F101-P149 HydrophobicContact CE1-CG 4.39Å; F101-P149 HydrophobicContact CE2-CG 4.43Å; F101-P149 HydrophobicContact CG-CB 4.1Å; F101-P149 HydrophobicContact CG-CG 3.67Å; F101-I151 HydrophobicContact CD1-CB 4.49Å; F101-I151 HydrophobicContact CD1-CG1 3.96Å; F101-I151 HydrophobicContact CD1-CG2 4.2Å; F101-I151 HydrophobicContact CE1-CD1 4.06Å; F101-I151 HydrophobicContact CE1-CG1 3.92Å; F101-I151 HydrophobicContact CE1-CG2 4.01Å; F101-C190 CarbonylContact O-C 3.32Å; F101-C190 WeakPolarHBondContact O-CA 3.09Å; F101-C190 WeakPolarHBondContact O-CB 3.28Å; F101-Y191 HydrophobicContact CD2-CD1 4.25Å; F101-Y191 PolarHBondContact N-O 2.83Å; F101-Y191 PolarHBondContact O-N 3.14Å; F101-C193 VanDerWaalsContact CE2-SG 3.51Å; F101-C193 VanDerWaalsContact CZ-SG 3.55Å; F101-K203 HydrophobicContact CE2-CG 4.35Å; F101-K203 HydrophobicContact CZ-CG 4.21Å; F101-K203 WeakPolarHBondContact CZ-O 3.47Å; F101-W242 HydrophobicContact CD2-CB 4.22Å; F101-W242 HydrophobicContact CE2-CB 4.04Å; F101-W242 HydrophobicContact CE2-CE3 4.36Å; F101-W242 HydrophobicContact CZ-CE3 4.24Å |
| 102 | I | 90.6 | Very high | 83.9 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.7 | 172.5 | -62.3 | 175.1 | 0 | 0 | 0 | 107.8 | I109 I112 I150 V152 C190 | I102-I109 HydrophobicContact CD1-CG2 3.97Å; I102-I112 HydrophobicContact CD1-CD1 4.49Å; I102-I112 HydrophobicContact CD1-CG2 4.31Å; I102-I112 HydrophobicContact CG1-CD1 4.41Å; I102-I112 HydrophobicContact CG1-CG2 4.49Å; I102-I112 HydrophobicContact CG2-CD1 3.54Å; I102-I150 HydrophobicContact CB-CB 4.29Å; I102-I150 PolarHBondContact N-O 3.34Å; I102-I150 PolarHBondContact O-N 3Å; I102-V152 HydrophobicContact CD1-CG2 3.98Å; I102-V152 HydrophobicContact CG1-CG2 4.43Å; I102-C190 HydrophobicContact CG1-CB 4.29Å |
| 103 | H | 82.2 | Confident | 84 | Confident | 64 Ų | 64 | 42.7 Ų | 42.7 | 30% | 0.296 | 23% | 0.227 | S | C | . | . | trans | -85.9 | -35.5 | -173.4 | -64.1 | -65.4 | 0 | 0 | 0 | 112.9 | R105 S189 S243 | H103-R105 PolarHBondContact O-N 3.48Å; H103-S189 PolarHBondContact N-O 2.67Å; H103-S189 VanDerWaalsContact N-O 3.08Å; H103-S243 PolarHBondContact CE1-OG 3.47Å; H103-S243 PolarHBondContact NE2-OG 2.92Å; H103-S243 VanDerWaalsContact NE2-OG 3.11Å | ||
| 104 | D | 70.9 | Confident | 84.1 | Confident | 56 Ų | 56 | 49 Ų | 49 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | trans | -85.1 | 102.4 | -176.1 | -177.7 | 12.2 | 0 | 0 | 0 | 111.2 | N106 T107 | D104-N106 PolarHBondContact O-N 3.34Å; D104-N106 WeakPolarHBondContact OD1-CA 3.34Å; D104-N106 WeakPolarHBondContact OD1-CB 3.38Å; D104-N106 PolarHBondContact OD1-N 3.06Å; D104-T107 WeakPolarHBondContact CB-OG1 3.44Å; D104-T107 PolarHBondContact O-N 3.24Å; D104-T107 PolarHBondContact O-OG1 3.48Å; D104-T107 PolarHBondContact OD1-N 3.02Å; D104-T107 PolarHBondContact OD2-N 2.89Å; D104-T107 PolarHBondContact OD2-OG1 3.45Å | ||
| 105 | R | 66.4 | Low | 84.2 | Confident | 136 Ų | 136 | 52.6 Ų | 52.6 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.5 | 175.8 | -63.3 | -177.7 | -178.3 | 175.6 | 2.2 | 113.1 | H103 H145 E148 | H103-R105 PolarHBondContact O-N 3.48Å; R105-H145 PolarHBondContact NH2-O 3.43Å; R105-E148 PolarHBondContact NH2-O 3.1Å |
| 106 | N | 62.8 | Low | 84.2 | Confident | 147 Ų | 147 | 52.7 Ų | 52.7 | 79% | 0.786 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -21 | -178.2 | -56.5 | -58.5 | 0 | 0 | 0 | 113.2 | D104 | D104-N106 PolarHBondContact O-N 3.34Å; D104-N106 WeakPolarHBondContact OD1-CA 3.34Å; D104-N106 WeakPolarHBondContact OD1-CB 3.38Å; D104-N106 PolarHBondContact OD1-N 3.06Å |
| 107 | T | 59.1 | Low | 84.2 | Confident | 45 Ų | 45 | 54.5 Ų | 54.5 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -73.9 | 137.7 | 169.8 | 5.4 | 0 | 0 | 0 | 0 | 109.2 | D104 I109 | D104-T107 WeakPolarHBondContact CB-OG1 3.44Å; D104-T107 PolarHBondContact O-N 3.24Å; D104-T107 PolarHBondContact O-OG1 3.48Å; D104-T107 PolarHBondContact OD1-N 3.02Å; D104-T107 PolarHBondContact OD2-N 2.89Å; D104-T107 PolarHBondContact OD2-OG1 3.45Å; T107-I109 PolarHBondContact O-N 3.28Å |
| 108 | A | 63.2 | Low | 84.1 | Confident | 52 Ų | 52 | 61 Ų | 61 | 43% | 0.43 | 30% | 0.303 | S | S | . | . | trans | -62.7 | 108 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P110 D111 | A108-P110 WeakPolarHBondContact O-CD 3.43Å; A108-D111 WeakPolarHBondContact O-CB 3.39Å; A108-D111 PolarHBondContact O-N 2.89Å | ||
| 109 | I | 80.5 | Confident | 84 | Confident | 52 Ų | 52 | 61.4 Ų | 61.4 | 27% | 0.267 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -35.8 | -42 | 170.7 | -60.3 | 161.1 | 0 | 0 | 0 | 112.5 | I102 T107 D111 I112 M113 I150 | I102-I109 HydrophobicContact CD1-CG2 3.97Å; T107-I109 PolarHBondContact O-N 3.28Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.92Å; I109-I112 PolarHBondContact O-N 3.47Å; I109-M113 HydrophobicContact CG2-CG 4.19Å; I109-M113 HydrophobicContact CG2-SD 3.64Å; I109-M113 WeakPolarHBondContact O-CG 3.36Å; I109-M113 PolarHBondContact O-N 3.43Å; I109-M113 VanDerWaalsContact O-N 3.09Å; I109-I150 HydrophobicContact CD1-CD1 3.44Å; I109-I150 VanDerWaalsContact CD1-CD1 3.44Å; I109-I150 HydrophobicContact CD1-CG2 4.18Å; I109-I150 HydrophobicContact CG1-CD1 3.99Å |
| 110 | P | 83.3 | Confident | 84 | Confident | 86 Ų | 86 | 61.4 Ų | 61.4 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -52 | -36 | 173.7 | -29.5 | 35.6 | 0 | 0 | 0 | 115.7 | A108 M113 K114 | A108-P110 WeakPolarHBondContact O-CD 3.43Å; P110-M113 PolarHBondContact O-N 3.45Å; P110-K114 WeakPolarHBondContact O-CB 3.37Å; P110-K114 PolarHBondContact O-N 2.88Å |
| 111 | D | 86.2 | Confident | 83.9 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | -179.1 | -75 | -25.2 | 0 | 0 | 0 | 111.9 | A108 I109 K114 R115 | A108-D111 WeakPolarHBondContact O-CB 3.39Å; A108-D111 PolarHBondContact O-N 2.89Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.92Å; D111-K114 PolarHBondContact O-N 3.3Å; D111-R115 WeakPolarHBondContact O-CB 2.84Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 2.97Å |
| 112 | I | 86.2 | Confident | 83.9 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 6% | 0.062 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 175.5 | -64.2 | 174 | 0 | 0 | 0 | 109.3 | I102 I109 K114 R115 F116 C190 | I102-I112 HydrophobicContact CD1-CD1 4.49Å; I102-I112 HydrophobicContact CD1-CG2 4.31Å; I102-I112 HydrophobicContact CG1-CD1 4.41Å; I102-I112 HydrophobicContact CG1-CG2 4.49Å; I102-I112 HydrophobicContact CG2-CD1 3.54Å; I109-I112 PolarHBondContact O-N 3.47Å; I112-K114 VanDerWaalsContact C-N 3.29Å; I112-K114 PolarHBondContact O-N 3.14Å; I112-R115 PolarHBondContact O-N 3.11Å; I112-F116 WeakPolarHBondContact O-CB 3.47Å; I112-F116 PolarHBondContact O-N 3.37Å; I112-C190 HydrophobicContact CG2-CB 4.49Å |
| 113 | M | 89.8 | Confident | 84 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 177.6 | -63.8 | 172.2 | 92.1 | 0 | 0 | 112.3 | I109 P110 S117 W130 | I109-M113 HydrophobicContact CG2-CG 4.19Å; I109-M113 HydrophobicContact CG2-SD 3.64Å; I109-M113 WeakPolarHBondContact O-CG 3.36Å; I109-M113 PolarHBondContact O-N 3.43Å; I109-M113 VanDerWaalsContact O-N 3.09Å; P110-M113 PolarHBondContact O-N 3.45Å; M113-S117 WeakPolarHBondContact O-CB 3.42Å; M113-S117 PolarHBondContact O-N 3.08Å; M113-S117 PolarHBondContact O-OG 2.92Å; M113-W130 HydrophobicContact CB-CZ2 4.04Å; M113-W130 HydrophobicContact CE-CB 3.39Å; M113-W130 HydrophobicContact CE-CD2 3.23Å; M113-W130 HydrophobicContact CE-CE3 3.69Å; M113-W130 HydrophobicContact CE-CG 3.1Å; M113-W130 HydrophobicContact CG-CD2 4.37Å; M113-W130 HydrophobicContact CG-CE3 4.46Å; M113-W130 HydrophobicContact CG-CH2 4.31Å; M113-W130 HydrophobicContact CG-CZ2 4.19Å; M113-W130 HydrophobicContact CG-CZ3 4.42Å |
| 114 | K | 90.8 | Very high | 84.4 | Confident | 156 Ų | 156 | 74.2 Ų | 74.2 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -70.2 | -43 | 177.3 | -171 | 178.9 | -176.1 | -179.2 | 0 | 111.8 | P110 D111 I112 S117 K118 | P110-K114 WeakPolarHBondContact O-CB 3.37Å; P110-K114 PolarHBondContact O-N 2.88Å; D111-K114 PolarHBondContact O-N 3.3Å; I112-K114 VanDerWaalsContact C-N 3.29Å; I112-K114 PolarHBondContact O-N 3.14Å; K114-S117 PolarHBondContact O-N 2.87Å; K114-K118 PolarHBondContact O-N 3.45Å |
| 115 | R | 92 | Very high | 85.5 | Confident | 159 Ų | 159 | 71.6 Ų | 71.6 | 60% | 0.6 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.4 | -45.7 | 172.9 | -77.3 | -179.9 | 172.4 | -166.8 | -1.8 | 111.1 | D111 I112 S117 K118 I119 L186 | D111-R115 WeakPolarHBondContact O-CB 2.84Å; D111-R115 WeakPolarHBondContact O-CG 3.36Å; D111-R115 PolarHBondContact O-N 2.97Å; I112-R115 PolarHBondContact O-N 3.11Å; R115-S117 VanDerWaalsContact C-N 3.33Å; R115-S117 PolarHBondContact O-N 2.84Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 3.27Å; R115-K118 VanDerWaalsContact O-N 3.13Å; R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.77Å; R115-L186 HydrophobicContact CB-CD2 4.01Å |
| 116 | F | 93.7 | Very high | 86.7 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.009 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 175.1 | -168.9 | -83.9 | 0 | 0 | 0 | 111 | I100 I112 K118 I119 T120 L127 W130 V154 L178 A182 L186 I192 L195 | I100-F116 HydrophobicContact CD1-CD2 4.12Å; I100-F116 HydrophobicContact CD1-CE2 3.8Å; I100-F116 HydrophobicContact CD1-CZ 4.17Å; I112-F116 WeakPolarHBondContact O-CB 3.47Å; I112-F116 PolarHBondContact O-N 3.37Å; F116-K118 VanDerWaalsContact C-N 3.29Å; F116-K118 PolarHBondContact O-N 3.1Å; F116-I119 WeakPolarHBondContact O-CB 3.48Å; F116-I119 PolarHBondContact O-N 3.4Å; F116-I119 VanDerWaalsContact O-N 3.1Å; F116-T120 PolarHBondContact O-N 3.47Å; F116-T120 PolarHBondContact O-OG1 2.8Å; F116-L127 HydrophobicContact CD1-CD1 4.32Å; F116-W130 HydrophobicContact CB-CH2 4.09Å; F116-W130 HydrophobicContact CB-CZ2 4.13Å; F116-W130 AromaticContact CD1-CH2 3.7Å; F116-W130 HydrophobicContact CD1-CH2 3.7Å; F116-W130 AromaticContact CD1-CZ2 3.7Å; F116-W130 HydrophobicContact CD1-CZ2 3.7Å; F116-W130 HydrophobicContact CE1-CH2 4.29Å; F116-W130 HydrophobicContact CE1-CZ2 4.48Å; F116-W130 AromaticContact CG-CH2 3.86Å; F116-W130 HydrophobicContact CG-CH2 3.86Å; F116-W130 HydrophobicContact CG-CZ2 4.12Å; F116-V154 HydrophobicContact CE1-CG1 4.15Å; F116-V154 HydrophobicContact CE1-CG2 4.06Å; F116-V154 HydrophobicContact CZ-CG1 4.21Å; F116-L178 HydrophobicContact CE1-CD1 4.28Å; F116-L178 HydrophobicContact CE1-CD2 4.31Å; F116-L178 HydrophobicContact CZ-CD1 4.08Å; F116-L178 HydrophobicContact CZ-CD2 4.25Å; F116-L178 HydrophobicContact CZ-CG 4.21Å; F116-A182 HydrophobicContact CD2-CB 3.92Å; F116-A182 HydrophobicContact CE2-CB 3.75Å; F116-L186 HydrophobicContact CB-CD1 4.41Å; F116-L186 HydrophobicContact CD2-CD1 4.26Å; F116-I192 HydrophobicContact CE2-CD1 4.03Å; F116-L195 HydrophobicContact CE2-CD2 4.49Å; F116-L195 HydrophobicContact CZ-CD2 3.78Å |
| 117 | S | 93.3 | Very high | 88.2 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 176.3 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | M113 K114 R115 T120 K121 | M113-S117 WeakPolarHBondContact O-CB 3.42Å; M113-S117 PolarHBondContact O-N 3.08Å; M113-S117 PolarHBondContact O-OG 2.92Å; K114-S117 PolarHBondContact O-N 2.87Å; R115-S117 VanDerWaalsContact C-N 3.33Å; R115-S117 PolarHBondContact O-N 2.84Å; S117-T120 PolarHBondContact O-N 3.11Å; S117-K121 PolarHBondContact O-N 2.81Å; S117-K121 VanDerWaalsContact O-N 3.14Å |
| 118 | K | 94.6 | Very high | 89.8 | Confident | 136 Ų | 136 | 65 Ų | 65 | 59% | 0.591 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.1 | -47.7 | 174.2 | -175.4 | -171.3 | 174.4 | -162.1 | 0 | 110.5 | K114 R115 F116 T120 K121 E122 | K114-K118 PolarHBondContact O-N 3.45Å; R115-K118 WeakPolarHBondContact O-CB 3.46Å; R115-K118 PolarHBondContact O-N 3.27Å; R115-K118 VanDerWaalsContact O-N 3.13Å; F116-K118 VanDerWaalsContact C-N 3.29Å; F116-K118 PolarHBondContact O-N 3.1Å; K118-T120 VanDerWaalsContact C-N 3.31Å; K118-T120 PolarHBondContact O-N 3.39Å; K118-K121 PolarHBondContact O-N 3.31Å; K118-E122 VanDerWaalsContact CE-OE1 3.23Å; K118-E122 WeakPolarHBondContact CE-OE1 3.24Å; K118-E122 IonicContact NZ-OE1 2.9Å; K118-E122 PolarHBondContact O-N 3.45Å |
| 119 | I | 95.1 | Very high | 91.3 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 177.2 | -63.3 | 172.9 | 0 | 0 | 0 | 110.5 | R115 F116 K121 E122 C123 L178 Y181 A182 E185 L186 | R115-I119 WeakPolarHBondContact O-CG1 3.46Å; R115-I119 PolarHBondContact O-N 2.77Å; F116-I119 WeakPolarHBondContact O-CB 3.48Å; F116-I119 PolarHBondContact O-N 3.4Å; F116-I119 VanDerWaalsContact O-N 3.1Å; I119-K121 VanDerWaalsContact C-N 3.33Å; I119-K121 PolarHBondContact O-N 3.32Å; I119-E122 PolarHBondContact O-N 3.05Å; I119-E122 VanDerWaalsContact O-N 3.12Å; I119-C123 PolarHBondContact O-N 3.33Å; I119-C123 PolarHBondContact O-SG 3.28Å; I119-L178 HydrophobicContact CB-CD1 4.29Å; I119-L178 HydrophobicContact CG2-CD1 3.69Å; I119-Y181 HydrophobicContact CG1-CE1 4.39Å; I119-Y181 HydrophobicContact CG2-CD1 3.45Å; I119-Y181 VanDerWaalsContact CG2-CD1 3.45Å; I119-Y181 HydrophobicContact CG2-CE1 3.88Å; I119-Y181 HydrophobicContact CG2-CG 3.99Å; I119-A182 HydrophobicContact CD1-CB 4.28Å; I119-A182 HydrophobicContact CG2-CB 4.39Å; I119-E185 HydrophobicContact CD1-CB 4.08Å; I119-E185 HydrophobicContact CD1-CG 4.5Å; I119-L186 HydrophobicContact CD1-CD1 4.38Å; I119-L186 HydrophobicContact CD1-CG 4.41Å |
| 120 | T | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.4 | -45.9 | 175.2 | -51.2 | 0 | 0 | 0 | 0 | 111.9 | F116 S117 K118 C123 L125 L127 V156 L178 | F116-T120 PolarHBondContact O-N 3.47Å; F116-T120 PolarHBondContact O-OG1 2.8Å; S117-T120 PolarHBondContact O-N 3.11Å; K118-T120 VanDerWaalsContact C-N 3.31Å; K118-T120 PolarHBondContact O-N 3.39Å; T120-C123 PolarHBondContact O-N 2.93Å; T120-L125 HydrophobicContact CG2-CB 3.66Å; T120-L125 PolarHBondContact O-N 3.48Å; T120-L125 VanDerWaalsContact O-N 3.1Å; T120-L127 HydrophobicContact CG2-CB 4.33Å; T120-V156 HydrophobicContact CG2-CG1 4Å; T120-L178 HydrophobicContact CG2-CD2 4.03Å |
| 121 | K | 93.4 | Very high | 92.4 | Very high | 170 Ų | 170 | 60.6 Ų | 60.6 | 74% | 0.739 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -65.3 | -39.9 | 175.5 | -76.8 | -176.4 | 174.5 | -177.5 | 0 | 112.8 | S117 K118 I119 C123 D124 | S117-K121 PolarHBondContact O-N 2.81Å; S117-K121 VanDerWaalsContact O-N 3.14Å; K118-K121 PolarHBondContact O-N 3.31Å; I119-K121 VanDerWaalsContact C-N 3.33Å; I119-K121 PolarHBondContact O-N 3.32Å; K121-C123 PolarHBondContact O-N 2.69Å; K121-D124 PolarHBondContact O-N 3.21Å; K121-D124 VanDerWaalsContact O-N 3.09Å |
| 122 | E | 93.4 | Very high | 92.7 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -22.8 | 176.6 | -72.7 | -178.3 | -158.6 | 0 | 0 | 113.2 | K118 I119 Y181 K286 | K118-E122 VanDerWaalsContact CE-OE1 3.23Å; K118-E122 WeakPolarHBondContact CE-OE1 3.24Å; K118-E122 IonicContact NZ-OE1 2.9Å; K118-E122 PolarHBondContact O-N 3.45Å; I119-E122 PolarHBondContact O-N 3.05Å; I119-E122 VanDerWaalsContact O-N 3.12Å; E122-Y181 HydrophobicContact CB-CE1 4.47Å; E122-Y181 VanDerWaalsContact OE2-CE1 3.23Å; E122-Y181 WeakPolarHBondContact OE2-CE1 3.05Å; E122-Y181 PolarHBondContact OE2-OH 2.77Å; E122-K286 IonicContact OE2-NZ 3.57Å; E122-K286 PolarHBondContact OE2-NZ 3.19Å |
| 123 | C | 92.1 | Very high | 93.1 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 9.7 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | I119 T120 K121 L125 L178 | I119-C123 PolarHBondContact O-N 3.33Å; I119-C123 PolarHBondContact O-SG 3.28Å; T120-C123 PolarHBondContact O-N 2.93Å; K121-C123 PolarHBondContact O-N 2.69Å; C123-L125 VanDerWaalsContact C-N 3.34Å; C123-L125 HydrophobicContact CB-CD1 4.45Å; C123-L125 PolarHBondContact O-N 3.15Å; C123-L178 HydrophobicContact CB-CB 4.11Å |
| 124 | D | 90.4 | Very high | 93.2 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 42.2 | -177.4 | -164.9 | 37 | 0 | 0 | 0 | 113.7 | K121 N159 | K121-D124 PolarHBondContact O-N 3.21Å; K121-D124 VanDerWaalsContact O-N 3.09Å; D124-N159 VanDerWaalsContact O-CB 3.22Å; D124-N159 WeakPolarHBondContact O-CB 3.35Å; D124-N159 WeakPolarHBondContact OD1-CB 3.39Å; D124-N159 PolarHBondContact OD1-ND2 3.34Å |
| 125 | L | 93.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.5 | 175.4 | -67.2 | 173.2 | 0 | 0 | 0 | 110.7 | T120 C123 V157 F171 Q174 V175 L178 | T120-L125 HydrophobicContact CG2-CB 3.66Å; T120-L125 PolarHBondContact O-N 3.48Å; T120-L125 VanDerWaalsContact O-N 3.1Å; C123-L125 VanDerWaalsContact C-N 3.34Å; C123-L125 HydrophobicContact CB-CD1 4.45Å; C123-L125 PolarHBondContact O-N 3.15Å; L125-V157 WeakPolarHBondContact CD2-O 3.37Å; L125-F171 HydrophobicContact CD2-CD2 3.94Å; L125-F171 HydrophobicContact CD2-CE2 3.68Å; L125-Q174 HydrophobicContact CD1-CB 4.28Å; L125-Q174 HydrophobicContact CD2-CB 4.06Å; L125-Q174 HydrophobicContact CG-CB 4.22Å; L125-V175 HydrophobicContact CD1-CG2 4.05Å; L125-L178 HydrophobicContact CD1-CB 3.91Å; L125-L178 HydrophobicContact CD1-CD2 3.66Å; L125-L178 HydrophobicContact CD1-CG 4.43Å |
| 126 | K | 92.5 | Very high | 93.3 | Very high | 105 Ų | 105 | 56.1 Ų | 56.1 | 46% | 0.457 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 127.5 | 175.5 | -179.7 | 179.6 | 179.3 | -179.3 | 0 | 109.9 | V156 V157 | K126-V156 CarbonylContact O-C 3.25Å; K126-V156 VanDerWaalsContact O-CA 3.3Å; K126-V156 WeakPolarHBondContact O-CA 3.26Å; K126-V157 HydrophobicContact CB-CG2 3.93Å; K126-V157 HydrophobicContact CD-CG2 4.37Å; K126-V157 HydrophobicContact CG-CG2 4.35Å; K126-V157 PolarHBondContact N-O 3.43Å; K126-V157 PolarHBondContact O-N 3Å |
| 127 | L | 94.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 22% | 0.22 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 125.8 | 172.4 | -166.8 | 149 | 0 | 0 | 0 | 109.6 | F116 T120 W130 V154 V156 | F116-L127 HydrophobicContact CD1-CD1 4.32Å; T120-L127 HydrophobicContact CG2-CB 4.33Å; L127-W130 HydrophobicContact CD1-CZ2 3.7Å; L127-W130 VanDerWaalsContact CD1-NE1 3.34Å; L127-V154 HydrophobicContact CD1-CG2 3.63Å; L127-V154 HydrophobicContact CG-CG2 3.96Å; L127-V156 HydrophobicContact CG-CG1 4.46Å |
| 128 | L | 92.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -62.4 | 179.4 | -74.7 | 179.2 | 0 | 0 | 0 | 111.7 | V87 L89 F155 V157 | V87-L128 HydrophobicContact CG1-CB 4.28Å; V87-L128 HydrophobicContact CG1-CD1 4.21Å; V87-L128 HydrophobicContact CG1-CD2 4.09Å; V87-L128 HydrophobicContact CG1-CG 4.45Å; L89-L128 HydrophobicContact CD1-CD1 4.37Å; L128-F155 HydrophobicContact CB-CB 4.24Å; L128-F155 PolarHBondContact N-O 3.36Å; L128-V157 HydrophobicContact CD1-CG1 3.5Å; L128-V157 HydrophobicContact CD1-CG2 4.49Å; L128-V157 HydrophobicContact CD2-CG1 4.49Å; L128-V157 HydrophobicContact CD2-CG2 4.06Å; L128-V157 HydrophobicContact CG-CG1 3.94Å; L128-V157 HydrophobicContact CG-CG2 4.05Å |
| 129 | F | 94.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 170.3 | 178.7 | 68.4 | -81.7 | 0 | 0 | 0 | 111.2 | A82 A85 V87 L89 R131 F155 | A82-F129 HydrophobicContact CB-CE1 4.13Å; A82-F129 HydrophobicContact CB-CZ 4.15Å; A85-F129 HydrophobicContact CB-CB 4.31Å; A85-F129 HydrophobicContact CB-CD1 4.41Å; A85-F129 HydrophobicContact CB-CD2 3.75Å; A85-F129 HydrophobicContact CB-CE2 4.12Å; A85-F129 HydrophobicContact CB-CG 3.92Å; V87-F129 HydrophobicContact CB-CD1 4.07Å; V87-F129 HydrophobicContact CB-CE1 4.38Å; V87-F129 HydrophobicContact CG1-CD1 4.16Å; V87-F129 HydrophobicContact CG1-CE1 4.43Å; V87-F129 HydrophobicContact CG2-CB 4.36Å; V87-F129 HydrophobicContact CG2-CD1 3.95Å; V87-F129 HydrophobicContact CG2-CG 4.42Å; L89-F129 HydrophobicContact CD1-CE1 4.36Å; F129-R131 HydrophobicContact CE2-CB 4.45Å; F129-F155 HydrophobicContact CD1-CB 4.1Å; F129-F155 HydrophobicContact CD1-CD2 4.3Å; F129-F155 HydrophobicContact CD1-CG 4.3Å; F129-F155 HydrophobicContact CD2-CD2 4.02Å; F129-F155 HydrophobicContact CD2-CE2 4.42Å; F129-F155 HydrophobicContact CE1-CB 3.9Å; F129-F155 HydrophobicContact CE1-CD1 4.22Å; F129-F155 AromaticContact CE1-CD2 3.8Å; F129-F155 HydrophobicContact CE1-CD2 3.8Å; F129-F155 HydrophobicContact CE1-CE2 4.39Å; F129-F155 AromaticContact CE1-CG 3.71Å; F129-F155 HydrophobicContact CE1-CG 3.71Å; F129-F155 AromaticContact CE2-CD2 3.5Å; F129-F155 HydrophobicContact CE2-CD2 3.5Å; F129-F155 VanDerWaalsContact CE2-CD2 3.5Å; F129-F155 AromaticContact CE2-CE2 3.56Å; F129-F155 HydrophobicContact CE2-CE2 3.56Å; F129-F155 HydrophobicContact CE2-CG 4.26Å; F129-F155 HydrophobicContact CE2-CZ 4.35Å; F129-F155 HydrophobicContact CG-CD2 4.39Å; F129-F155 HydrophobicContact CZ-CB 4.36Å; F129-F155 HydrophobicContact CZ-CD1 4.11Å; F129-F155 AromaticContact CZ-CD2 3.37Å; F129-F155 HydrophobicContact CZ-CD2 3.37Å; F129-F155 HydrophobicContact CZ-CE1 4.24Å; F129-F155 AromaticContact CZ-CE2 3.53Å; F129-F155 HydrophobicContact CZ-CE2 3.53Å; F129-F155 AromaticContact CZ-CG 3.69Å; F129-F155 HydrophobicContact CZ-CG 3.69Å; F129-F155 AromaticContact CZ-CZ 3.97Å; F129-F155 HydrophobicContact CZ-CZ 3.97Å; F129-F155 PolarHBondContact O-N 2.87Å; F129-F155 VanDerWaalsContact O-N 3.09Å |
| 130 | W | 93.5 | Very high | 91.7 | Very high | 57 Ų | 57 | 62.6 Ų | 62.6 | 22% | 0.216 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.8 | 172.7 | -67.6 | 89.2 | 0 | 0 | 0 | 109.9 | I100 M113 F116 L127 V152 Q153 V154 | I100-W130 HydrophobicContact CD1-CH2 4.13Å; I100-W130 HydrophobicContact CD1-CZ3 4Å; M113-W130 HydrophobicContact CB-CZ2 4.04Å; M113-W130 HydrophobicContact CE-CB 3.39Å; M113-W130 HydrophobicContact CE-CD2 3.23Å; M113-W130 HydrophobicContact CE-CE3 3.69Å; M113-W130 HydrophobicContact CE-CG 3.1Å; M113-W130 HydrophobicContact CG-CD2 4.37Å; M113-W130 HydrophobicContact CG-CE3 4.46Å; M113-W130 HydrophobicContact CG-CH2 4.31Å; M113-W130 HydrophobicContact CG-CZ2 4.19Å; M113-W130 HydrophobicContact CG-CZ3 4.42Å; F116-W130 HydrophobicContact CB-CH2 4.09Å; F116-W130 HydrophobicContact CB-CZ2 4.13Å; F116-W130 AromaticContact CD1-CH2 3.7Å; F116-W130 HydrophobicContact CD1-CH2 3.7Å; F116-W130 AromaticContact CD1-CZ2 3.7Å; F116-W130 HydrophobicContact CD1-CZ2 3.7Å; F116-W130 HydrophobicContact CE1-CH2 4.29Å; F116-W130 HydrophobicContact CE1-CZ2 4.48Å; F116-W130 AromaticContact CG-CH2 3.86Å; F116-W130 HydrophobicContact CG-CH2 3.86Å; F116-W130 HydrophobicContact CG-CZ2 4.12Å; L127-W130 HydrophobicContact CD1-CZ2 3.7Å; L127-W130 VanDerWaalsContact CD1-NE1 3.34Å; W130-V152 HydrophobicContact CE3-CB 4.35Å; W130-V152 HydrophobicContact CE3-CG2 4.2Å; W130-V152 HydrophobicContact CZ3-CG2 3.94Å; W130-Q153 CarbonylContact C-O 3.56Å; W130-Q153 WeakPolarHBondContact CA-O 3.29Å; W130-V154 HydrophobicContact CD2-CB 4.15Å; W130-V154 HydrophobicContact CD2-CG2 3.95Å; W130-V154 HydrophobicContact CE3-CB 3.72Å; W130-V154 HydrophobicContact CE3-CG2 4.02Å; W130-V154 HydrophobicContact CH2-CB 3.97Å; W130-V154 HydrophobicContact CH2-CG2 3.91Å; W130-V154 HydrophobicContact CZ2-CB 4.38Å; W130-V154 HydrophobicContact CZ2-CG2 3.84Å; W130-V154 HydrophobicContact CZ3-CB 3.64Å; W130-V154 HydrophobicContact CZ3-CG2 4.02Å |
| 131 | R | 93.2 | Very high | 91.1 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.7 | 175 | 167 | 179.9 | 176.5 | -120.8 | 1.8 | 109.5 | F129 D134 V152 Q153 F155 D217 | F129-R131 HydrophobicContact CE2-CB 4.45Å; R131-D134 IonicContact NH2-OD2 2.76Å; R131-D134 PolarHBondContact NH2-OD2 3.4Å; R131-V152 CarbonylContact O-C 3.54Å; R131-V152 WeakPolarHBondContact O-CA 3.4Å; R131-Q153 HydrophobicContact CB-CB 4.23Å; R131-Q153 PolarHBondContact N-O 3.46Å; R131-Q153 PolarHBondContact O-N 3.34Å; R131-F155 HydrophobicContact CB-CE2 4.41Å; R131-D217 IonicContact CZ-OD1 3.64Å; R131-D217 IonicContact CZ-OD2 3.61Å; R131-D217 IonicContact NH1-OD1 3.17Å; R131-D217 IonicContact NH1-OD2 3.81Å; R131-D217 PolarHBondContact NH1-OD2 3.4Å; R131-D217 VanDerWaalsContact NH2-CG 3.35Å; R131-D217 IonicContact NH2-OD1 2.76Å; R131-D217 PolarHBondContact NH2-OD1 3.06Å; R131-D217 IonicContact NH2-OD2 3.63Å; R131-D217 PolarHBondContact NH2-OD2 2.94Å |
| 132 | M | 92.2 | Very high | 90.6 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 56% | 0.557 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129 | 161.9 | -84.2 | -72.5 | -62.6 | 0 | 0 | 108.1 | I150 V152 | M132-I150 HydrophobicContact CE-CG2 4Å; M132-I150 HydrophobicContact SD-CG2 3.88Å; M132-V152 HydrophobicContact SD-CG1 3.58Å; M132-V152 VanDerWaalsContact SD-CG1 3.58Å |
| 133 | V | 94.2 | Very high | 89.9 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 131.8 | -178.1 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | V135 I151 Q153 Y215 | V133-V135 HydrophobicContact CG1-CG1 4.34Å; V133-V135 PolarHBondContact O-N 3.33Å; V133-I151 HydrophobicContact CB-CB 4.28Å; V133-I151 HydrophobicContact CB-CG2 3.79Å; V133-I151 HydrophobicContact CG1-CG2 4.37Å; V133-I151 HydrophobicContact CG2-CG2 3.74Å; V133-I151 PolarHBondContact N-O 3.21Å; V133-I151 VanDerWaalsContact N-O 3.11Å; V133-Q153 HydrophobicContact CG2-CB 4.05Å; V133-Y215 HydrophobicContact CG1-CD1 3.85Å; V133-Y215 HydrophobicContact CG1-CE1 4.02Å |
| 134 | D | 93 | Very high | 89.6 | Confident | 87 Ų | 87 | 59.2 Ų | 59.2 | 47% | 0.465 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -76.4 | 118.2 | -178.8 | -58.6 | -63.3 | 0 | 0 | 0 | 111.5 | R131 A216 | R131-D134 IonicContact NH2-OD2 2.76Å; R131-D134 PolarHBondContact NH2-OD2 3.4Å; D134-A216 HydrophobicContact CB-CB 3.93Å; D134-A216 PolarHBondContact O-N 2.95Å; D134-A216 VanDerWaalsContact O-N 3.15Å |
| 135 | V | 93.2 | Very high | 89.4 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -130.9 | 146.2 | -174.7 | -61.2 | 0 | 0 | 0 | 0 | 112.9 | V133 K137 I151 Y214 Y215 | V133-V135 HydrophobicContact CG1-CG1 4.34Å; V133-V135 PolarHBondContact O-N 3.33Å; V135-K137 HydrophobicContact CG2-CG 4.25Å; V135-I151 HydrophobicContact CG1-CD1 4.26Å; V135-Y214 CarbonylContact C-O 3.59Å; V135-Y214 VanDerWaalsContact CA-O 3.28Å; V135-Y214 WeakPolarHBondContact CA-O 3.08Å; V135-Y214 HydrophobicContact CB-CD1 4.23Å; V135-Y214 HydrophobicContact CB-CD2 4.47Å; V135-Y214 HydrophobicContact CB-CE1 3.69Å; V135-Y214 HydrophobicContact CB-CE2 3.95Å; V135-Y214 HydrophobicContact CG1-CD1 4.02Å; V135-Y214 HydrophobicContact CG1-CE1 3.35Å; V135-Y214 HydrophobicContact CG2-CE2 4.4Å; V135-Y215 HydrophobicContact CG1-CD1 3.91Å; V135-Y215 HydrophobicContact CG1-CE1 3.99Å |
| 136 | K | 91.6 | Very high | 88.9 | Confident | 114 Ų | 114 | 62.2 Ų | 62.2 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | trans | -99.8 | 95.8 | 174.5 | -61.5 | -173.5 | -165 | 158.7 | 0 | 110.4 | N138 C139 N213 Y214 | K136-N138 VanDerWaalsContact C-N 3.28Å; K136-N138 PolarHBondContact O-N 3.41Å; K136-C139 PolarHBondContact O-SG 3.11Å; K136-N213 WeakPolarHBondContact CD-O 3.42Å; K136-Y214 PolarHBondContact N-O 2.73Å; K136-Y214 WeakPolarHBondContact O-CD2 3.49Å | ||
| 137 | K | 85.1 | Confident | 88.5 | Confident | 98 Ų | 98 | 61.2 Ų | 61.2 | 43% | 0.426 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -66.5 | -22.5 | -172.5 | -58.8 | -169.5 | 172.3 | -133.6 | 0 | 115.7 | V135 C139 E148 | V135-K137 HydrophobicContact CG2-CG 4.25Å; K137-C139 PolarHBondContact O-N 3.35Å; K137-E148 IonicContact NZ-OE1 3.39Å; K137-E148 IonicContact NZ-OE2 2.68Å; K137-E148 PolarHBondContact NZ-OE2 3.17Å |
| 138 | N | 85.7 | Confident | 88.3 | Confident | 169 Ų | 169 | 59.5 Ų | 59.5 | 90% | 0.904 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -80.6 | 3.2 | -170.7 | -59.3 | -6 | 0 | 0 | 0 | 114.2 | K136 | K136-N138 VanDerWaalsContact C-N 3.28Å; K136-N138 PolarHBondContact O-N 3.41Å |
| 139 | C | 84.4 | Confident | 88.2 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 25% | 0.25 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -108.1 | 9.1 | -175.5 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | K136 K137 Q210 | K136-C139 PolarHBondContact O-SG 3.11Å; K137-C139 PolarHBondContact O-N 3.35Å; C139-Q210 VanDerWaalsContact O-CG 3.26Å; C139-Q210 WeakPolarHBondContact O-CG 3.44Å; C139-Q210 PolarHBondContact O-NE2 2.67Å |
| 140 | I | 87.8 | Confident | 88.1 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -116.1 | 155 | 179.4 | 60.7 | 174.1 | 0 | 0 | 0 | 111.7 | A144 H145 F206 Y214 W242 | I140-A144 HydrophobicContact CB-CB 4.19Å; I140-A144 HydrophobicContact CD1-CB 4.27Å; I140-H145 HydrophobicContact CD1-CB 4.02Å; I140-H145 HydrophobicContact CG1-CB 4.23Å; I140-F206 HydrophobicContact CG2-CD1 3.65Å; I140-F206 HydrophobicContact CG2-CE1 3.69Å; I140-Y214 HydrophobicContact CD1-CE2 4.34Å; I140-Y214 HydrophobicContact CG2-CD2 3.96Å; I140-Y214 HydrophobicContact CG2-CE2 4.45Å; I140-W242 HydrophobicContact CD1-CH2 4.48Å; I140-W242 HydrophobicContact CD1-CZ2 4.07Å |
| 141 | G | 82.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -65 | 164.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | V143 A144 H145 | G141-V143 VanDerWaalsContact C-N 3.31Å; G141-V143 PolarHBondContact O-N 3.34Å; G141-A144 PolarHBondContact O-N 3.06Å; G141-H145 WeakPolarHBondContact O-CB 3.42Å; G141-H145 PolarHBondContact O-N 2.88Å | ||
| 142 | I | 82 | Confident | 88.1 | Confident | 149 Ų | 149 | 55.5 Ų | 55.5 | 76% | 0.764 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.1 | -41.1 | -175.1 | -63.8 | 172.1 | 0 | 0 | 0 | 110.6 | H145 S146 | I142-H145 PolarHBondContact O-N 3.02Å; I142-S146 PolarHBondContact O-N 3.3Å; I142-S146 VanDerWaalsContact O-N 3.15Å |
| 143 | V | 79.8 | Confident | 88.3 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 20% | 0.2 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.9 | -47.6 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | T63 G141 H145 S146 P240 | T63-V143 HydrophobicContact CG2-CB 4.18Å; T63-V143 HydrophobicContact CG2-CG1 4.42Å; G141-V143 VanDerWaalsContact C-N 3.31Å; G141-V143 PolarHBondContact O-N 3.34Å; V143-H145 VanDerWaalsContact C-N 3.32Å; V143-H145 PolarHBondContact O-N 3.23Å; V143-S146 PolarHBondContact O-N 3.38Å; V143-S146 PolarHBondContact O-OG 3.12Å; V143-P240 HydrophobicContact CG1-CB 3.9Å; V143-P240 HydrophobicContact CG1-CG 3.62Å |
| 144 | A | 84.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T63 I140 G141 S146 E147 E148 L205 W242 | T63-A144 HydrophobicContact CG2-CB 3.91Å; T63-A144 PolarHBondContact OG1-N 3.36Å; I140-A144 HydrophobicContact CB-CB 4.19Å; I140-A144 HydrophobicContact CD1-CB 4.27Å; G141-A144 PolarHBondContact O-N 3.06Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.22Å; A144-E147 PolarHBondContact O-N 3.36Å; A144-E148 PolarHBondContact O-N 3.04Å; A144-L205 HydrophobicContact CB-CB 3.93Å; A144-W242 PolarHBondContact O-NE1 2.88Å |
| 145 | H | 87.2 | Confident | 88.5 | Confident | 83 Ų | 83 | 45.7 Ų | 45.7 | 38% | 0.384 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.6 | -31.9 | -179.9 | -175 | -84.7 | 0 | 0 | 0 | 112.8 | R105 I140 G141 I142 V143 E147 E148 | R105-H145 PolarHBondContact NH2-O 3.43Å; I140-H145 HydrophobicContact CD1-CB 4.02Å; I140-H145 HydrophobicContact CG1-CB 4.23Å; G141-H145 WeakPolarHBondContact O-CB 3.42Å; G141-H145 PolarHBondContact O-N 2.88Å; I142-H145 PolarHBondContact O-N 3.02Å; V143-H145 VanDerWaalsContact C-N 3.32Å; V143-H145 PolarHBondContact O-N 3.23Å; H145-E147 VanDerWaalsContact C-N 3.3Å; H145-E147 PolarHBondContact O-N 3.43Å; H145-E148 WeakPolarHBondContact O-CB 3.41Å; H145-E148 PolarHBondContact O-N 3.3Å |
| 146 | S | 83.5 | Confident | 88.6 | Confident | 64 Ų | 64 | 43.7 Ų | 43.7 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -35.4 | -179.4 | 73.5 | 0 | 0 | 0 | 0 | 113 | I142 V143 A144 | I142-S146 PolarHBondContact O-N 3.3Å; I142-S146 VanDerWaalsContact O-N 3.15Å; V143-S146 PolarHBondContact O-N 3.38Å; V143-S146 PolarHBondContact O-OG 3.12Å; A144-S146 VanDerWaalsContact C-N 3.32Å; A144-S146 PolarHBondContact O-N 3.22Å |
| 147 | E | 83.8 | Confident | 88.7 | Confident | 83 Ų | 83 | 39 Ų | 39 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.3 | 179 | -65.4 | -56.6 | 138.2 | 0 | 0 | 113.7 | A144 H145 P149 P240 W242 | A144-E147 PolarHBondContact O-N 3.36Å; H145-E147 VanDerWaalsContact C-N 3.3Å; H145-E147 PolarHBondContact O-N 3.43Å; E147-P149 WeakPolarHBondContact O-CD 3.36Å; E147-P240 HydrophobicContact CB-CB 4.38Å; E147-P240 HydrophobicContact CB-CG 4.47Å; E147-P240 HydrophobicContact CG-CB 4.06Å; E147-P240 HydrophobicContact CG-CG 3.64Å; E147-W242 PolarHBondContact O-NE1 2.97Å |
| 148 | E | 89.7 | Confident | 88.9 | Confident | 7 Ų | 7 | 36.3 Ų | 36.3 | 3% | 0.033 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 120.2 | -179 | -172.8 | -166.5 | -148.1 | 0 | 0 | 110.8 | R105 K137 A144 H145 Y214 W242 | R105-E148 PolarHBondContact NH2-O 3.1Å; K137-E148 IonicContact NZ-OE1 3.39Å; K137-E148 IonicContact NZ-OE2 2.68Å; K137-E148 PolarHBondContact NZ-OE2 3.17Å; A144-E148 PolarHBondContact O-N 3.04Å; H145-E148 WeakPolarHBondContact O-CB 3.41Å; H145-E148 PolarHBondContact O-N 3.3Å; E148-Y214 PolarHBondContact OE1-OH 3.49Å; E148-W242 HydrophobicContact CB-CZ2 4.04Å; E148-W242 HydrophobicContact CG-CH2 4.13Å; E148-W242 HydrophobicContact CG-CZ2 3.9Å |
| 149 | P | 90.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 4% | 0.039 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 164.7 | 176.5 | 32.3 | -34 | 0 | 0 | 0 | 111.4 | F101 E147 I151 W242 | F101-P149 HydrophobicContact CB-CB 3.76Å; F101-P149 HydrophobicContact CB-CG 3.92Å; F101-P149 HydrophobicContact CD1-CG 3.91Å; F101-P149 HydrophobicContact CD2-CG 3.96Å; F101-P149 HydrophobicContact CE1-CG 4.39Å; F101-P149 HydrophobicContact CE2-CG 4.43Å; F101-P149 HydrophobicContact CG-CB 4.1Å; F101-P149 HydrophobicContact CG-CG 3.67Å; E147-P149 WeakPolarHBondContact O-CD 3.36Å; P149-I151 HydrophobicContact CG-CG1 4.26Å; P149-W242 HydrophobicContact CG-CB 4.25Å; P149-W242 HydrophobicContact CG-CD2 4.11Å; P149-W242 HydrophobicContact CG-CE3 4.09Å; P149-W242 HydrophobicContact CG-CG 4.18Å |
| 150 | I | 91.4 | Very high | 88.1 | Confident | 42 Ų | 42 | 33.4 Ų | 33.4 | 22% | 0.215 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122.7 | 165 | -57 | -178.6 | 0 | 0 | 0 | 107.9 | I102 I109 M132 V152 | I102-I150 HydrophobicContact CB-CB 4.29Å; I102-I150 PolarHBondContact N-O 3.34Å; I102-I150 PolarHBondContact O-N 3Å; I109-I150 HydrophobicContact CD1-CD1 3.44Å; I109-I150 VanDerWaalsContact CD1-CD1 3.44Å; I109-I150 HydrophobicContact CD1-CG2 4.18Å; I109-I150 HydrophobicContact CG1-CD1 3.99Å; M132-I150 HydrophobicContact CE-CG2 4Å; M132-I150 HydrophobicContact SD-CG2 3.88Å; I150-V152 HydrophobicContact CG2-CG1 4.36Å |
| 151 | I | 94 | Very high | 86.7 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.8 | -172.2 | -51.3 | 178.5 | 0 | 0 | 0 | 109.3 | I99 F101 V133 V135 P149 Y214 Y215 W242 | I99-I151 HydrophobicContact CG2-CG2 3.6Å; F101-I151 HydrophobicContact CD1-CB 4.49Å; F101-I151 HydrophobicContact CD1-CG1 3.96Å; F101-I151 HydrophobicContact CD1-CG2 4.2Å; F101-I151 HydrophobicContact CE1-CD1 4.06Å; F101-I151 HydrophobicContact CE1-CG1 3.92Å; F101-I151 HydrophobicContact CE1-CG2 4.01Å; V133-I151 HydrophobicContact CB-CB 4.28Å; V133-I151 HydrophobicContact CB-CG2 3.79Å; V133-I151 HydrophobicContact CG1-CG2 4.37Å; V133-I151 HydrophobicContact CG2-CG2 3.74Å; V133-I151 PolarHBondContact N-O 3.21Å; V133-I151 VanDerWaalsContact N-O 3.11Å; V135-I151 HydrophobicContact CG1-CD1 4.26Å; P149-I151 HydrophobicContact CG-CG1 4.26Å; I151-Y214 HydrophobicContact CD1-CE1 4Å; I151-Y215 HydrophobicContact CD1-CE1 3.99Å; I151-W242 HydrophobicContact CD1-CZ3 4.3Å |
| 152 | V | 94.2 | Very high | 85.7 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.8 | 177.7 | -64 | 0 | 0 | 0 | 0 | 111 | I99 I100 I102 W130 R131 M132 I150 | I99-V152 CarbonylContact C-O 3.6Å; I99-V152 WeakPolarHBondContact CA-O 3.23Å; I100-V152 HydrophobicContact CB-CG2 3.97Å; I100-V152 PolarHBondContact N-O 3.02Å; I100-V152 PolarHBondContact O-N 3.44Å; I102-V152 HydrophobicContact CD1-CG2 3.98Å; I102-V152 HydrophobicContact CG1-CG2 4.43Å; W130-V152 HydrophobicContact CE3-CB 4.35Å; W130-V152 HydrophobicContact CE3-CG2 4.2Å; W130-V152 HydrophobicContact CZ3-CG2 3.94Å; R131-V152 CarbonylContact O-C 3.54Å; R131-V152 WeakPolarHBondContact O-CA 3.4Å; M132-V152 HydrophobicContact SD-CG1 3.58Å; M132-V152 VanDerWaalsContact SD-CG1 3.58Å; I150-V152 HydrophobicContact CG2-CG1 4.36Å |
| 153 | Q | 95.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.6 | 176.2 | -175.9 | 178.2 | 11 | 0 | 0 | 109.9 | Y78 T97 G98 W130 R131 V133 F155 | Y78-Q153 PolarHBondContact OH-NE2 2.98Å; T97-Q153 WeakPolarHBondContact OG1-CG 3.43Å; T97-Q153 PolarHBondContact OG1-NE2 2.88Å; G98-Q153 VanDerWaalsContact O-CA 3.26Å; G98-Q153 WeakPolarHBondContact O-CA 3.2Å; W130-Q153 CarbonylContact C-O 3.56Å; W130-Q153 WeakPolarHBondContact CA-O 3.29Å; R131-Q153 HydrophobicContact CB-CB 4.23Å; R131-Q153 PolarHBondContact N-O 3.46Å; R131-Q153 PolarHBondContact O-N 3.34Å; V133-Q153 HydrophobicContact CG2-CB 4.05Å; Q153-F155 HydrophobicContact CG-CD2 4.48Å; Q153-F155 HydrophobicContact CG-CE2 3.77Å; Q153-F155 HydrophobicContact CG-CZ 4.14Å; Q153-F155 VanDerWaalsContact NE2-CZ 3.35Å |
| 154 | V | 95.7 | Very high | 84 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 147.6 | 178.8 | 68.5 | 0 | 0 | 0 | 0 | 111 | T97 G98 I100 F116 L127 W130 V156 L195 | T97-V154 WeakPolarHBondContact CA-O 3.5Å; T97-V154 WeakPolarHBondContact CB-O 3.47Å; T97-V154 PolarHBondContact OG1-O 3.43Å; G98-V154 PolarHBondContact N-O 2.86Å; G98-V154 PolarHBondContact O-N 3.26Å; I100-V154 HydrophobicContact CD1-CG1 4.19Å; F116-V154 HydrophobicContact CE1-CG1 4.15Å; F116-V154 HydrophobicContact CE1-CG2 4.06Å; F116-V154 HydrophobicContact CZ-CG1 4.21Å; L127-V154 HydrophobicContact CD1-CG2 3.63Å; L127-V154 HydrophobicContact CG-CG2 3.96Å; W130-V154 HydrophobicContact CD2-CB 4.15Å; W130-V154 HydrophobicContact CD2-CG2 3.95Å; W130-V154 HydrophobicContact CE3-CB 3.72Å; W130-V154 HydrophobicContact CE3-CG2 4.02Å; W130-V154 HydrophobicContact CH2-CB 3.97Å; W130-V154 HydrophobicContact CH2-CG2 3.91Å; W130-V154 HydrophobicContact CZ2-CB 4.38Å; W130-V154 HydrophobicContact CZ2-CG2 3.84Å; W130-V154 HydrophobicContact CZ3-CB 3.64Å; W130-V154 HydrophobicContact CZ3-CG2 4.02Å; V154-V156 HydrophobicContact CG2-CG1 4.18Å; V154-L195 HydrophobicContact CG1-CD1 3.76Å |
| 155 | F | 96.4 | Very high | 83.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126.4 | 173.8 | -66.6 | -99.2 | 0 | 0 | 0 | 110.1 | Y78 L89 F95 A96 T97 L128 F129 R131 Q153 | Y78-F155 HydrophobicContact CD1-CZ 4.4Å; Y78-F155 AromaticContact CD2-CE1 3.88Å; Y78-F155 HydrophobicContact CD2-CE1 3.88Å; Y78-F155 HydrophobicContact CD2-CZ 4.23Å; Y78-F155 HydrophobicContact CE2-CE1 4.43Å; Y78-F155 HydrophobicContact CG-CE1 4.09Å; Y78-F155 HydrophobicContact CG-CZ 4.16Å; L89-F155 HydrophobicContact CD1-CD1 3.91Å; L89-F155 HydrophobicContact CD1-CE1 4.42Å; F95-F155 HydrophobicContact CD2-CD1 4.01Å; F95-F155 AromaticContact CE2-CD1 3.99Å; F95-F155 HydrophobicContact CE2-CD1 3.99Å; F95-F155 HydrophobicContact CE2-CE1 4.1Å; A96-F155 WeakPolarHBondContact O-CA 3.44Å; T97-F155 HydrophobicContact CG2-CE1 4.17Å; T97-F155 WeakPolarHBondContact OG1-CE1 3.5Å; L128-F155 HydrophobicContact CB-CB 4.24Å; L128-F155 PolarHBondContact N-O 3.36Å; F129-F155 HydrophobicContact CD1-CB 4.1Å; F129-F155 HydrophobicContact CD1-CD2 4.3Å; F129-F155 HydrophobicContact CD1-CG 4.3Å; F129-F155 HydrophobicContact CD2-CD2 4.02Å; F129-F155 HydrophobicContact CD2-CE2 4.42Å; F129-F155 HydrophobicContact CE1-CB 3.9Å; F129-F155 HydrophobicContact CE1-CD1 4.22Å; F129-F155 AromaticContact CE1-CD2 3.8Å; F129-F155 HydrophobicContact CE1-CD2 3.8Å; F129-F155 HydrophobicContact CE1-CE2 4.39Å; F129-F155 AromaticContact CE1-CG 3.71Å; F129-F155 HydrophobicContact CE1-CG 3.71Å; F129-F155 AromaticContact CE2-CD2 3.5Å; F129-F155 HydrophobicContact CE2-CD2 3.5Å; F129-F155 VanDerWaalsContact CE2-CD2 3.5Å; F129-F155 AromaticContact CE2-CE2 3.56Å; F129-F155 HydrophobicContact CE2-CE2 3.56Å; F129-F155 HydrophobicContact CE2-CG 4.26Å; F129-F155 HydrophobicContact CE2-CZ 4.35Å; F129-F155 HydrophobicContact CG-CD2 4.39Å; F129-F155 HydrophobicContact CZ-CB 4.36Å; F129-F155 HydrophobicContact CZ-CD1 4.11Å; F129-F155 AromaticContact CZ-CD2 3.37Å; F129-F155 HydrophobicContact CZ-CD2 3.37Å; F129-F155 HydrophobicContact CZ-CE1 4.24Å; F129-F155 AromaticContact CZ-CE2 3.53Å; F129-F155 HydrophobicContact CZ-CE2 3.53Å; F129-F155 AromaticContact CZ-CG 3.69Å; F129-F155 HydrophobicContact CZ-CG 3.69Å; F129-F155 AromaticContact CZ-CZ 3.97Å; F129-F155 HydrophobicContact CZ-CZ 3.97Å; F129-F155 PolarHBondContact O-N 2.87Å; F129-F155 VanDerWaalsContact O-N 3.09Å; R131-F155 HydrophobicContact CB-CE2 4.41Å; Q153-F155 HydrophobicContact CG-CD2 4.48Å; Q153-F155 HydrophobicContact CG-CE2 3.77Å; Q153-F155 HydrophobicContact CG-CZ 4.14Å; Q153-F155 VanDerWaalsContact NE2-CZ 3.35Å |
| 156 | V | 95.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.9 | -178.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | F95 A96 T120 K126 L127 V154 L178 | F95-V156 CarbonylContact C-O 3.54Å; F95-V156 WeakPolarHBondContact CA-O 3.38Å; A96-V156 HydrophobicContact CB-CG2 3.82Å; A96-V156 PolarHBondContact N-O 2.94Å; A96-V156 PolarHBondContact O-N 2.74Å; T120-V156 HydrophobicContact CG2-CG1 4Å; K126-V156 CarbonylContact O-C 3.25Å; K126-V156 VanDerWaalsContact O-CA 3.3Å; K126-V156 WeakPolarHBondContact O-CA 3.26Å; L127-V156 HydrophobicContact CG-CG1 4.46Å; V154-V156 HydrophobicContact CG2-CG1 4.18Å; V156-L178 HydrophobicContact CG1-CD2 4.25Å; V156-L178 HydrophobicContact CG2-CD2 4.38Å |
| 157 | V | 93.2 | Very high | 82.3 | Confident | 17 Ų | 17 | 56.2 Ų | 56.2 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 166 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | P90 F95 L125 K126 L128 | P90-V157 HydrophobicContact CG-CG1 3.86Å; F95-V157 HydrophobicContact CB-CG1 3.8Å; L125-V157 WeakPolarHBondContact CD2-O 3.37Å; K126-V157 HydrophobicContact CB-CG2 3.93Å; K126-V157 HydrophobicContact CD-CG2 4.37Å; K126-V157 HydrophobicContact CG-CG2 4.35Å; K126-V157 PolarHBondContact N-O 3.43Å; K126-V157 PolarHBondContact O-N 3Å; L128-V157 HydrophobicContact CD1-CG1 3.5Å; L128-V157 HydrophobicContact CD1-CG2 4.49Å; L128-V157 HydrophobicContact CD2-CG1 4.49Å; L128-V157 HydrophobicContact CD2-CG2 4.06Å; L128-V157 HydrophobicContact CG-CG1 3.94Å; L128-V157 HydrophobicContact CG-CG2 4.05Å |
| 158 | Q | 88.6 | Confident | 82 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 144.7 | 172.8 | -164.2 | 174.1 | 7.5 | 0 | 0 | 110.4 | S160 F171 | Q158-S160 PolarHBondContact O-N 2.71Å; Q158-F171 HydrophobicContact CB-CD2 3.88Å; Q158-F171 HydrophobicContact CB-CE2 4.19Å; Q158-F171 HydrophobicContact CG-CD2 4.49Å |
| 159 | N | 82.3 | Confident | 81.5 | Confident | 90 Ų | 90 | 58 Ų | 58 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -78.5 | 21.3 | -177.3 | -164.7 | 33 | 0 | 0 | 0 | 114.1 | D124 | D124-N159 VanDerWaalsContact O-CB 3.22Å; D124-N159 WeakPolarHBondContact O-CB 3.35Å; D124-N159 WeakPolarHBondContact OD1-CB 3.39Å; D124-N159 PolarHBondContact OD1-ND2 3.34Å |
| 160 | S | 72.2 | Confident | 81.2 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -117.7 | 139.9 | -178.4 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Q158 S162 S165 | Q158-S160 PolarHBondContact O-N 2.71Å; S160-S162 PolarHBondContact OG-N 3.4Å; S160-S165 PolarHBondContact OG-OG 3.23Å | ||
| 161 | E | 58.7 | Low | 81.2 | Confident | 194 Ų | 194 | 57.1 Ų | 57.1 | 91% | 0.907 | 31% | 0.31 | S | S | * | . | trans | -90.6 | -7.3 | 177.7 | -66.3 | -169.8 | 163.1 | 0 | 0 | 113.9 | ||||
| 162 | S | 61.1 | Low | 80.9 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | trans | -97 | 123.9 | -175 | 127.9 | 0 | 0 | 0 | 0 | 112.8 | S160 E164 S165 | S160-S162 PolarHBondContact OG-N 3.4Å; S162-E164 VanDerWaalsContact C-N 3.28Å; S162-E164 PolarHBondContact O-N 3.38Å; S162-S165 PolarHBondContact O-N 3.25Å; S162-S165 PolarHBondContact O-OG 3.09Å; S162-S165 PolarHBondContact OG-N 3.21Å; S162-S165 PolarHBondContact OG-OG 2.87Å | ||
| 163 | E | 60.7 | Low | 80.7 | Confident | 141 Ų | 141 | 62.1 Ų | 62.1 | 66% | 0.659 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -61 | -33.4 | 176 | -74.8 | -160.5 | 127.8 | 0 | 0 | 113.2 | R94 S165 F166 | R94-E163 IonicContact CZ-OE1 2.73Å; R94-E163 IonicContact NH1-OE1 3.63Å; R94-E163 PolarHBondContact NH1-OE1 3.4Å; R94-E163 IonicContact NH2-OE1 2.68Å; E163-S165 PolarHBondContact O-N 3.05Å; E163-F166 PolarHBondContact O-N 2.99Å |
| 164 | E | 64.8 | Low | 80.6 | Confident | 196 Ų | 196 | 64 Ų | 64 | 92% | 0.916 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -68 | -23.7 | -179.3 | -71.5 | -178.8 | 158.1 | 0 | 0 | 112.9 | S162 | S162-E164 VanDerWaalsContact C-N 3.28Å; S162-E164 PolarHBondContact O-N 3.38Å |
| 165 | S | 65.7 | Low | 80.5 | Confident | 51 Ų | 51 | 64.2 Ų | 64.2 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -86.6 | -8.7 | -179.3 | 70.1 | 0 | 0 | 0 | 0 | 114.3 | S160 S162 E163 Q167 | S160-S165 PolarHBondContact OG-OG 3.23Å; S162-S165 PolarHBondContact O-N 3.25Å; S162-S165 PolarHBondContact O-OG 3.09Å; S162-S165 PolarHBondContact OG-N 3.21Å; S162-S165 PolarHBondContact OG-OG 2.87Å; E163-S165 PolarHBondContact O-N 3.05Å; S165-Q167 PolarHBondContact O-N 3.4Å |
| 166 | F | 76.4 | Confident | 80.4 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | trans | -72.9 | 114.7 | -174.8 | -178 | -94.9 | 0 | 0 | 0 | 111.3 | G93 R94 E163 A168 F171 | G93-F166 WeakPolarHBondContact O-CZ 3.37Å; R94-F166 HydrophobicContact CB-CE2 4.44Å; R94-F166 HydrophobicContact CB-CZ 4.45Å; R94-F166 HydrophobicContact CG-CD1 4.32Å; R94-F166 HydrophobicContact CG-CD2 4.4Å; R94-F166 HydrophobicContact CG-CE1 3.96Å; R94-F166 HydrophobicContact CG-CE2 4.08Å; R94-F166 HydrophobicContact CG-CZ 3.85Å; E163-F166 PolarHBondContact O-N 2.99Å; F166-A168 HydrophobicContact CE1-CB 4.01Å; F166-A168 HydrophobicContact CZ-CB 4.5Å; F166-F171 HydrophobicContact CE2-CB 3.82Å; F166-F171 HydrophobicContact CE2-CD1 4.01Å; F166-F171 AromaticContact CE2-CG 3.88Å; F166-F171 HydrophobicContact CE2-CG 3.88Å; F166-F171 HydrophobicContact CZ-CB 4.09Å; F166-F171 HydrophobicContact CZ-CD1 4.09Å; F166-F171 HydrophobicContact CZ-CG 4.29Å | ||
| 167 | Q | 77.3 | Confident | 80.4 | Confident | 141 Ų | 141 | 64.9 Ų | 64.9 | 66% | 0.659 | 34% | 0.343 | S | S | * | . | trans | -111.2 | 115.4 | 167.9 | -71.2 | -167.8 | -10.2 | 0 | 0 | 109.8 | S165 T169 G170 F171 | S165-Q167 PolarHBondContact O-N 3.4Å; Q167-T169 VanDerWaalsContact C-N 3.26Å; Q167-T169 PolarHBondContact O-N 3.01Å; Q167-G170 PolarHBondContact O-N 2.86Å; Q167-F171 PolarHBondContact O-N 3.24Å | ||
| 168 | A | 78.7 | Confident | 80.5 | Confident | 47 Ų | 47 | 64 Ų | 64 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.1 | -42.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F166 F171 R172 | F166-A168 HydrophobicContact CE1-CB 4.01Å; F166-A168 HydrophobicContact CZ-CB 4.5Å; A168-F171 PolarHBondContact O-N 3.49Å; A168-R172 PolarHBondContact O-N 2.9Å |
| 169 | T | 79.1 | Confident | 80.8 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.7 | -37.2 | 0 | 0 | 0 | 0 | 111.7 | Q167 F171 R172 S173 Y278 | Q167-T169 VanDerWaalsContact C-N 3.26Å; Q167-T169 PolarHBondContact O-N 3.01Å; T169-F171 PolarHBondContact O-N 3.49Å; T169-R172 PolarHBondContact O-N 2.89Å; T169-S173 PolarHBondContact O-N 2.85Å; T169-S173 PolarHBondContact O-OG 2.69Å; T169-S173 VanDerWaalsContact O-OG 3.1Å; T169-Y278 HydrophobicContact CG2-CE1 4.49Å |
| 170 | G | 84.6 | Confident | 81.3 | Confident | 28 Ų | 28 | 58 Ų | 58 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.2 | -42.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q167 S173 Q174 | Q167-G170 PolarHBondContact O-N 2.86Å; G170-S173 PolarHBondContact O-N 3.06Å; G170-Q174 WeakPolarHBondContact O-CG 3.45Å; G170-Q174 PolarHBondContact O-N 3.17Å |
| 171 | F | 90 | Very high | 82.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.3 | -178.1 | -121.2 | 0 | 0 | 0 | 112 | A96 L125 Q158 F166 Q167 A168 T169 S173 Q174 V175 | A96-F171 HydrophobicContact CB-CE1 4.25Å; A96-F171 HydrophobicContact CB-CZ 4.06Å; L125-F171 HydrophobicContact CD2-CD2 3.94Å; L125-F171 HydrophobicContact CD2-CE2 3.68Å; Q158-F171 HydrophobicContact CB-CD2 3.88Å; Q158-F171 HydrophobicContact CB-CE2 4.19Å; Q158-F171 HydrophobicContact CG-CD2 4.49Å; F166-F171 HydrophobicContact CE2-CB 3.82Å; F166-F171 HydrophobicContact CE2-CD1 4.01Å; F166-F171 AromaticContact CE2-CG 3.88Å; F166-F171 HydrophobicContact CE2-CG 3.88Å; F166-F171 HydrophobicContact CZ-CB 4.09Å; F166-F171 HydrophobicContact CZ-CD1 4.09Å; F166-F171 HydrophobicContact CZ-CG 4.29Å; Q167-F171 PolarHBondContact O-N 3.24Å; A168-F171 PolarHBondContact O-N 3.49Å; T169-F171 PolarHBondContact O-N 3.49Å; F171-S173 PolarHBondContact O-N 2.72Å; F171-Q174 PolarHBondContact O-N 3.41Å; F171-V175 HydrophobicContact CD2-CG2 4.12Å; F171-V175 HydrophobicContact CE1-CG2 4.19Å; F171-V175 HydrophobicContact CE2-CG2 3.75Å; F171-V175 HydrophobicContact CG-CG2 4.49Å; F171-V175 HydrophobicContact CZ-CG2 3.78Å; F171-V175 VanDerWaalsContact O-CG2 3.29Å; F171-V175 WeakPolarHBondContact O-CG2 3.31Å; F171-V175 PolarHBondContact O-N 3.35Å |
| 172 | R | 89 | Confident | 84 | Confident | 102 Ų | 102 | 47.8 Ų | 47.8 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 174.2 | -77.4 | -178 | -167 | 156.9 | 5.7 | 112.3 | A168 T169 Q174 V175 F176 E198 | A168-R172 PolarHBondContact O-N 2.9Å; T169-R172 PolarHBondContact O-N 2.89Å; R172-Q174 VanDerWaalsContact C-N 3.34Å; R172-Q174 PolarHBondContact O-N 3.26Å; R172-V175 PolarHBondContact O-N 3.37Å; R172-F176 WeakPolarHBondContact O-CB 3.28Å; R172-F176 PolarHBondContact O-N 3.14Å; R172-E198 IonicContact CZ-OE1 3.67Å; R172-E198 VanDerWaalsContact CZ-OE1 3.23Å; R172-E198 IonicContact NE-OE1 3.33Å; R172-E198 PolarHBondContact NE-OE1 2.99Å; R172-E198 IonicContact NH2-OE1 2.6Å; R172-E198 PolarHBondContact NH2-OE1 2.86Å |
| 173 | S | 89.6 | Confident | 85.5 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 8% | 0.084 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | T169 G170 F171 F176 L177 Y279 | T169-S173 PolarHBondContact O-N 2.85Å; T169-S173 PolarHBondContact O-OG 2.69Å; T169-S173 VanDerWaalsContact O-OG 3.1Å; G170-S173 PolarHBondContact O-N 3.06Å; F171-S173 PolarHBondContact O-N 2.72Å; S173-F176 PolarHBondContact O-N 2.65Å; S173-L177 WeakPolarHBondContact O-CB 3.41Å; S173-L177 PolarHBondContact O-N 2.97Å; S173-Y279 VanDerWaalsContact CA-OH 3.23Å; S173-Y279 WeakPolarHBondContact CA-OH 3.46Å; S173-Y279 WeakPolarHBondContact CB-OH 3.15Å; S173-Y279 PolarHBondContact O-OH 3.21Å; S173-Y279 VanDerWaalsContact O-OH 3.04Å |
| 174 | Q | 92.7 | Very high | 86.9 | Confident | 39 Ų | 39 | 40 Ų | 40 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64 | -42.8 | 174.9 | -73.4 | 177.1 | -36.6 | 0 | 0 | 112.3 | L125 G170 F171 R172 L177 L178 | L125-Q174 HydrophobicContact CD1-CB 4.28Å; L125-Q174 HydrophobicContact CD2-CB 4.06Å; L125-Q174 HydrophobicContact CG-CB 4.22Å; G170-Q174 WeakPolarHBondContact O-CG 3.45Å; G170-Q174 PolarHBondContact O-N 3.17Å; F171-Q174 PolarHBondContact O-N 3.41Å; R172-Q174 VanDerWaalsContact C-N 3.34Å; R172-Q174 PolarHBondContact O-N 3.26Å; Q174-L177 PolarHBondContact O-N 3.48Å; Q174-L178 PolarHBondContact O-N 3.14Å |
| 175 | V | 94.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.8 | -40.8 | 178.5 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | A96 L125 F171 R172 L178 R179 L195 | A96-V175 HydrophobicContact CB-CB 4.41Å; A96-V175 HydrophobicContact CB-CG1 3.74Å; A96-V175 HydrophobicContact CB-CG2 3.76Å; L125-V175 HydrophobicContact CD1-CG2 4.05Å; F171-V175 HydrophobicContact CD2-CG2 4.12Å; F171-V175 HydrophobicContact CE1-CG2 4.19Å; F171-V175 HydrophobicContact CE2-CG2 3.75Å; F171-V175 HydrophobicContact CG-CG2 4.49Å; F171-V175 HydrophobicContact CZ-CG2 3.78Å; F171-V175 VanDerWaalsContact O-CG2 3.29Å; F171-V175 WeakPolarHBondContact O-CG2 3.31Å; F171-V175 PolarHBondContact O-N 3.35Å; R172-V175 PolarHBondContact O-N 3.37Å; V175-L178 WeakPolarHBondContact O-CB 3.29Å; V175-L178 PolarHBondContact O-N 2.81Å; V175-R179 WeakPolarHBondContact O-CB 3.4Å; V175-R179 PolarHBondContact O-N 3.5Å; V175-L195 HydrophobicContact CG1-CG 4.19Å; V175-L195 WeakPolarHBondContact CG1-O 3.43Å |
| 176 | F | 94.5 | Very high | 89.1 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 173.8 | 175.9 | -101.1 | 0 | 0 | 0 | 111.7 | R172 S173 L178 R179 K180 Y279 L287 E306 F307 Q310 | R172-F176 WeakPolarHBondContact O-CB 3.28Å; R172-F176 PolarHBondContact O-N 3.14Å; S173-F176 PolarHBondContact O-N 2.65Å; F176-L178 PolarHBondContact O-N 3.44Å; F176-R179 PolarHBondContact O-N 3.19Å; F176-K180 WeakPolarHBondContact O-CB 3.43Å; F176-K180 PolarHBondContact O-N 3.4Å; F176-Y279 WeakPolarHBondContact CD1-OH 3.25Å; F176-L287 HydrophobicContact CD1-CD2 4.13Å; F176-L287 HydrophobicContact CE1-CD1 4.27Å; F176-L287 HydrophobicContact CE1-CD2 3.84Å; F176-E306 HydrophobicContact CD2-CG 4.02Å; F176-E306 WeakPolarHBondContact CD2-OE1 3.32Å; F176-E306 HydrophobicContact CE2-CB 4.35Å; F176-E306 HydrophobicContact CE2-CG 3.61Å; F176-F307 HydrophobicContact CE1-CD2 4.31Å; F176-F307 HydrophobicContact CZ-CB 4.42Å; F176-F307 HydrophobicContact CZ-CD2 4.12Å; F176-Q310 HydrophobicContact CB-CB 4.16Å; F176-Q310 HydrophobicContact CB-CG 4.29Å; F176-Q310 HydrophobicContact CD1-CB 3.74Å; F176-Q310 HydrophobicContact CD2-CB 3.77Å; F176-Q310 HydrophobicContact CD2-CG 3.68Å; F176-Q310 HydrophobicContact CE1-CB 3.99Å; F176-Q310 HydrophobicContact CE2-CB 4.01Å; F176-Q310 HydrophobicContact CE2-CG 4.08Å; F176-Q310 HydrophobicContact CG-CB 3.61Å; F176-Q310 HydrophobicContact CG-CG 3.92Å; F176-Q310 HydrophobicContact CZ-CB 4.12Å |
| 177 | L | 95 | Very high | 89 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 174.3 | 179.1 | 64.4 | 0 | 0 | 0 | 111.4 | S173 Q174 Y181 Y279 Q283 K286 L287 | S173-L177 WeakPolarHBondContact O-CB 3.41Å; S173-L177 PolarHBondContact O-N 2.97Å; Q174-L177 PolarHBondContact O-N 3.48Å; L177-Y181 WeakPolarHBondContact O-CB 3.42Å; L177-Y181 PolarHBondContact O-N 3.11Å; L177-Y279 HydrophobicContact CB-CE1 4.11Å; L177-Q283 HydrophobicContact CD1-CB 4.43Å; L177-Q283 HydrophobicContact CD2-CB 4.41Å; L177-Q283 HydrophobicContact CD2-CG 4.01Å; L177-K286 HydrophobicContact CD1-CB 4.4Å; L177-L287 HydrophobicContact CD1-CD2 3.65Å; L177-L287 HydrophobicContact CD1-CG 4.06Å |
| 178 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.3 | -53.2 | 173.7 | 167.2 | 58.8 | 0 | 0 | 0 | 111.4 | F116 I119 T120 C123 L125 V156 Q174 V175 F176 K180 A182 L195 | F116-L178 HydrophobicContact CE1-CD1 4.28Å; F116-L178 HydrophobicContact CE1-CD2 4.31Å; F116-L178 HydrophobicContact CZ-CD1 4.08Å; F116-L178 HydrophobicContact CZ-CD2 4.25Å; F116-L178 HydrophobicContact CZ-CG 4.21Å; I119-L178 HydrophobicContact CB-CD1 4.29Å; I119-L178 HydrophobicContact CG2-CD1 3.69Å; T120-L178 HydrophobicContact CG2-CD2 4.03Å; C123-L178 HydrophobicContact CB-CB 4.11Å; L125-L178 HydrophobicContact CD1-CB 3.91Å; L125-L178 HydrophobicContact CD1-CD2 3.66Å; L125-L178 HydrophobicContact CD1-CG 4.43Å; V156-L178 HydrophobicContact CG1-CD2 4.25Å; V156-L178 HydrophobicContact CG2-CD2 4.38Å; Q174-L178 PolarHBondContact O-N 3.14Å; V175-L178 WeakPolarHBondContact O-CB 3.29Å; V175-L178 PolarHBondContact O-N 2.81Å; F176-L178 PolarHBondContact O-N 3.44Å; L178-K180 PolarHBondContact O-N 3.41Å; L178-A182 WeakPolarHBondContact O-CB 3.37Å; L178-A182 PolarHBondContact O-N 2.93Å; L178-L195 HydrophobicContact CD2-CD2 4.08Å; L178-L195 HydrophobicContact CG-CD2 4.08Å |
| 179 | R | 94.2 | Very high | 89 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.1 | -51.9 | -178.3 | -174.8 | -162.4 | 64 | 69 | 2.9 | 110.9 | V175 F176 A182 S183 I192 L195 E292 E306 | V175-R179 WeakPolarHBondContact O-CB 3.4Å; V175-R179 PolarHBondContact O-N 3.5Å; F176-R179 PolarHBondContact O-N 3.19Å; R179-A182 PolarHBondContact O-N 2.86Å; R179-S183 PolarHBondContact O-N 2.79Å; R179-S183 PolarHBondContact O-OG 3.38Å; R179-I192 HydrophobicContact CG-CG2 4.11Å; R179-L195 HydrophobicContact CB-CB 4.28Å; R179-L195 HydrophobicContact CB-CD2 4.1Å; R179-L195 HydrophobicContact CG-CB 4.08Å; R179-E292 IonicContact NH1-OE1 3.89Å; R179-E306 IonicContact CZ-OE1 3.82Å; R179-E306 IonicContact CZ-OE2 2.82Å; R179-E306 IonicContact NE-OE1 2.79Å; R179-E306 PolarHBondContact NE-OE1 3.28Å; R179-E306 IonicContact NE-OE2 3.45Å; R179-E306 PolarHBondContact NE-OE2 2.97Å; R179-E306 IonicContact NH1-OE2 3.02Å; R179-E306 IonicContact NH2-OE1 2.86Å; R179-E306 PolarHBondContact NH2-OE1 2.91Å; R179-E306 IonicContact NH2-OE2 3.43Å; R179-E306 PolarHBondContact NH2-OE2 3.13Å |
| 180 | K | 93.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.6 | -42.8 | -174 | -168.8 | 67.9 | -174.3 | -179.7 | 0 | 112.2 | F176 L178 A182 S183 N184 L287 P289 I290 E292 N303 | F176-K180 WeakPolarHBondContact O-CB 3.43Å; F176-K180 PolarHBondContact O-N 3.4Å; L178-K180 PolarHBondContact O-N 3.41Å; K180-A182 VanDerWaalsContact C-N 3.33Å; K180-A182 PolarHBondContact O-N 3.18Å; K180-S183 PolarHBondContact O-N 3.39Å; K180-N184 PolarHBondContact O-N 3.08Å; K180-L287 HydrophobicContact CB-CD2 3.77Å; K180-L287 HydrophobicContact CG-CB 4.45Å; K180-L287 HydrophobicContact CG-CD2 4Å; K180-P289 VanDerWaalsContact CE-O 3.29Å; K180-P289 WeakPolarHBondContact CE-O 3.41Å; K180-I290 WeakPolarHBondContact CE-O 3.37Å; K180-I290 PolarHBondContact NZ-O 2.85Å; K180-E292 IonicContact NZ-OE1 3.32Å; K180-E292 PolarHBondContact NZ-OE1 3.25Å; K180-N303 PolarHBondContact NZ-OD1 3.06Å; K180-N303 VanDerWaalsContact NZ-OD1 3.14Å |
| 181 | Y | 94.5 | Very high | 89.7 | Confident | 33 Ų | 33 | 32.9 Ų | 32.9 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.5 | -176.4 | -157.5 | 0 | 0 | 0 | 111.1 | I119 E122 L177 N184 E185 K286 | I119-Y181 HydrophobicContact CG1-CE1 4.39Å; I119-Y181 HydrophobicContact CG2-CD1 3.45Å; I119-Y181 VanDerWaalsContact CG2-CD1 3.45Å; I119-Y181 HydrophobicContact CG2-CE1 3.88Å; I119-Y181 HydrophobicContact CG2-CG 3.99Å; E122-Y181 HydrophobicContact CB-CE1 4.47Å; E122-Y181 VanDerWaalsContact OE2-CE1 3.23Å; E122-Y181 WeakPolarHBondContact OE2-CE1 3.05Å; E122-Y181 PolarHBondContact OE2-OH 2.77Å; L177-Y181 WeakPolarHBondContact O-CB 3.42Å; L177-Y181 PolarHBondContact O-N 3.11Å; Y181-N184 PolarHBondContact O-N 2.78Å; Y181-E185 HydrophobicContact CD2-CG 3.71Å; Y181-E185 HydrophobicContact CE2-CG 3.41Å; Y181-E185 VanDerWaalsContact CE2-CG 3.41Å; Y181-E185 WeakPolarHBondContact O-CB 3.3Å; Y181-E185 PolarHBondContact O-N 3.14Å; Y181-K286 HydrophobicContact CD1-CD 3.95Å; Y181-K286 HydrophobicContact CD2-CB 4.17Å; Y181-K286 HydrophobicContact CD2-CD 4.43Å; Y181-K286 HydrophobicContact CE1-CD 3.85Å; Y181-K286 HydrophobicContact CE2-CD 4.3Å; Y181-K286 HydrophobicContact CE2-CG 4.47Å; Y181-K286 HydrophobicContact CG-CB 4.23Å; Y181-K286 HydrophobicContact CG-CD 4.29Å |
| 182 | A | 93.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | F116 I119 L178 R179 K180 N184 E185 L186 I192 | F116-A182 HydrophobicContact CD2-CB 3.92Å; F116-A182 HydrophobicContact CE2-CB 3.75Å; I119-A182 HydrophobicContact CD1-CB 4.28Å; I119-A182 HydrophobicContact CG2-CB 4.39Å; L178-A182 WeakPolarHBondContact O-CB 3.37Å; L178-A182 PolarHBondContact O-N 2.93Å; R179-A182 PolarHBondContact O-N 2.86Å; K180-A182 VanDerWaalsContact C-N 3.33Å; K180-A182 PolarHBondContact O-N 3.18Å; A182-N184 VanDerWaalsContact C-N 3.34Å; A182-N184 PolarHBondContact O-N 3.41Å; A182-E185 PolarHBondContact O-N 3.03Å; A182-L186 HydrophobicContact CB-CD1 4.4Å; A182-L186 WeakPolarHBondContact O-CB 3.16Å; A182-L186 WeakPolarHBondContact O-CG 3.25Å; A182-L186 PolarHBondContact O-N 3.08Å; A182-I192 HydrophobicContact CB-CD1 3.79Å |
| 183 | S | 91.5 | Very high | 90.1 | Very high | 5 Ų | 5 | 28 Ų | 28 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.5 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | R179 K180 S187 | R179-S183 PolarHBondContact O-N 2.79Å; R179-S183 PolarHBondContact O-OG 3.38Å; K180-S183 PolarHBondContact O-N 3.39Å; S183-S187 VanDerWaalsContact O-CA 3.29Å; S183-S187 WeakPolarHBondContact O-CA 3.34Å; S183-S187 WeakPolarHBondContact O-CB 3.4Å; S183-S187 PolarHBondContact O-N 2.65Å |
| 184 | N | 90 | Very high | 90.4 | Very high | 33 Ų | 33 | 27.7 Ų | 27.7 | 18% | 0.176 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.6 | -44.7 | -178.1 | -69.6 | -15.9 | 0 | 0 | 0 | 111.8 | K180 Y181 A182 S187 K286 L287 F288 | K180-N184 PolarHBondContact O-N 3.08Å; Y181-N184 PolarHBondContact O-N 2.78Å; A182-N184 VanDerWaalsContact C-N 3.34Å; A182-N184 PolarHBondContact O-N 3.41Å; N184-S187 PolarHBondContact O-OG 3.28Å; N184-K286 PolarHBondContact ND2-O 3.1Å; N184-L287 PolarHBondContact ND2-O 3.14Å; N184-F288 PolarHBondContact ND2-O 3.22Å; N184-F288 VanDerWaalsContact ND2-O 3.12Å |
| 185 | E | 89.6 | Confident | 90.5 | Very high | 124 Ų | 124 | 26.2 Ų | 26.2 | 58% | 0.579 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -74.8 | -30.6 | -178.7 | -76.9 | -65.4 | 140.2 | 0 | 0 | 114.1 | I119 Y181 A182 | I119-E185 HydrophobicContact CD1-CB 4.08Å; I119-E185 HydrophobicContact CD1-CG 4.5Å; Y181-E185 HydrophobicContact CD2-CG 3.71Å; Y181-E185 HydrophobicContact CE2-CG 3.41Å; Y181-E185 VanDerWaalsContact CE2-CG 3.41Å; Y181-E185 WeakPolarHBondContact O-CB 3.3Å; Y181-E185 PolarHBondContact O-N 3.14Å; A182-E185 PolarHBondContact O-N 3.03Å |
| 186 | L | 87.5 | Confident | 90.5 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -111 | 4.9 | -172.3 | -53.1 | 175.9 | 0 | 0 | 0 | 114 | R115 F116 I119 A182 K188 S189 C190 | R115-L186 HydrophobicContact CB-CD2 4.01Å; F116-L186 HydrophobicContact CB-CD1 4.41Å; F116-L186 HydrophobicContact CD2-CD1 4.26Å; I119-L186 HydrophobicContact CD1-CD1 4.38Å; I119-L186 HydrophobicContact CD1-CG 4.41Å; A182-L186 HydrophobicContact CB-CD1 4.4Å; A182-L186 WeakPolarHBondContact O-CB 3.16Å; A182-L186 WeakPolarHBondContact O-CG 3.25Å; A182-L186 PolarHBondContact O-N 3.08Å; L186-K188 PolarHBondContact O-N 2.9Å; L186-S189 PolarHBondContact O-N 3.01Å; L186-C190 WeakPolarHBondContact CB-SG 3.25Å; L186-C190 PolarHBondContact O-N 3.4Å; L186-C190 VanDerWaalsContact O-N 3.14Å |
| 187 | S | 74.8 | Confident | 90.4 | Very high | 64 Ų | 64 | 26.6 Ų | 26.6 | 45% | 0.448 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | -34.1 | -171.8 | 49.4 | 0 | 0 | 0 | 0 | 116.2 | S183 N184 | S183-S187 VanDerWaalsContact O-CA 3.29Å; S183-S187 WeakPolarHBondContact O-CA 3.34Å; S183-S187 WeakPolarHBondContact O-CB 3.4Å; S183-S187 PolarHBondContact O-N 2.65Å; N184-S187 PolarHBondContact O-OG 3.28Å |
| 188 | K | 74.5 | Confident | 90.3 | Very high | 194 Ų | 194 | 28.1 Ų | 28.1 | 84% | 0.843 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.4 | 179.6 | -66.9 | -172.1 | 178.7 | -176.1 | 0 | 114.4 | L186 | L186-K188 PolarHBondContact O-N 2.9Š|
| 189 | S | 80.7 | Confident | 90.3 | Very high | 29 Ų | 29 | 28.6 Ų | 28.6 | 20% | 0.203 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -29 | -170.3 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | H103 L186 | H103-S189 PolarHBondContact N-O 2.67Å; H103-S189 VanDerWaalsContact N-O 3.08Å; L186-S189 PolarHBondContact O-N 3.01Å |
| 190 | C | 87.9 | Confident | 90.4 | Very high | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 155.2 | -178.8 | 67 | 0 | 0 | 0 | 0 | 113.8 | I100 F101 I102 I112 L186 | I100-C190 HydrophobicContact CG2-CB 3.83Å; F101-C190 CarbonylContact O-C 3.32Å; F101-C190 WeakPolarHBondContact O-CA 3.09Å; F101-C190 WeakPolarHBondContact O-CB 3.28Å; I102-C190 HydrophobicContact CG1-CB 4.29Å; I112-C190 HydrophobicContact CG2-CB 4.49Å; L186-C190 WeakPolarHBondContact CB-SG 3.25Å; L186-C190 PolarHBondContact O-N 3.4Å; L186-C190 VanDerWaalsContact O-N 3.14Å |
| 191 | Y | 90.6 | Very high | 90.5 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.4 | 171.6 | 178.4 | -100.6 | 0 | 0 | 0 | 110.4 | I100 F101 C193 Q248 M295 | I100-Y191 CarbonylContact C-O 3.52Å; I100-Y191 WeakPolarHBondContact CA-O 3.34Å; F101-Y191 HydrophobicContact CD2-CD1 4.25Å; F101-Y191 PolarHBondContact N-O 2.83Å; F101-Y191 PolarHBondContact O-N 3.14Å; Y191-C193 HydrophobicContact CE1-CB 4.39Å; Y191-Q248 PolarHBondContact OH-OE1 3.41Å; Y191-M295 HydrophobicContact CE2-CE 4.27Å; Y191-M295 HydrophobicContact CE2-SD 4.23Å |
| 192 | I | 93.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 105.6 | 178.8 | -55.6 | 173.1 | 0 | 0 | 0 | 108.7 | I100 F116 R179 A182 S194 L195 R249 | I100-I192 HydrophobicContact CD1-CG1 4.38Å; I100-I192 HydrophobicContact CG1-CG1 4.23Å; I100-I192 HydrophobicContact CG1-CG2 4.38Å; I100-I192 HydrophobicContact CG2-CG1 4.29Å; F116-I192 HydrophobicContact CE2-CD1 4.03Å; R179-I192 HydrophobicContact CG-CG2 4.11Å; A182-I192 HydrophobicContact CB-CD1 3.79Å; I192-S194 WeakPolarHBondContact CG2-O 3.2Å; I192-L195 HydrophobicContact CG2-CB 3.99Å; I192-R249 PolarHBondContact O-NE 3.36Å |
| 193 | C | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -67.9 | -44.9 | -178.5 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | I99 F101 Y191 R249 | I99-C193 HydrophobicContact CB-CB 4.35Å; I99-C193 HydrophobicContact CG2-CB 4.43Å; I99-C193 WeakPolarHBondContact O-CB 3.38Å; I99-C193 PolarHBondContact O-N 2.99Å; F101-C193 VanDerWaalsContact CE2-SG 3.51Å; F101-C193 VanDerWaalsContact CZ-SG 3.55Å; Y191-C193 HydrophobicContact CE1-CB 4.39Å; C193-R249 WeakPolarHBondContact O-CG 3.44Å |
| 194 | S | 95.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | trans | -152.2 | 154.2 | 173.2 | 65.8 | 0 | 0 | 0 | 0 | 108.9 | G98 I99 I192 I200 V201 | G98-S194 CarbonylContact C-O 3.44Å; G98-S194 WeakPolarHBondContact CA-O 2.94Å; I99-S194 PolarHBondContact N-O 2.65Å; I192-S194 WeakPolarHBondContact CG2-O 3.2Å; S194-I200 WeakPolarHBondContact OG-CD1 3.39Å; S194-V201 PolarHBondContact OG-N 3.28Å | ||
| 195 | L | 95.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | trans | -160.4 | 92.5 | 166.2 | -178.8 | 60.8 | 0 | 0 | 0 | 108.2 | T97 F116 V154 V175 L178 R179 I192 | T97-L195 WeakPolarHBondContact O-CA 3.42Å; F116-L195 HydrophobicContact CE2-CD2 4.49Å; F116-L195 HydrophobicContact CZ-CD2 3.78Å; V154-L195 HydrophobicContact CG1-CD1 3.76Å; V175-L195 HydrophobicContact CG1-CG 4.19Å; V175-L195 WeakPolarHBondContact CG1-O 3.43Å; L178-L195 HydrophobicContact CD2-CD2 4.08Å; L178-L195 HydrophobicContact CG-CD2 4.08Å; R179-L195 HydrophobicContact CB-CB 4.28Å; R179-L195 HydrophobicContact CB-CD2 4.1Å; R179-L195 HydrophobicContact CG-CB 4.08Å; I192-L195 HydrophobicContact CG2-CB 3.99Å | ||
| 196 | C | 93.6 | Very high | 90.8 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 11% | 0.108 | 10% | 0.1 | C | C | . | . | B | Isolated β-bridge | trans | -155.5 | 177.5 | -179.5 | 77 | 0 | 0 | 0 | 0 | 111.9 | A96 T97 R199 | A96-C196 VanDerWaalsContact CA-O 3.28Å; A96-C196 WeakPolarHBondContact CA-O 3.47Å; A96-C196 WeakPolarHBondContact CB-O 3.25Å; T97-C196 PolarHBondContact N-O 3.45Å; T97-C196 PolarHBondContact O-N 2.94Å; T97-C196 VanDerWaalsContact O-N 3.11Å; C196-R199 VanDerWaalsContact SG-CB 3.59Å; C196-R199 PolarHBondContact SG-N 3.38Å; C196-R199 PolarHBondContact SG-O 3.43Å |
| 197 | S | 92.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.028 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -92.4 | -9.3 | -176.1 | 39.3 | 0 | 0 | 0 | 0 | 115 | I73 F95 | I73-S197 VanDerWaalsContact CD1-C 3.45Å; I73-S197 WeakPolarHBondContact CD1-O 3.29Å; F95-S197 WeakPolarHBondContact O-CA 3.17Å; F95-S197 VanDerWaalsContact O-CB 3.27Å; F95-S197 WeakPolarHBondContact O-CB 3.05Å |
| 198 | E | 93.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 17 Ų | 17 | 18% | 0.178 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -119 | -26 | -174.2 | -58.7 | 83.7 | -170.4 | 0 | 0 | 114.3 | S72 I73 R172 | S72-E198 WeakPolarHBondContact CA-O 3.29Å; I73-E198 PolarHBondContact N-O 2.9Å; I73-E198 VanDerWaalsContact N-O 3.1Å; R172-E198 IonicContact CZ-OE1 3.67Å; R172-E198 VanDerWaalsContact CZ-OE1 3.23Å; R172-E198 IonicContact NE-OE1 3.33Å; R172-E198 PolarHBondContact NE-OE1 2.99Å; R172-E198 IonicContact NH2-OE1 2.6Å; R172-E198 PolarHBondContact NH2-OE1 2.86Å |
| 199 | R | 94.5 | Very high | 92.1 | Very high | 11 Ų | 11 | 13.4 Ų | 13.4 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.3 | -163.4 | -47.3 | 168.7 | -79.7 | 153.1 | 12.1 | 112.9 | T71 C196 F227 R249 M250 S365 | T71-R199 WeakPolarHBondContact O-CA 3.44Å; C196-R199 VanDerWaalsContact SG-CB 3.59Å; C196-R199 PolarHBondContact SG-N 3.38Å; C196-R199 PolarHBondContact SG-O 3.43Å; R199-F227 HydrophobicContact CG-CZ 4.19Å; R199-R249 VanDerWaalsContact CZ-O 3.32Å; R199-R249 PolarHBondContact NH1-O 2.87Å; R199-M250 VanDerWaalsContact NH1-CG 3.34Å; R199-S365 WeakPolarHBondContact CD-O 3.34Å; R199-S365 PolarHBondContact NH1-O 3Å |
| 200 | I | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147 | 174 | -165.6 | 71.3 | 0 | 0 | 0 | 110.3 | M70 T71 T97 I99 S194 Y202 | M70-I200 WeakPolarHBondContact CA-O 3.25Å; T71-I200 PolarHBondContact N-O 3.33Å; T71-I200 PolarHBondContact O-N 3.4Å; T71-I200 WeakPolarHBondContact OG1-CG2 3.35Å; T97-I200 HydrophobicContact CG2-CD1 4.42Å; I99-I200 HydrophobicContact CD1-CD1 4.21Å; I99-I200 HydrophobicContact CD1-CG1 4.17Å; I99-I200 HydrophobicContact CG1-CD1 3.93Å; I99-I200 HydrophobicContact CG1-CG1 4.45Å; S194-I200 WeakPolarHBondContact OG-CD1 3.39Å; I200-Y202 HydrophobicContact CB-CE2 4.48Å; I200-Y202 HydrophobicContact CG1-CD2 4.47Å; I200-Y202 HydrophobicContact CG1-CE2 3.87Å; I200-Y202 HydrophobicContact CG2-CD2 4.34Å; I200-Y202 HydrophobicContact CG2-CE2 3.8Å |
| 201 | V | 97 | Very high | 92.9 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.006 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.9 | -177.8 | -180 | 0 | 0 | 0 | 0 | 110.7 | M70 S194 K203 | M70-V201 HydrophobicContact CB-CG2 4.1Å; M70-V201 HydrophobicContact CE-CG2 3.95Å; M70-V201 HydrophobicContact CG-CG2 3.98Å; S194-V201 PolarHBondContact OG-N 3.28Å; V201-K203 HydrophobicContact CG1-CB 4.36Å; V201-K203 HydrophobicContact CG1-CD 3.95Å; V201-K203 HydrophobicContact CG1-CG 4.32Å |
| 202 | Y | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.4 | 172.2 | -69.3 | -94.2 | 0 | 0 | 0 | 109.1 | G68 V69 Y78 I99 I200 Y215 D217 L218 F223 | G68-Y202 CarbonylContact C-O 3.36Å; G68-Y202 WeakPolarHBondContact CA-O 3.32Å; V69-Y202 PolarHBondContact N-O 2.95Å; V69-Y202 PolarHBondContact O-N 3.07Å; Y78-Y202 PolarHBondContact OH-OH 2.74Å; I99-Y202 HydrophobicContact CD1-CD1 3.83Å; I99-Y202 HydrophobicContact CD1-CE1 3.67Å; I99-Y202 HydrophobicContact CD1-CE2 4.36Å; I99-Y202 HydrophobicContact CD1-CG 4.25Å; I200-Y202 HydrophobicContact CB-CE2 4.48Å; I200-Y202 HydrophobicContact CG1-CD2 4.47Å; I200-Y202 HydrophobicContact CG1-CE2 3.87Å; I200-Y202 HydrophobicContact CG2-CD2 4.34Å; I200-Y202 HydrophobicContact CG2-CE2 3.8Å; Y202-Y215 AromaticContact CD1-CD1 3.7Å; Y202-Y215 HydrophobicContact CD1-CD1 3.7Å; Y202-Y215 AromaticContact CD1-CD2 3.92Å; Y202-Y215 HydrophobicContact CD1-CD2 3.92Å; Y202-Y215 AromaticContact CD1-CE1 3.99Å; Y202-Y215 HydrophobicContact CD1-CE1 3.99Å; Y202-Y215 HydrophobicContact CD1-CE2 4.19Å; Y202-Y215 AromaticContact CD1-CG 3.66Å; Y202-Y215 HydrophobicContact CD1-CG 3.66Å; Y202-Y215 HydrophobicContact CE1-CD1 4.21Å; Y202-Y215 HydrophobicContact CE1-CG 4.42Å; Y202-Y215 HydrophobicContact CG-CD2 4.4Å; Y202-D217 HydrophobicContact CE1-CB 4.03Å; Y202-D217 WeakPolarHBondContact CE1-OD2 3.42Å; Y202-D217 PolarHBondContact OH-OD2 3.07Å; Y202-L218 HydrophobicContact CD2-CD2 4.19Å; Y202-L218 HydrophobicContact CG-CD2 4.31Å; Y202-L218 HydrophobicContact CG-CG 4.47Å; Y202-F223 HydrophobicContact CE2-CE2 4.03Å; Y202-F223 HydrophobicContact CE2-CZ 4.17Å |
| 203 | K | 95.5 | Very high | 92.9 | Very high | 1 Ų | 1 | 15.3 Ų | 15.3 | 0% | 0.004 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 166.6 | -175.6 | 72 | -172.8 | -159.9 | 165.6 | 0 | 112.5 | F101 V201 Y215 S243 A245 P247 | F101-K203 HydrophobicContact CE2-CG 4.35Å; F101-K203 HydrophobicContact CZ-CG 4.21Å; F101-K203 WeakPolarHBondContact CZ-O 3.47Å; V201-K203 HydrophobicContact CG1-CB 4.36Å; V201-K203 HydrophobicContact CG1-CD 3.95Å; V201-K203 HydrophobicContact CG1-CG 4.32Å; K203-Y215 PolarHBondContact O-OH 3.3Å; K203-S243 PolarHBondContact NZ-O 2.78Å; K203-A245 HydrophobicContact CB-CB 4.25Å; K203-A245 HydrophobicContact CD-CB 4.43Å; K203-A245 VanDerWaalsContact CD-O 3.25Å; K203-A245 WeakPolarHBondContact CD-O 3.46Å; K203-A245 VanDerWaalsContact CE-O 3.28Å; K203-A245 WeakPolarHBondContact CE-O 3.33Å; K203-A245 HydrophobicContact CG-CB 4.35Å; K203-A245 PolarHBondContact NZ-O 2.93Å; K203-P247 WeakPolarHBondContact CD-O 3.22Å |
| 204 | G | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -174.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G66 S67 F206 W242 | G66-G204 VanDerWaalsContact CA-O 3.3Å; G66-G204 WeakPolarHBondContact CA-O 3.41Å; S67-G204 PolarHBondContact N-O 3.16Å; S67-G204 PolarHBondContact O-N 2.69Å; S67-G204 VanDerWaalsContact O-N 3.14Å; G204-F206 VanDerWaalsContact N-CE2 3.31Å; G204-F206 PolarHBondContact O-N 2.82Å; G204-F206 VanDerWaalsContact O-N 3.11Å; G204-W242 VanDerWaalsContact CA-CE3 3.42Å |
| 205 | L | 90.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 15.1 Ų | 15.1 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -82.3 | 82.7 | 178.8 | -65 | 176.2 | 0 | 0 | 0 | 110.4 | G64 D65 A144 P240 W242 | G64-L205 CarbonylContact O-C 3.57Å; D65-L205 WeakPolarHBondContact O-CD2 3.24Å; A144-L205 HydrophobicContact CB-CB 3.93Å; L205-P240 HydrophobicContact CD1-CB 3.29Å; L205-W242 HydrophobicContact CD1-CG 4.25Å; L205-W242 HydrophobicContact CG-CG 4.15Å |
| 206 | F | 89 | Confident | 92.7 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -129.3 | 147.2 | -173.9 | -50.2 | -58.4 | 0 | 0 | 0 | 110.7 | S67 I140 G204 Q210 L211 Y214 Y215 W242 | S67-F206 PolarHBondContact OG-O 3.49Å; S67-F206 VanDerWaalsContact OG-O 3.12Å; I140-F206 HydrophobicContact CG2-CD1 3.65Å; I140-F206 HydrophobicContact CG2-CE1 3.69Å; G204-F206 VanDerWaalsContact N-CE2 3.31Å; G204-F206 PolarHBondContact O-N 2.82Å; G204-F206 VanDerWaalsContact O-N 3.11Å; F206-Q210 HydrophobicContact CB-CB 3.95Å; F206-Q210 HydrophobicContact CD1-CB 4.39Å; F206-L211 HydrophobicContact CB-CB 4.39Å; F206-L211 HydrophobicContact CD2-CB 4.2Å; F206-L211 HydrophobicContact CD2-CD1 3.8Å; F206-L211 HydrophobicContact CE2-CD1 3.97Å; F206-Y214 AromaticContact CE1-CD1 3.68Å; F206-Y214 HydrophobicContact CE1-CD1 3.68Å; F206-Y214 AromaticContact CE1-CD2 3.87Å; F206-Y214 HydrophobicContact CE1-CD2 3.87Å; F206-Y214 HydrophobicContact CE1-CE1 4.13Å; F206-Y214 HydrophobicContact CE1-CE2 4.32Å; F206-Y214 AromaticContact CE1-CG 3.52Å; F206-Y214 HydrophobicContact CE1-CG 3.52Å; F206-Y214 HydrophobicContact CE2-CD1 4.29Å; F206-Y214 AromaticContact CZ-CD1 3.3Å; F206-Y214 HydrophobicContact CZ-CD1 3.3Å; F206-Y214 HydrophobicContact CZ-CD2 4.35Å; F206-Y214 AromaticContact CZ-CE1 3.68Å; F206-Y214 HydrophobicContact CZ-CE1 3.68Å; F206-Y214 AromaticContact CZ-CG 3.68Å; F206-Y214 HydrophobicContact CZ-CG 3.68Å; F206-Y215 HydrophobicContact CE2-CD2 4.49Å; F206-Y215 AromaticContact CE2-CE2 3.82Å; F206-Y215 HydrophobicContact CE2-CE2 3.82Å; F206-Y215 HydrophobicContact CZ-CE2 4.08Å; F206-W242 AromaticContact CE1-CH2 3.67Å; F206-W242 HydrophobicContact CE1-CH2 3.67Å; F206-W242 HydrophobicContact CE1-CZ3 4.07Å; F206-W242 HydrophobicContact CE2-CZ3 4.31Å; F206-W242 AromaticContact CZ-CH2 3.64Å; F206-W242 HydrophobicContact CZ-CH2 3.64Å; F206-W242 AromaticContact CZ-CZ3 3.54Å; F206-W242 HydrophobicContact CZ-CZ3 3.54Å | ||
| 207 | T | 87.5 | Confident | 92.7 | Very high | 22 Ų | 22 | 15.7 Ų | 15.7 | 14% | 0.135 | 8% | 0.081 | C | C | . | . | trans | -66.6 | 163.3 | 154.1 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | K209 Q210 | T207-K209 PolarHBondContact O-N 3.44Å; T207-K209 VanDerWaalsContact O-N 3.1Å; T207-Q210 PolarHBondContact O-N 3.34Å; T207-Q210 VanDerWaalsContact O-N 3.08Å; T207-Q210 VanDerWaalsContact OG1-CD 3.23Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.33Å; T207-Q210 PolarHBondContact OG1-OE1 3.07Å | ||
| 208 | T | 88.4 | Confident | 92.8 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.1 | -175.9 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | L48 D52 W212 N232 | L48-T208 HydrophobicContact CD1-CG2 4.17Å; L48-T208 HydrophobicContact CG-CG2 4.08Å; L48-T208 WeakPolarHBondContact O-CG2 3.45Å; D52-T208 HydrophobicContact CB-CG2 4.14Å; D52-T208 WeakPolarHBondContact OD1-CG2 3.28Å; D52-T208 PolarHBondContact OD1-OG1 3.37Å; T208-W212 VanDerWaalsContact O-CD1 3.27Å; T208-W212 PolarHBondContact O-NE1 2.7Å; T208-N232 HydrophobicContact CG2-CB 4.02Å; T208-N232 VanDerWaalsContact CG2-ND2 3.29Å; T208-N232 WeakPolarHBondContact CG2-ND2 3.45Å |
| 209 | K | 89 | Confident | 92.7 | Very high | 118 Ų | 118 | 17.2 Ų | 17.2 | 51% | 0.513 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -33.8 | 179.6 | -65.5 | 175.4 | -175.4 | 170.3 | 0 | 113.2 | E49 T207 L211 | E49-K209 HydrophobicContact CG-CG 4Å; T207-K209 PolarHBondContact O-N 3.44Å; T207-K209 VanDerWaalsContact O-N 3.1Å; K209-L211 PolarHBondContact O-N 3.05Å |
| 210 | Q | 91.5 | Very high | 92.6 | Very high | 13 Ų | 13 | 18.5 Ų | 18.5 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -35.3 | -174.5 | -75.5 | 169.7 | -12.8 | 0 | 0 | 112.6 | D62 C139 F206 T207 W212 N213 Y214 | D62-Q210 PolarHBondContact O-NE2 3.37Å; D62-Q210 PolarHBondContact O-OE1 3.23Å; D62-Q210 PolarHBondContact OD1-NE2 3Å; C139-Q210 VanDerWaalsContact O-CG 3.26Å; C139-Q210 WeakPolarHBondContact O-CG 3.44Å; C139-Q210 PolarHBondContact O-NE2 2.67Å; F206-Q210 HydrophobicContact CB-CB 3.95Å; F206-Q210 HydrophobicContact CD1-CB 4.39Å; T207-Q210 PolarHBondContact O-N 3.34Å; T207-Q210 VanDerWaalsContact O-N 3.08Å; T207-Q210 VanDerWaalsContact OG1-CD 3.23Å; T207-Q210 WeakPolarHBondContact OG1-CG 3.33Å; T207-Q210 PolarHBondContact OG1-OE1 3.07Å; Q210-W212 VanDerWaalsContact C-N 3.29Å; Q210-W212 PolarHBondContact O-N 3.42Å; Q210-N213 PolarHBondContact O-N 3.1Å; Q210-Y214 PolarHBondContact O-N 3.38Å |
| 211 | L | 93 | Very high | 92.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -47.7 | -49.8 | -179.9 | 172.9 | 65.3 | 0 | 0 | 0 | 112.7 | L48 V69 F206 K209 N213 Y215 L218 | L48-L211 HydrophobicContact CD2-CD2 3.66Å; V69-L211 HydrophobicContact CB-CD2 4.36Å; V69-L211 HydrophobicContact CG1-CD2 4.34Å; F206-L211 HydrophobicContact CB-CB 4.39Å; F206-L211 HydrophobicContact CD2-CB 4.2Å; F206-L211 HydrophobicContact CD2-CD1 3.8Å; F206-L211 HydrophobicContact CE2-CD1 3.97Å; K209-L211 PolarHBondContact O-N 3.05Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.8Å; L211-Y215 HydrophobicContact CD1-CD2 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 4.27Å; L211-L218 HydrophobicContact CD1-CD1 4.09Å; L211-L218 HydrophobicContact CG-CD1 4.06Å |
| 212 | W | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 2% | 0.023 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.2 | -27.1 | -174.5 | -52.1 | 102.4 | 0 | 0 | 0 | 113.1 | L41 K45 L48 V69 T208 Q210 L218 S219 V230 | L41-W212 HydrophobicContact CD1-CH2 4.45Å; L41-W212 HydrophobicContact CD1-CZ3 3.87Å; L41-W212 HydrophobicContact CG-CZ3 4.06Å; K45-W212 HydrophobicContact CB-CD2 3.77Å; K45-W212 HydrophobicContact CB-CE3 4.06Å; K45-W212 HydrophobicContact CB-CG 4.39Å; K45-W212 HydrophobicContact CB-CH2 3.97Å; K45-W212 HydrophobicContact CB-CZ2 3.71Å; K45-W212 HydrophobicContact CB-CZ3 4.14Å; K45-W212 HydrophobicContact CD-CB 4.17Å; K45-W212 HydrophobicContact CD-CD2 3.94Å; K45-W212 HydrophobicContact CD-CE3 4.45Å; K45-W212 HydrophobicContact CD-CG 3.75Å; K45-W212 HydrophobicContact CG-CD2 3.79Å; K45-W212 HydrophobicContact CG-CE3 4.46Å; K45-W212 HydrophobicContact CG-CG 3.87Å; K45-W212 HydrophobicContact CG-CZ2 4.34Å; L48-W212 HydrophobicContact CB-CZ2 4.3Å; L48-W212 HydrophobicContact CD2-CZ2 3.91Å; V69-W212 HydrophobicContact CB-CH2 4.43Å; V69-W212 HydrophobicContact CG2-CH2 4.37Å; T208-W212 VanDerWaalsContact O-CD1 3.27Å; T208-W212 PolarHBondContact O-NE1 2.7Å; Q210-W212 VanDerWaalsContact C-N 3.29Å; Q210-W212 PolarHBondContact O-N 3.42Å; W212-L218 HydrophobicContact CE3-CB 4.21Å; W212-L218 HydrophobicContact CE3-CD1 4.25Å; W212-L218 HydrophobicContact CZ3-CD1 4.46Å; W212-S219 PolarHBondContact O-OG 3.33Å; W212-V230 HydrophobicContact CH2-CG1 4.28Å; W212-V230 HydrophobicContact CZ2-CG1 4.29Å |
| 213 | N | 91 | Very high | 92.1 | Very high | 77 Ų | 77 | 26.4 Ų | 26.4 | 41% | 0.412 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -89.7 | -29.9 | -178.6 | -68 | -29 | 0 | 0 | 0 | 112.1 | K136 Q210 L211 | K136-N213 WeakPolarHBondContact CD-O 3.42Å; Q210-N213 PolarHBondContact O-N 3.1Å; L211-N213 VanDerWaalsContact C-N 3.29Å; L211-N213 PolarHBondContact O-N 2.8Å |
| 214 | Y | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.8 | -52.8 | -178.1 | 179.5 | -96.5 | 0 | 0 | 0 | 112 | V135 K136 I140 E148 I151 F206 Q210 W242 | V135-Y214 CarbonylContact C-O 3.59Å; V135-Y214 VanDerWaalsContact CA-O 3.28Å; V135-Y214 WeakPolarHBondContact CA-O 3.08Å; V135-Y214 HydrophobicContact CB-CD1 4.23Å; V135-Y214 HydrophobicContact CB-CD2 4.47Å; V135-Y214 HydrophobicContact CB-CE1 3.69Å; V135-Y214 HydrophobicContact CB-CE2 3.95Å; V135-Y214 HydrophobicContact CG1-CD1 4.02Å; V135-Y214 HydrophobicContact CG1-CE1 3.35Å; V135-Y214 HydrophobicContact CG2-CE2 4.4Å; K136-Y214 PolarHBondContact N-O 2.73Å; K136-Y214 WeakPolarHBondContact O-CD2 3.49Å; I140-Y214 HydrophobicContact CD1-CE2 4.34Å; I140-Y214 HydrophobicContact CG2-CD2 3.96Å; I140-Y214 HydrophobicContact CG2-CE2 4.45Å; E148-Y214 PolarHBondContact OE1-OH 3.49Å; I151-Y214 HydrophobicContact CD1-CE1 4Å; F206-Y214 AromaticContact CE1-CD1 3.68Å; F206-Y214 HydrophobicContact CE1-CD1 3.68Å; F206-Y214 AromaticContact CE1-CD2 3.87Å; F206-Y214 HydrophobicContact CE1-CD2 3.87Å; F206-Y214 HydrophobicContact CE1-CE1 4.13Å; F206-Y214 HydrophobicContact CE1-CE2 4.32Å; F206-Y214 AromaticContact CE1-CG 3.52Å; F206-Y214 HydrophobicContact CE1-CG 3.52Å; F206-Y214 HydrophobicContact CE2-CD1 4.29Å; F206-Y214 AromaticContact CZ-CD1 3.3Å; F206-Y214 HydrophobicContact CZ-CD1 3.3Å; F206-Y214 HydrophobicContact CZ-CD2 4.35Å; F206-Y214 AromaticContact CZ-CE1 3.68Å; F206-Y214 HydrophobicContact CZ-CE1 3.68Å; F206-Y214 AromaticContact CZ-CG 3.68Å; F206-Y214 HydrophobicContact CZ-CG 3.68Å; Q210-Y214 PolarHBondContact O-N 3.38Å; Y214-W242 HydrophobicContact CE1-CH2 4.15Å; Y214-W242 HydrophobicContact CE1-CZ3 4.24Å; Y214-W242 HydrophobicContact CE2-CH2 4.32Å; Y214-W242 AromaticContact CZ-CH2 3.82Å |
| 215 | Y | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 118 | 178.7 | -71.2 | -67.5 | 0 | 0 | 0 | 111.4 | V133 V135 I151 Y202 K203 F206 L211 D217 L218 | V133-Y215 HydrophobicContact CG1-CD1 3.85Å; V133-Y215 HydrophobicContact CG1-CE1 4.02Å; V135-Y215 HydrophobicContact CG1-CD1 3.91Å; V135-Y215 HydrophobicContact CG1-CE1 3.99Å; I151-Y215 HydrophobicContact CD1-CE1 3.99Å; Y202-Y215 AromaticContact CD1-CD1 3.7Å; Y202-Y215 HydrophobicContact CD1-CD1 3.7Å; Y202-Y215 AromaticContact CD1-CD2 3.92Å; Y202-Y215 HydrophobicContact CD1-CD2 3.92Å; Y202-Y215 AromaticContact CD1-CE1 3.99Å; Y202-Y215 HydrophobicContact CD1-CE1 3.99Å; Y202-Y215 HydrophobicContact CD1-CE2 4.19Å; Y202-Y215 AromaticContact CD1-CG 3.66Å; Y202-Y215 HydrophobicContact CD1-CG 3.66Å; Y202-Y215 HydrophobicContact CE1-CD1 4.21Å; Y202-Y215 HydrophobicContact CE1-CG 4.42Å; Y202-Y215 HydrophobicContact CG-CD2 4.4Å; K203-Y215 PolarHBondContact O-OH 3.3Å; F206-Y215 HydrophobicContact CE2-CD2 4.49Å; F206-Y215 AromaticContact CE2-CE2 3.82Å; F206-Y215 HydrophobicContact CE2-CE2 3.82Å; F206-Y215 HydrophobicContact CZ-CE2 4.08Å; L211-Y215 HydrophobicContact CD1-CD2 4.11Å; L211-Y215 HydrophobicContact CD1-CE2 4.27Å; Y215-D217 PolarHBondContact O-N 2.71Å; Y215-L218 HydrophobicContact CD2-CD1 4.15Å; Y215-L218 PolarHBondContact O-N 3.22Å |
| 216 | A | 92.7 | Very high | 92.5 | Very high | 35 Ų | 35 | 29.7 Ų | 29.7 | 29% | 0.289 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D134 L218 S219 N220 | D134-A216 HydrophobicContact CB-CB 3.93Å; D134-A216 PolarHBondContact O-N 2.95Å; D134-A216 VanDerWaalsContact O-N 3.15Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.28Å; A216-S219 PolarHBondContact O-N 3.2Å; A216-S219 VanDerWaalsContact O-N 3.13Å; A216-N220 PolarHBondContact O-N 2.95Å |
| 217 | D | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -55.8 | -44.9 | 178 | -66.2 | -28 | 0 | 0 | 0 | 111.9 | I77 Y81 R131 Y202 Y215 S219 N220 F223 | I77-D217 HydrophobicContact CD1-CB 4.14Å; Y81-D217 PolarHBondContact OH-OD1 2.85Å; R131-D217 IonicContact CZ-OD1 3.64Å; R131-D217 IonicContact CZ-OD2 3.61Å; R131-D217 IonicContact NH1-OD1 3.17Å; R131-D217 IonicContact NH1-OD2 3.81Å; R131-D217 PolarHBondContact NH1-OD2 3.4Å; R131-D217 VanDerWaalsContact NH2-CG 3.35Å; R131-D217 IonicContact NH2-OD1 2.76Å; R131-D217 PolarHBondContact NH2-OD1 3.06Å; R131-D217 IonicContact NH2-OD2 3.63Å; R131-D217 PolarHBondContact NH2-OD2 2.94Å; Y202-D217 HydrophobicContact CE1-CB 4.03Å; Y202-D217 WeakPolarHBondContact CE1-OD2 3.42Å; Y202-D217 PolarHBondContact OH-OD2 3.07Å; Y215-D217 PolarHBondContact O-N 2.71Å; D217-S219 PolarHBondContact O-N 3.02Å; D217-N220 WeakPolarHBondContact O-CB 3.45Å; D217-N220 PolarHBondContact O-N 3Å; D217-F223 HydrophobicContact CB-CD2 4.34Å; D217-F223 HydrophobicContact CB-CE2 4.31Å; D217-F223 VanDerWaalsContact O-CD2 3.27Å; D217-F223 WeakPolarHBondContact O-CD2 3.45Å |
| 218 | L | 94.5 | Very high | 93.3 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -69.1 | -19.4 | -177.6 | -63.3 | 179.8 | 0 | 0 | 0 | 113.4 | L41 V69 Y202 L211 W212 Y215 A216 F223 | L41-L218 HydrophobicContact CD1-CD2 4.34Å; V69-L218 HydrophobicContact CG1-CD1 3.88Å; V69-L218 HydrophobicContact CG1-CD2 3.79Å; Y202-L218 HydrophobicContact CD2-CD2 4.19Å; Y202-L218 HydrophobicContact CG-CD2 4.31Å; Y202-L218 HydrophobicContact CG-CG 4.47Å; L211-L218 HydrophobicContact CD1-CD1 4.09Å; L211-L218 HydrophobicContact CG-CD1 4.06Å; W212-L218 HydrophobicContact CE3-CB 4.21Å; W212-L218 HydrophobicContact CE3-CD1 4.25Å; W212-L218 HydrophobicContact CZ3-CD1 4.46Å; Y215-L218 HydrophobicContact CD2-CD1 4.15Å; Y215-L218 PolarHBondContact O-N 3.22Å; A216-L218 VanDerWaalsContact C-N 3.33Å; A216-L218 PolarHBondContact O-N 3.28Å; L218-F223 HydrophobicContact CD2-CE2 4.06Å; L218-F223 HydrophobicContact CD2-CZ 4.15Å |
| 219 | S | 90 | Very high | 93.7 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 45% | 0.448 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -87.7 | -10.1 | 175.2 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | W212 A216 D217 | W212-S219 PolarHBondContact O-OG 3.33Å; A216-S219 PolarHBondContact O-N 3.2Å; A216-S219 VanDerWaalsContact O-N 3.13Å; D217-S219 PolarHBondContact O-N 3.02Å |
| 220 | N | 92.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 23 Ų | 23 | 20% | 0.203 | 14% | 0.136 | C | C | . | . | trans | -77.1 | 126 | -174.8 | -169.9 | -32.5 | 0 | 0 | 0 | 111 | A216 D217 N222 F223 | A216-N220 PolarHBondContact O-N 2.95Å; D217-N220 WeakPolarHBondContact O-CB 3.45Å; D217-N220 PolarHBondContact O-N 3Å; N220-N222 PolarHBondContact O-N 3.38Å; N220-N222 WeakPolarHBondContact OD1-CB 3.28Å; N220-N222 PolarHBondContact OD1-N 2.87Å; N220-F223 VanDerWaalsContact O-CB 3.24Å; N220-F223 WeakPolarHBondContact O-CB 3.13Å; N220-F223 PolarHBondContact O-N 3.24Å | ||
| 221 | P | 91.1 | Very high | 94.1 | Very high | 91 Ų | 91 | 22.4 Ų | 22.4 | 59% | 0.591 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.4 | 177.6 | 22.6 | -31.1 | 0 | 0 | 0 | 114.2 | F223 | P221-F223 PolarHBondContact O-N 3.41Š|
| 222 | N | 93.1 | Very high | 93.9 | Very high | 76 Ų | 76 | 22.6 Ų | 22.6 | 41% | 0.406 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.2 | 174.1 | -67.5 | -16.4 | 0 | 0 | 0 | 113.2 | I77 N220 L224 | I77-N222 HydrophobicContact CG2-CB 4.08Å; I77-N222 VanDerWaalsContact CG2-O 3.29Å; I77-N222 WeakPolarHBondContact CG2-O 3.1Å; N220-N222 PolarHBondContact O-N 3.38Å; N220-N222 WeakPolarHBondContact OD1-CB 3.28Å; N220-N222 PolarHBondContact OD1-N 2.87Å; N222-L224 VanDerWaalsContact C-N 3.35Å; N222-L224 PolarHBondContact O-N 3.44Å |
| 223 | F | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -72.3 | 92 | 170.3 | -160.6 | -66.6 | 0 | 0 | 0 | 109.2 | N38 L41 T71 P74 I77 Y202 D217 L218 N220 P221 T225 | N38-F223 PolarHBondContact ND2-O 2.96Å; L41-F223 HydrophobicContact CD1-CD1 4.34Å; L41-F223 HydrophobicContact CD1-CE1 4.25Å; L41-F223 HydrophobicContact CD2-CB 4.05Å; L41-F223 HydrophobicContact CD2-CD1 3.74Å; L41-F223 HydrophobicContact CD2-CE1 4.39Å; L41-F223 HydrophobicContact CD2-CG 3.93Å; T71-F223 HydrophobicContact CG2-CE1 3.93Å; T71-F223 HydrophobicContact CG2-CZ 4.2Å; T71-F223 WeakPolarHBondContact OG1-CZ 3.29Å; P74-F223 HydrophobicContact CB-CD1 4Å; P74-F223 HydrophobicContact CB-CD2 3.9Å; P74-F223 HydrophobicContact CB-CE1 3.97Å; P74-F223 HydrophobicContact CB-CE2 3.91Å; P74-F223 HydrophobicContact CB-CG 3.97Å; P74-F223 HydrophobicContact CB-CZ 3.94Å; P74-F223 HydrophobicContact CG-CD2 4.05Å; P74-F223 HydrophobicContact CG-CE1 4.29Å; P74-F223 HydrophobicContact CG-CE2 3.62Å; P74-F223 HydrophobicContact CG-CZ 3.75Å; I77-F223 HydrophobicContact CD1-CD2 3.87Å; I77-F223 HydrophobicContact CD1-CE2 4.24Å; Y202-F223 HydrophobicContact CE2-CE2 4.03Å; Y202-F223 HydrophobicContact CE2-CZ 4.17Å; D217-F223 HydrophobicContact CB-CD2 4.34Å; D217-F223 HydrophobicContact CB-CE2 4.31Å; D217-F223 VanDerWaalsContact O-CD2 3.27Å; D217-F223 WeakPolarHBondContact O-CD2 3.45Å; L218-F223 HydrophobicContact CD2-CE2 4.06Å; L218-F223 HydrophobicContact CD2-CZ 4.15Å; N220-F223 VanDerWaalsContact O-CB 3.24Å; N220-F223 WeakPolarHBondContact O-CB 3.13Å; N220-F223 PolarHBondContact O-N 3.24Å; P221-F223 PolarHBondContact O-N 3.41Å; F223-T225 HydrophobicContact CE1-CG2 4.47Å | ||
| 224 | L | 96 | Very high | 93.1 | Very high | 50 Ų | 50 | 19 Ų | 19 | 26% | 0.262 | 12% | 0.115 | S | C | . | . | trans | -98.8 | 127.3 | 178.2 | -52.7 | -175.1 | 0 | 0 | 0 | 110.5 | R36 N38 E76 N222 | R36-L224 HydrophobicContact CB-CB 4.18Å; R36-L224 PolarHBondContact NE-O 2.97Å; R36-L224 PolarHBondContact NH2-O 3.38Å; N38-L224 HydrophobicContact CB-CD2 4.14Å; E76-L224 HydrophobicContact CG-CD1 4.05Å; N222-L224 VanDerWaalsContact C-N 3.35Å; N222-L224 PolarHBondContact O-N 3.44Å | ||
| 225 | T | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -142.4 | 149.9 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | R36 S37 V40 L41 T71 S72 F223 F227 | R36-T225 WeakPolarHBondContact CA-O 3.36Å; S37-T225 PolarHBondContact N-O 3.11Å; S37-T225 PolarHBondContact O-N 3.14Å; V40-T225 HydrophobicContact CB-CG2 4.16Å; V40-T225 HydrophobicContact CG1-CG2 4Å; L41-T225 HydrophobicContact CB-CG2 4.5Å; T71-T225 HydrophobicContact CG2-CG2 4.41Å; S72-T225 PolarHBondContact N-OG1 3.15Å; S72-T225 VanDerWaalsContact N-OG1 3.17Å; S72-T225 WeakPolarHBondContact OG-CA 3.28Å; S72-T225 WeakPolarHBondContact OG-CB 3.39Å; S72-T225 PolarHBondContact OG-OG1 2.79Å; F223-T225 HydrophobicContact CE1-CG2 4.47Å; T225-F227 WeakPolarHBondContact CG2-O 3.09Å; T225-F227 PolarHBondContact OG1-N 2.85Å; T225-F227 PolarHBondContact OG1-O 3.31Å |
| 226 | H | 95.2 | Very high | 90.8 | Very high | 23 Ų | 23 | 19.1 Ų | 19.1 | 11% | 0.106 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -93.2 | -15.6 | 174.1 | 63.4 | -79.3 | 0 | 0 | 0 | 113.2 | V30 N31 G34 R36 S72 G367 | V30-H226 WeakPolarHBondContact CA-O 3.46Å; N31-H226 PolarHBondContact N-O 3.08Å; G34-H226 WeakPolarHBondContact O-CB 3.44Å; R36-H226 HydrophobicContact CG-CB 3.89Å; S72-H226 WeakPolarHBondContact CB-CE1 3.2Å; S72-H226 VanDerWaalsContact CB-ND1 3.34Å; S72-H226 WeakPolarHBondContact CB-ND1 3.41Å; S72-H226 PolarHBondContact OG-N 3.15Å; S72-H226 PolarHBondContact OG-ND1 3.04Å; H226-G367 PolarHBondContact NE2-O 3.31Å |
| 227 | F | 96.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 17.5 Ų | 17.5 | 0% | 0.004 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157 | 172.2 | 82.5 | -87.4 | 0 | 0 | 0 | 112.6 | V29 V30 M70 T71 R199 T225 I229 I370 | V29-F227 CarbonylContact O-C 3.48Å; V29-F227 VanDerWaalsContact O-CA 3.24Å; V29-F227 WeakPolarHBondContact O-CA 3.41Å; V30-F227 HydrophobicContact CB-CB 4.12Å; V30-F227 HydrophobicContact CG2-CB 3.98Å; M70-F227 HydrophobicContact CG-CE2 4.15Å; M70-F227 HydrophobicContact CG-CZ 4.44Å; M70-F227 HydrophobicContact SD-CE2 4.31Å; T71-F227 VanDerWaalsContact C-CZ 3.49Å; R199-F227 HydrophobicContact CG-CZ 4.19Å; T225-F227 WeakPolarHBondContact CG2-O 3.09Å; T225-F227 PolarHBondContact OG1-N 2.85Å; T225-F227 PolarHBondContact OG1-O 3.31Å; F227-I229 HydrophobicContact CD2-CG1 4.28Å; F227-I229 HydrophobicContact CE2-CD1 4.33Å; F227-I229 HydrophobicContact CE2-CG1 4.37Å; F227-I370 HydrophobicContact CB-CD1 3.84Å; F227-I370 HydrophobicContact CD2-CD1 3.67Å; F227-I370 HydrophobicContact CG-CD1 4.05Å |
| 228 | A | 97.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 129.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F28 V29 V40 A44 V69 M70 T71 | F28-A228 CarbonylContact C-O 3.51Å; F28-A228 WeakPolarHBondContact CA-O 3.42Å; F28-A228 WeakPolarHBondContact CB-O 3.29Å; V29-A228 PolarHBondContact N-O 3.25Å; V29-A228 PolarHBondContact O-N 2.79Å; V40-A228 HydrophobicContact CG1-CB 4.06Å; A44-A228 HydrophobicContact CB-CB 3.73Å; V69-A228 HydrophobicContact CG2-CB 4.17Å; M70-A228 CarbonylContact O-C 3.6Å; M70-A228 VanDerWaalsContact O-CA 3.29Å; M70-A228 WeakPolarHBondContact O-CA 3.33Å; T71-A228 HydrophobicContact CG2-CB 4.26Å |
| 229 | I | 97.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.9 | 169.5 | -59.6 | 168.1 | 0 | 0 | 0 | 107.4 | G27 F28 V69 M70 F227 P247 A252 V363 I370 | G27-I229 WeakPolarHBondContact O-CA 3.24Å; F28-I229 HydrophobicContact CB-CG1 3.94Å; V69-I229 CarbonylContact C-O 3.6Å; V69-I229 VanDerWaalsContact CA-O 3.25Å; V69-I229 WeakPolarHBondContact CA-O 3.27Å; M70-I229 HydrophobicContact CB-CB 4.27Å; M70-I229 PolarHBondContact N-O 2.96Å; M70-I229 PolarHBondContact O-N 2.79Å; M70-I229 HydrophobicContact SD-CD1 4.01Å; F227-I229 HydrophobicContact CD2-CG1 4.28Å; F227-I229 HydrophobicContact CE2-CD1 4.33Å; F227-I229 HydrophobicContact CE2-CG1 4.37Å; I229-P247 HydrophobicContact CG2-CG 4.33Å; I229-A252 HydrophobicContact CG2-CB 3.82Å; I229-V363 HydrophobicContact CD1-CG1 3.95Å; I229-V363 HydrophobicContact CG1-CG1 3.95Å; I229-V363 HydrophobicContact CG2-CB 4.26Å; I229-V363 HydrophobicContact CG2-CG1 3.85Å; I229-I370 HydrophobicContact CD1-CD1 4.29Å; I229-I370 HydrophobicContact CG1-CD1 3.9Å |
| 230 | V | 95.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 149.4 | 178.8 | -68.1 | 0 | 0 | 0 | 0 | 110.9 | G27 A44 M47 L48 M51 G68 V69 W212 | G27-V230 PolarHBondContact N-O 3.11Å; G27-V230 VanDerWaalsContact N-O 3.11Å; G27-V230 PolarHBondContact O-N 3.13Å; A44-V230 HydrophobicContact CB-CG1 3.87Å; M47-V230 HydrophobicContact CG-CG2 4.34Å; M47-V230 HydrophobicContact SD-CG2 4.02Å; L48-V230 HydrophobicContact CB-CB 4.19Å; L48-V230 HydrophobicContact CB-CG1 4.43Å; L48-V230 HydrophobicContact CB-CG2 4.26Å; L48-V230 HydrophobicContact CD1-CB 4.2Å; L48-V230 HydrophobicContact CD2-CB 4.38Å; L48-V230 HydrophobicContact CG-CB 4.49Å; M51-V230 HydrophobicContact CE-CG2 4.18Å; G68-V230 WeakPolarHBondContact O-CA 3.5Å; V69-V230 HydrophobicContact CB-CG1 4.19Å; V69-V230 HydrophobicContact CG2-CG1 3.84Å; W212-V230 HydrophobicContact CH2-CG1 4.28Å; W212-V230 HydrophobicContact CZ2-CG1 4.29Å |
| 231 | H | 93.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 138.6 | -179.9 | -178.3 | -76.3 | 0 | 0 | 0 | 111.7 | C24 G25 S67 G68 H246 P247 A252 H253 | C24-H231 VanDerWaalsContact CB-CE1 3.46Å; C24-H231 WeakPolarHBondContact CB-CE1 3.27Å; C24-H231 WeakPolarHBondContact CB-NE2 3.39Å; C24-H231 PolarHBondContact SG-CE1 2.87Å; C24-H231 PolarHBondContact SG-NE2 2.87Å; G25-H231 CarbonylContact O-C 3.1Å; G25-H231 WeakPolarHBondContact O-CA 3.44Å; S67-H231 WeakPolarHBondContact CA-O 3.41Å; G68-H231 PolarHBondContact N-O 2.91Å; G68-H231 VanDerWaalsContact N-O 3.13Å; G68-H231 PolarHBondContact O-N 2.87Å; G68-H231 VanDerWaalsContact O-N 3.11Å; H231-H246 HydrophobicContact CB-CB 3.95Å; H231-H246 AromaticContact CD2-ND1 3.7Å; H231-H246 VanDerWaalsContact CE1-CB 3.42Å; H231-H246 WeakPolarHBondContact CE1-CB 3.34Å; H231-H246 AromaticContact CE1-CG 3.72Å; H231-H246 AromaticContact CE1-ND1 3.61Å; H231-H246 VanDerWaalsContact CG-CB 3.43Å; H231-H246 VanDerWaalsContact ND1-CB 3.29Å; H231-H246 WeakPolarHBondContact ND1-CB 3.21Å; H231-H246 AromaticContact NE2-CG 3.71Å; H231-H246 AromaticContact NE2-ND1 3.16Å; H231-H246 PolarHBondContact NE2-ND1 3.03Å; H231-H246 VanDerWaalsContact NE2-ND1 3.16Å; H231-P247 HydrophobicContact CB-CG 4.44Å; H231-A252 HydrophobicContact CB-CB 4.25Å; H231-H253 PolarHBondContact NE2-O 3.23Å |
| 232 | N | 89.1 | Confident | 84.4 | Confident | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.2 | 170.7 | -174.5 | 22.5 | 0 | 0 | 0 | 109.4 | C24 G25 L48 M51 G55 S67 T208 | C24-N232 CarbonylContact C-O 3.53Å; C24-N232 VanDerWaalsContact CA-O 3.28Å; C24-N232 WeakPolarHBondContact CA-O 3.46Å; C24-N232 WeakPolarHBondContact CB-O 3.3Å; G25-N232 PolarHBondContact N-O 2.91Å; G25-N232 PolarHBondContact O-N 2.68Å; L48-N232 HydrophobicContact CD1-CB 3.83Å; M51-N232 PolarHBondContact O-ND2 3.03Å; G55-N232 WeakPolarHBondContact CA-ND2 3.23Å; G55-N232 PolarHBondContact N-ND2 2.67Å; S67-N232 PolarHBondContact OG-OD1 3.48Å; T208-N232 HydrophobicContact CG2-CB 4.02Å; T208-N232 VanDerWaalsContact CG2-ND2 3.29Å; T208-N232 WeakPolarHBondContact CG2-ND2 3.45Å |
| 233 | R | 83.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 140.2 | -174.5 | -170.5 | 174.3 | 175.4 | -106.7 | 1.5 | 111.3 | E20 D22 C24 D65 G66 S235 | E20-R233 IonicContact OE1-CZ 3.76Å; E20-R233 IonicContact OE1-NH1 2.66Å; E20-R233 IonicContact OE1-NH2 2.69Å; E20-R233 PolarHBondContact OE1-NH2 3.24Å; E20-R233 IonicContact OE2-NH2 3.06Å; E20-R233 PolarHBondContact OE2-NH2 3.37Å; D22-R233 IonicContact OD1-CZ 3.16Å; D22-R233 IonicContact OD1-NE 3.83Å; D22-R233 PolarHBondContact OD1-NE 3.39Å; D22-R233 IonicContact OD1-NH2 3Å; D22-R233 PolarHBondContact OD1-NH2 2.71Å; D22-R233 IonicContact OD2-CZ 3.62Å; D22-R233 VanDerWaalsContact OD2-CZ 3.29Å; D22-R233 IonicContact OD2-NE 2.73Å; D22-R233 PolarHBondContact OD2-NE 2.86Å; D22-R233 IonicContact OD2-NH2 2.74Å; D22-R233 PolarHBondContact OD2-NH2 3.18Å; C24-R233 VanDerWaalsContact SG-CA 3.57Å; D65-R233 HydrophobicContact CB-CB 4.41Å; D65-R233 WeakPolarHBondContact CB-O 3.42Å; D65-R233 PolarHBondContact O-NH1 3.01Å; G66-R233 WeakPolarHBondContact O-CB 3.26Å; G66-R233 PolarHBondContact O-N 3.19Å; R233-S235 VanDerWaalsContact NH1-CB 3.31Å |
| 234 | F | 83.3 | Confident | 83.7 | Confident | 5 Ų | 5 | 15.9 Ų | 15.9 | 2% | 0.022 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 102.5 | 162.2 | -161.6 | -33.4 | 0 | 0 | 0 | 106.9 | A23 A56 I1048 E1049 A1052 K1086 A1087 | A23-F234 PolarHBondContact N-O 3.28Å; A23-F234 CarbonylContact O-C 3.52Å; A23-F234 WeakPolarHBondContact O-CA 3.16Å; A23-F234 WeakPolarHBondContact O-CB 3.41Å; A23-F234 PolarHBondContact O-N 2.89Å; A56-F234 HydrophobicContact CB-CD1 3.5Å; A56-F234 VanDerWaalsContact CB-CD1 3.5Å; A56-F234 HydrophobicContact CB-CD2 3.95Å; A56-F234 HydrophobicContact CB-CE1 3.37Å; A56-F234 HydrophobicContact CB-CE2 3.83Å; A56-F234 HydrophobicContact CB-CG 3.79Å; A56-F234 HydrophobicContact CB-CZ 3.55Å; F234-I1048 HydrophobicContact CB-CG2 4.19Å; F234-I1048 HydrophobicContact CD1-CG1 4.28Å; F234-I1048 HydrophobicContact CD1-CG2 3.82Å; F234-I1048 HydrophobicContact CD2-CG2 4.3Å; F234-I1048 HydrophobicContact CE1-CG1 3.82Å; F234-I1048 HydrophobicContact CE1-CG2 4.21Å; F234-I1048 HydrophobicContact CG-CG2 3.87Å; F234-I1048 HydrophobicContact CZ-CG1 3.96Å; F234-E1049 HydrophobicContact CD2-CB 4.19Å; F234-A1052 HydrophobicContact CE2-CB 4.2Å; F234-K1086 HydrophobicContact CE1-CB 3.93Å; F234-K1086 HydrophobicContact CZ-CB 4.17Å; F234-A1087 HydrophobicContact CZ-CB 4.34Å |
| 235 | S | 75 | Confident | 83.3 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 150 | 176 | 66.9 | 0 | 0 | 0 | 0 | 111 | D65 R233 N237 K1086 | D65-S235 PolarHBondContact OD2-N 3.22Å; D65-S235 PolarHBondContact OD2-OG 3.12Å; R233-S235 VanDerWaalsContact NH1-CB 3.31Å; S235-N237 PolarHBondContact O-N 3.33Å; S235-N237 PolarHBondContact OG-O 3.01Å; S235-K1086 PolarHBondContact O-NZ 3.02Å; S235-K1086 PolarHBondContact OG-NZ 3.45Å |
| 236 | T | 67 | Low | 83 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.006 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -76.2 | -3.6 | 174.9 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | H21 T543 I1079 A1082 G1083 | H21-T236 HydrophobicContact CB-CG2 4.29Å; H21-T236 PolarHBondContact N-OG1 2.84Å; H21-T236 PolarHBondContact O-N 3.23Å; H21-T236 VanDerWaalsContact O-N 3.13Å; H21-T236 PolarHBondContact O-OG1 3.26Å; T236-T543 HydrophobicContact CG2-CG2 3.9Å; T236-I1079 VanDerWaalsContact CB-CG2 3.47Å; T236-I1079 WeakPolarHBondContact OG1-CG2 3.46Å; T236-A1082 VanDerWaalsContact O-CB 3.32Å; T236-A1082 WeakPolarHBondContact O-CB 3.06Å; T236-G1083 PolarHBondContact O-N 2.9Å; T236-G1083 VanDerWaalsContact O-N 3.08Å |
| 237 | N | 66.3 | Low | 83 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -127.6 | -174.2 | 174.8 | 71.5 | 59.2 | 0 | 0 | 0 | 112.9 | E20 S235 F239 K1086 Q1130 | E20-N237 WeakPolarHBondContact CG-ND2 3.22Å; E20-N237 PolarHBondContact OE1-ND2 2.67Å; E20-N237 PolarHBondContact OE1-OD1 2.51Å; S235-N237 PolarHBondContact O-N 3.33Å; S235-N237 PolarHBondContact OG-O 3.01Å; N237-F239 HydrophobicContact CB-CD2 4.12Å; N237-F239 PolarHBondContact OD1-N 2.83Å; N237-K1086 PolarHBondContact O-NZ 3.29Å; N237-Q1130 VanDerWaalsContact CA-OE1 3.26Å |
| 238 | T | 55.1 | Low | 82.9 | Confident | 20 Ų | 20 | 12.4 Ų | 12.4 | 12% | 0.123 | 7% | 0.065 | C | C | . | . | trans | -120.8 | 9.8 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | A58 P240 K1086 Q1130 | A58-T238 HydrophobicContact CB-CG2 4.35Å; T238-P240 WeakPolarHBondContact O-CD 3.39Å; T238-P240 VanDerWaalsContact O-N 3.12Å; T238-K1086 HydrophobicContact CG2-CD 4.11Å; T238-Q1130 HydrophobicContact CG2-CB 4.44Å; T238-Q1130 WeakPolarHBondContact OG1-CA 3.49Å; T238-Q1130 WeakPolarHBondContact OG1-CB 3.43Å; T238-Q1130 WeakPolarHBondContact OG1-CG 3.4Å; T238-Q1130 PolarHBondContact OG1-OE1 3.23Å | ||
| 239 | F | 63.2 | Low | 82.7 | Confident | 83 Ų | 83 | 12.7 Ų | 12.7 | 36% | 0.364 | 7% | 0.066 | S | C | . | . | trans | -70 | 108.9 | 179.2 | -72 | -76.3 | 0 | 0 | 0 | 109.1 | F15 N237 S241 Q1130 | F15-F239 HydrophobicContact CE1-CD2 4.37Å; F15-F239 AromaticContact CE1-CE2 3.43Å; F15-F239 HydrophobicContact CE1-CE2 3.43Å; F15-F239 VanDerWaalsContact CE1-CE2 3.43Å; F15-F239 AromaticContact CE1-CZ 3.64Å; F15-F239 HydrophobicContact CE1-CZ 3.64Å; F15-F239 HydrophobicContact CE2-CE2 4.15Å; F15-F239 AromaticContact CZ-CD2 3.86Å; F15-F239 HydrophobicContact CZ-CD2 3.86Å; F15-F239 AromaticContact CZ-CE2 3.21Å; F15-F239 HydrophobicContact CZ-CE2 3.21Å; F15-F239 AromaticContact CZ-CZ 3.94Å; F15-F239 HydrophobicContact CZ-CZ 3.94Å; N237-F239 HydrophobicContact CB-CD2 4.12Å; N237-F239 PolarHBondContact OD1-N 2.83Å; F239-S241 PolarHBondContact O-N 3.28Å; F239-S241 VanDerWaalsContact O-N 3.08Å; F239-Q1130 HydrophobicContact CE2-CG 4.25Å | ||
| 240 | P | 66.6 | Low | 82.5 | Confident | 37 Ų | 37 | 12.7 Ų | 12.7 | 24% | 0.24 | 7% | 0.066 | C | C | . | . | trans | -65.7 | 114 | -174.7 | 25.1 | -31.9 | 0 | 0 | 0 | 110.4 | V143 E147 L205 T238 | V143-P240 HydrophobicContact CG1-CB 3.9Å; V143-P240 HydrophobicContact CG1-CG 3.62Å; E147-P240 HydrophobicContact CB-CB 4.38Å; E147-P240 HydrophobicContact CB-CG 4.47Å; E147-P240 HydrophobicContact CG-CB 4.06Å; E147-P240 HydrophobicContact CG-CG 3.64Å; L205-P240 HydrophobicContact CD1-CB 3.29Å; T238-P240 WeakPolarHBondContact O-CD 3.39Å; T238-P240 VanDerWaalsContact O-N 3.12Å | ||
| 241 | S | 80.2 | Confident | 82.5 | Confident | 31 Ų | 31 | 12.7 Ų | 12.7 | 22% | 0.217 | 7% | 0.066 | C | C | . | . | trans | -130 | 104.6 | 171.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | F239 S243 R244 | F239-S241 PolarHBondContact O-N 3.28Å; F239-S241 VanDerWaalsContact O-N 3.08Å; S241-S243 PolarHBondContact O-N 2.69Å; S241-R244 PolarHBondContact O-N 3.06Å | ||
| 242 | W | 88.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.015 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -57 | -34.6 | 175.3 | -78.4 | 75.1 | 0 | 0 | 0 | 112.7 | F101 I140 A144 E147 E148 P149 I151 G204 L205 F206 Y214 R244 A245 | F101-W242 HydrophobicContact CD2-CB 4.22Å; F101-W242 HydrophobicContact CE2-CB 4.04Å; F101-W242 HydrophobicContact CE2-CE3 4.36Å; F101-W242 HydrophobicContact CZ-CE3 4.24Å; I140-W242 HydrophobicContact CD1-CH2 4.48Å; I140-W242 HydrophobicContact CD1-CZ2 4.07Å; A144-W242 PolarHBondContact O-NE1 2.88Å; E147-W242 PolarHBondContact O-NE1 2.97Å; E148-W242 HydrophobicContact CB-CZ2 4.04Å; E148-W242 HydrophobicContact CG-CH2 4.13Å; E148-W242 HydrophobicContact CG-CZ2 3.9Å; P149-W242 HydrophobicContact CG-CB 4.25Å; P149-W242 HydrophobicContact CG-CD2 4.11Å; P149-W242 HydrophobicContact CG-CE3 4.09Å; P149-W242 HydrophobicContact CG-CG 4.18Å; I151-W242 HydrophobicContact CD1-CZ3 4.3Å; G204-W242 VanDerWaalsContact CA-CE3 3.42Å; L205-W242 HydrophobicContact CD1-CG 4.25Å; L205-W242 HydrophobicContact CG-CG 4.15Å; F206-W242 AromaticContact CE1-CH2 3.67Å; F206-W242 HydrophobicContact CE1-CH2 3.67Å; F206-W242 HydrophobicContact CE1-CZ3 4.07Å; F206-W242 HydrophobicContact CE2-CZ3 4.31Å; F206-W242 AromaticContact CZ-CH2 3.64Å; F206-W242 HydrophobicContact CZ-CH2 3.64Å; F206-W242 AromaticContact CZ-CZ3 3.54Å; F206-W242 HydrophobicContact CZ-CZ3 3.54Å; Y214-W242 HydrophobicContact CE1-CH2 4.15Å; Y214-W242 HydrophobicContact CE1-CZ3 4.24Å; Y214-W242 HydrophobicContact CE2-CH2 4.32Å; Y214-W242 AromaticContact CZ-CH2 3.82Å; W242-R244 VanDerWaalsContact C-N 3.34Å; W242-R244 PolarHBondContact O-N 2.77Å; W242-A245 PolarHBondContact O-N 3.45Å |
| 243 | S | 87.2 | Confident | 82.6 | Confident | 21 Ų | 21 | 12.6 Ų | 12.6 | 15% | 0.147 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -69.9 | -31.9 | -176.9 | -42.6 | 0 | 0 | 0 | 0 | 112.6 | H103 K203 S241 | H103-S243 PolarHBondContact CE1-OG 3.47Å; H103-S243 PolarHBondContact NE2-OG 2.92Å; H103-S243 VanDerWaalsContact NE2-OG 3.11Å; K203-S243 PolarHBondContact NZ-O 2.78Å; S241-S243 PolarHBondContact O-N 2.69Å |
| 244 | R | 85.8 | Confident | 82.9 | Confident | 49 Ų | 49 | 12.5 Ų | 12.5 | 19% | 0.185 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -78.7 | -16.7 | -178.8 | -70.1 | -175.5 | 176.1 | 171.2 | -5.9 | 113.5 | E20 S241 W242 H246 | E20-R244 WeakPolarHBondContact OE2-CD 3.33Å; E20-R244 IonicContact OE2-CZ 3.28Å; E20-R244 VanDerWaalsContact OE2-CZ 3.23Å; E20-R244 IonicContact OE2-NE 3.51Å; E20-R244 PolarHBondContact OE2-NE 3.36Å; E20-R244 IonicContact OE2-NH1 3.4Å; E20-R244 PolarHBondContact OE2-NH1 3.01Å; S241-R244 PolarHBondContact O-N 3.06Å; W242-R244 VanDerWaalsContact C-N 3.34Å; W242-R244 PolarHBondContact O-N 2.77Å; R244-H246 PolarHBondContact O-CD2 3.36Å |
| 245 | A | 88.4 | Confident | 83 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -55.7 | 150.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | K203 W242 | K203-A245 HydrophobicContact CB-CB 4.25Å; K203-A245 HydrophobicContact CD-CB 4.43Å; K203-A245 VanDerWaalsContact CD-O 3.25Å; K203-A245 WeakPolarHBondContact CD-O 3.46Å; K203-A245 VanDerWaalsContact CE-O 3.28Å; K203-A245 WeakPolarHBondContact CE-O 3.33Å; K203-A245 HydrophobicContact CG-CB 4.35Å; K203-A245 PolarHBondContact NZ-O 2.93Å; W242-A245 PolarHBondContact O-N 3.45Å |
| 246 | H | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -105.7 | 163.2 | 177.5 | -82.7 | -165.8 | 0 | 0 | 0 | 110.2 | G68 H231 R244 Q248 H253 S298 | G68-H246 VanDerWaalsContact CA-O 3.25Å; G68-H246 WeakPolarHBondContact CA-O 3.46Å; G68-H246 PolarHBondContact N-O 3.38Å; H231-H246 HydrophobicContact CB-CB 3.95Å; H231-H246 AromaticContact CD2-ND1 3.7Å; H231-H246 VanDerWaalsContact CE1-CB 3.42Å; H231-H246 WeakPolarHBondContact CE1-CB 3.34Å; H231-H246 AromaticContact CE1-CG 3.72Å; H231-H246 AromaticContact CE1-ND1 3.61Å; H231-H246 VanDerWaalsContact CG-CB 3.43Å; H231-H246 VanDerWaalsContact ND1-CB 3.29Å; H231-H246 WeakPolarHBondContact ND1-CB 3.21Å; H231-H246 AromaticContact NE2-CG 3.71Å; H231-H246 AromaticContact NE2-ND1 3.16Å; H231-H246 PolarHBondContact NE2-ND1 3.03Å; H231-H246 VanDerWaalsContact NE2-ND1 3.16Å; R244-H246 PolarHBondContact O-CD2 3.36Å; H246-Q248 PolarHBondContact CD2-NE2 3.16Å; H246-Q248 PolarHBondContact NE2-NE2 3.31Å; H246-H253 PolarHBondContact ND1-N 3.3Å; H246-H253 PolarHBondContact ND1-O 3.3Å; H246-S298 WeakPolarHBondContact CE1-CB 3.33Å; H246-S298 PolarHBondContact CE1-OG 3.42Å; H246-S298 WeakPolarHBondContact NE2-CB 3.1Å |
| 247 | P | 94.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | cis | -65.9 | 159.8 | -1.6 | -25.9 | 37.5 | 0 | 0 | 0 | 115.5 | G68 M70 K203 I229 H231 A252 | G68-P247 VanDerWaalsContact C-CD 3.41Å; M70-P247 HydrophobicContact CB-CB 4.02Å; M70-P247 HydrophobicContact CB-CG 3.97Å; M70-P247 HydrophobicContact CE-CB 3.96Å; K203-P247 WeakPolarHBondContact CD-O 3.22Å; I229-P247 HydrophobicContact CG2-CG 4.33Å; H231-P247 HydrophobicContact CB-CG 4.44Å; P247-A252 HydrophobicContact CB-CB 4.15Å; P247-A252 HydrophobicContact CG-CB 4.24Å | ||
| 248 | Q | 94 | Very high | 85.8 | Confident | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | trans | -83.3 | -158.1 | 166.8 | -57.9 | -60.9 | -8.5 | 0 | 0 | 110.2 | M70 Y191 H246 M251 D302 | M70-Q248 WeakPolarHBondContact CE-O 3.39Å; Y191-Q248 PolarHBondContact OH-OE1 3.41Å; H246-Q248 PolarHBondContact CD2-NE2 3.16Å; H246-Q248 PolarHBondContact NE2-NE2 3.31Å; Q248-M251 WeakPolarHBondContact CA-O 3.5Å; Q248-M251 HydrophobicContact CB-CE 3.89Å; Q248-M251 WeakPolarHBondContact CB-O 3.48Å; Q248-M251 HydrophobicContact CG-CE 3.49Å; Q248-M251 VanDerWaalsContact CG-CE 3.49Å; Q248-M251 PolarHBondContact N-O 3.48Å; Q248-D302 HydrophobicContact CB-CB 3.93Å; Q248-D302 HydrophobicContact CG-CB 4.39Å | ||
| 249 | R | 93.6 | Very high | 87.5 | Confident | 5 Ų | 5 | 12.6 Ų | 12.6 | 2% | 0.019 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -78.4 | -37.1 | -171.4 | -62.9 | 157.4 | -174.8 | 152.6 | 2.3 | 112.1 | M70 I192 C193 R199 E292 D302 N303 | M70-R249 WeakPolarHBondContact CE-O 3.16Å; I192-R249 PolarHBondContact O-NE 3.36Å; C193-R249 WeakPolarHBondContact O-CG 3.44Å; R199-R249 VanDerWaalsContact CZ-O 3.32Å; R199-R249 PolarHBondContact NH1-O 2.87Å; R249-E292 IonicContact CZ-OE1 3.38Å; R249-E292 IonicContact CZ-OE2 3.43Å; R249-E292 IonicContact NH1-OE1 3.47Å; R249-E292 PolarHBondContact NH1-OE1 2.92Å; R249-E292 IonicContact NH1-OE2 2.89Å; R249-E292 PolarHBondContact NH1-OE2 2.99Å; R249-E292 IonicContact NH2-OE1 3.5Å; R249-E292 PolarHBondContact NH2-OE1 3.01Å; R249-E292 IonicContact NH2-OE2 2.71Å; R249-E292 PolarHBondContact NH2-OE2 3.45Å; R249-D302 WeakPolarHBondContact CB-OD2 3.15Å; R249-D302 PolarHBondContact N-OD2 3.02Å; R249-N303 PolarHBondContact NH1-ND2 2.74Å |
| 250 | M | 94 | Very high | 88.7 | Confident | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -118.3 | -16.2 | 179.4 | -58.5 | -154.4 | 64.5 | 0 | 0 | 114.8 | R199 D302 M305 E306 L316 F364 S365 D366 | R199-M250 VanDerWaalsContact NH1-CG 3.34Å; M250-D302 WeakPolarHBondContact CA-OD1 3.38Å; M250-D302 WeakPolarHBondContact CB-OD1 3.36Å; M250-D302 PolarHBondContact N-OD1 3.32Å; M250-M305 HydrophobicContact CB-CE 3.38Å; M250-M305 HydrophobicContact CG-CE 4.36Å; M250-M305 HydrophobicContact SD-CE 4.49Å; M250-E306 HydrophobicContact CG-CB 4.07Å; M250-E306 HydrophobicContact CG-CG 3.96Å; M250-E306 HydrophobicContact SD-CB 3.74Å; M250-E306 HydrophobicContact SD-CG 3.66Å; M250-L316 HydrophobicContact CE-CD1 3.78Å; M250-L316 HydrophobicContact CE-CD2 3.97Å; M250-L316 HydrophobicContact CE-CG 4.4Å; M250-F364 CarbonylContact O-C 3.49Å; M250-F364 VanDerWaalsContact O-CA 3.24Å; M250-F364 WeakPolarHBondContact O-CA 3.14Å; M250-S365 PolarHBondContact O-N 3.37Å; M250-D366 HydrophobicContact CE-CB 3.97Å |
| 251 | M | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 162.6 | -172.5 | 59.2 | 118.4 | -118.8 | 0 | 0 | 114.4 | Q248 H253 S298 F301 D302 M305 I362 V363 F364 | Q248-M251 WeakPolarHBondContact CA-O 3.5Å; Q248-M251 HydrophobicContact CB-CE 3.89Å; Q248-M251 WeakPolarHBondContact CB-O 3.48Å; Q248-M251 HydrophobicContact CG-CE 3.49Å; Q248-M251 VanDerWaalsContact CG-CE 3.49Å; Q248-M251 PolarHBondContact N-O 3.48Å; M251-H253 HydrophobicContact CE-CB 3.74Å; M251-H253 HydrophobicContact SD-CB 3.85Å; M251-S298 VanDerWaalsContact CE-O 3.29Å; M251-S298 WeakPolarHBondContact CE-O 3.24Å; M251-F301 HydrophobicContact SD-CD1 4.22Å; M251-D302 HydrophobicContact CE-CB 4.12Å; M251-D302 HydrophobicContact CG-CB 3.93Å; M251-D302 WeakPolarHBondContact CG-OD1 2.86Å; M251-D302 PolarHBondContact N-OD1 2.99Å; M251-D302 HydrophobicContact SD-CB 4.44Å; M251-M305 HydrophobicContact CB-CE 3.94Å; M251-M305 HydrophobicContact CG-CE 3.87Å; M251-I362 HydrophobicContact CB-CG2 3.77Å; M251-I362 HydrophobicContact CG-CG2 4.35Å; M251-I362 HydrophobicContact SD-CD1 4.38Å; M251-I362 HydrophobicContact SD-CG2 4.01Å; M251-V363 CarbonylContact C-O 3.53Å; M251-V363 WeakPolarHBondContact CA-O 3.28Å; M251-V363 WeakPolarHBondContact CB-O 3.48Å; M251-F364 HydrophobicContact CB-CB 4.19Å |
| 252 | A | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V26 I229 H231 P247 V363 | V26-A252 HydrophobicContact CG2-CB 3.7Å; I229-A252 HydrophobicContact CG2-CB 3.82Å; H231-A252 HydrophobicContact CB-CB 4.25Å; P247-A252 HydrophobicContact CB-CB 4.15Å; P247-A252 HydrophobicContact CG-CB 4.24Å; A252-V363 PolarHBondContact N-O 3.23Å; A252-V363 PolarHBondContact O-N 3.04Å |
| 253 | H | 91.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.5 | -176.8 | 173.2 | -137.6 | 0 | 0 | 0 | 109.9 | H231 H246 M251 G255 E256 D297 S298 A360 | H231-H253 PolarHBondContact NE2-O 3.23Å; H246-H253 PolarHBondContact ND1-N 3.3Å; H246-H253 PolarHBondContact ND1-O 3.3Å; M251-H253 HydrophobicContact CE-CB 3.74Å; M251-H253 HydrophobicContact SD-CB 3.85Å; H253-G255 PolarHBondContact CE1-O 3.42Å; H253-G255 PolarHBondContact ND1-O 3.06Å; H253-E256 PolarHBondContact CE1-N 3.12Å; H253-D297 IonicContact CE1-OD2 2.93Å; H253-D297 IonicContact ND1-OD2 2.89Å; H253-S298 PolarHBondContact ND1-OG 2.71Å; H253-A360 WeakPolarHBondContact NE2-CB 3.36Å |
| 254 | N | 88.5 | Confident | 90.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 113.9 | 164.9 | 170 | 3.4 | 0 | 0 | 0 | 107.8 | C24 V26 L361 R380 E1049 | C24-N254 HydrophobicContact CB-CB 4.16Å; C24-N254 PolarHBondContact N-OD1 3.42Å; C24-N254 PolarHBondContact O-ND2 3.21Å; C24-N254 PolarHBondContact O-OD1 2.93Å; V26-N254 HydrophobicContact CB-CB 4.36Å; V26-N254 HydrophobicContact CG1-CB 3.75Å; N254-L361 HydrophobicContact CB-CB 4.25Å; N254-L361 PolarHBondContact N-O 3.01Å; N254-L361 PolarHBondContact O-N 3.49Å; N254-R380 WeakPolarHBondContact O-CG 3.49Å; N254-R380 PolarHBondContact OD1-NE 3.33Å; N254-R380 VanDerWaalsContact OD1-NE 3.09Å; N254-E1049 PolarHBondContact OD1-OE1 3.27Å |
| 255 | G | 86.1 | Confident | 90.3 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 2% | 0.021 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.7 | -164.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D22 H253 P359 | D22-G255 CarbonylContact O-C 3.56Å; H253-G255 PolarHBondContact CE1-O 3.42Å; H253-G255 PolarHBondContact ND1-O 3.06Å; G255-P359 CarbonylContact C-O 3.59Å; G255-P359 VanDerWaalsContact CA-O 3.23Å; G255-P359 WeakPolarHBondContact CA-O 3.5Å |
| 256 | E | 86.2 | Confident | 90.4 | Very high | 10 Ų | 10 | 11.4 Ų | 11.4 | 5% | 0.047 | 6% | 0.056 | C | C | . | . | trans | -142.7 | 132.5 | -170.9 | -174.2 | 66.1 | -149.3 | 0 | 0 | 110.3 | H21 D22 H253 N258 D297 G358 P359 N544 | H21-E256 VanDerWaalsContact CA-OE2 3.26Å; H21-E256 WeakPolarHBondContact CA-OE2 3.16Å; H21-E256 VanDerWaalsContact CB-OE2 3.26Å; H21-E256 WeakPolarHBondContact CB-OE2 3.43Å; H21-E256 IonicContact CE1-OE1 3.62Å; H21-E256 IonicContact CG-OE1 3.24Å; H21-E256 IonicContact CG-OE2 2.67Å; H21-E256 IonicContact ND1-OE1 3.73Å; H21-E256 PolarHBondContact ND1-OE1 2.87Å; H21-E256 IonicContact ND1-OE2 2.73Å; H21-E256 PolarHBondContact ND1-OE2 3.45Å; D22-E256 PolarHBondContact N-OE2 2.89Å; D22-E256 VanDerWaalsContact N-OE2 3.12Å; H253-E256 PolarHBondContact CE1-N 3.12Å; E256-N258 PolarHBondContact O-N 3.28Å; E256-D297 WeakPolarHBondContact CA-OD2 3.39Å; E256-G358 CarbonylContact O-C 3.43Å; E256-G358 WeakPolarHBondContact O-CA 3.26Å; E256-P359 PolarHBondContact N-O 3.31Å; E256-P359 WeakPolarHBondContact O-CD 3.44Å; E256-N544 HydrophobicContact CB-CB 4.36Å | ||
| 257 | I | 89.8 | Confident | 90.4 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.021 | 6% | 0.057 | C | C | . | . | trans | -89.4 | 98.2 | 174.4 | -52.2 | -59.3 | 0 | 0 | 0 | 110.7 | T259 L260 D297 F301 W356 D357 | I257-T259 PolarHBondContact O-N 2.91Å; I257-T259 VanDerWaalsContact O-N 3.11Å; I257-L260 PolarHBondContact O-N 2.89Å; I257-D297 HydrophobicContact CB-CB 4.17Å; I257-D297 HydrophobicContact CG1-CB 4.4Å; I257-D297 PolarHBondContact N-OD2 2.73Å; I257-F301 HydrophobicContact CD1-CD2 4.33Å; I257-W356 HydrophobicContact CG2-CB 4.21Å; I257-W356 HydrophobicContact CG2-CE3 3.92Å; I257-D357 CarbonylContact C-O 3.51Å; I257-D357 WeakPolarHBondContact CA-O 3.36Å; I257-D357 WeakPolarHBondContact CG2-O 3.44Å | ||
| 258 | N | 90.5 | Very high | 90.2 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 7% | 0.07 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1.2 | -174.8 | 66.1 | 8.9 | 0 | 0 | 0 | 115.4 | E256 D357 G358 M774 G775 | E256-N258 PolarHBondContact O-N 3.28Å; N258-D357 PolarHBondContact N-O 3.13Å; N258-D357 VanDerWaalsContact N-O 3.07Å; N258-D357 PolarHBondContact OD1-O 2.92Å; N258-G358 PolarHBondContact OD1-N 3.02Å; N258-M774 HydrophobicContact CB-CG 4.18Å; N258-M774 PolarHBondContact ND2-O 2.72Å; N258-G775 PolarHBondContact ND2-O 3.41Å |
| 259 | T | 91 | Very high | 90 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 10.1 | 179.9 | 47 | 0 | 0 | 0 | 0 | 113.2 | I257 R261 G262 N263 D357 I776 | I257-T259 PolarHBondContact O-N 2.91Å; I257-T259 VanDerWaalsContact O-N 3.11Å; T259-R261 VanDerWaalsContact C-N 3.35Å; T259-R261 PolarHBondContact O-N 3.44Å; T259-R261 VanDerWaalsContact O-N 3.15Å; T259-G262 PolarHBondContact O-N 2.87Å; T259-G262 VanDerWaalsContact O-N 3.11Å; T259-N263 VanDerWaalsContact O-CG 3.26Å; T259-N263 PolarHBondContact O-N 2.98Å; T259-N263 VanDerWaalsContact O-N 3.14Å; T259-N263 PolarHBondContact O-ND2 3.39Å; T259-N263 PolarHBondContact OG1-ND2 3.41Å; T259-D357 HydrophobicContact CG2-CB 3.96Å; T259-D357 PolarHBondContact OG1-N 2.99Å; T259-D357 PolarHBondContact OG1-O 3.36Å; T259-I776 HydrophobicContact CG2-CB 4.47Å; T259-I776 HydrophobicContact CG2-CD1 3.82Å; T259-I776 HydrophobicContact CG2-CG1 3.79Å; T259-I776 HydrophobicContact CG2-CG2 3.89Å |
| 260 | L | 89 | Confident | 89.8 | Confident | 47 Ų | 47 | 18 Ų | 18 | 25% | 0.246 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -48.1 | -48.8 | -169.8 | -179.1 | 65.2 | 0 | 0 | 0 | 114.2 | I257 G262 N263 V264 D297 W356 | I257-L260 PolarHBondContact O-N 2.89Å; L260-G262 VanDerWaalsContact C-N 3.32Å; L260-G262 PolarHBondContact O-N 3.5Å; L260-N263 PolarHBondContact O-N 2.78Å; L260-V264 HydrophobicContact CD1-CG2 3.81Å; L260-V264 HydrophobicContact CG-CG2 4.17Å; L260-V264 VanDerWaalsContact O-CG2 3.32Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 3.14Å; L260-D297 HydrophobicContact CD1-CB 4.35Å; L260-D297 HydrophobicContact CD2-CB 3.87Å; L260-W356 HydrophobicContact CD1-CH2 4.39Å; L260-W356 HydrophobicContact CD1-CZ3 3.85Å |
| 261 | R | 86.9 | Confident | 89.7 | Confident | 70 Ų | 70 | 18.9 Ų | 18.9 | 26% | 0.264 | 9% | 0.085 | S | C | . | . | H | α-helix | trans | -61.3 | -40.5 | -175 | -164.9 | 174.1 | -70.9 | 168.4 | 0.3 | 112 | E19 T259 N265 G804 | E19-R261 IonicContact OE1-NH2 3.37Å; E19-R261 PolarHBondContact OE1-NH2 3.23Å; T259-R261 VanDerWaalsContact C-N 3.35Å; T259-R261 PolarHBondContact O-N 3.44Å; T259-R261 VanDerWaalsContact O-N 3.15Å; R261-N265 WeakPolarHBondContact O-CB 3.37Å; R261-N265 PolarHBondContact O-N 3.24Å; R261-N265 VanDerWaalsContact O-N 3.11Å; R261-N265 PolarHBondContact O-ND2 2.92Å; R261-G804 PolarHBondContact NH1-O 3.1Å; R261-G804 VanDerWaalsContact NH1-O 3.08Å |
| 262 | G | 88.7 | Confident | 89.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66 | -46.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T259 L260 V264 N265 Y266 | T259-G262 PolarHBondContact O-N 2.87Å; T259-G262 VanDerWaalsContact O-N 3.11Å; L260-G262 VanDerWaalsContact C-N 3.32Å; L260-G262 PolarHBondContact O-N 3.5Å; G262-V264 PolarHBondContact O-N 3.22Å; G262-N265 PolarHBondContact O-N 2.88Å; G262-Y266 PolarHBondContact O-N 3.09Å |
| 263 | N | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | -179.4 | -59 | -24.7 | 0 | 0 | 0 | 112 | T259 L260 Y266 C267 E354 W356 | T259-N263 VanDerWaalsContact O-CG 3.26Å; T259-N263 PolarHBondContact O-N 2.98Å; T259-N263 VanDerWaalsContact O-N 3.14Å; T259-N263 PolarHBondContact O-ND2 3.39Å; T259-N263 PolarHBondContact OG1-ND2 3.41Å; L260-N263 PolarHBondContact O-N 2.78Å; N263-Y266 PolarHBondContact O-N 3.28Å; N263-C267 VanDerWaalsContact O-CB 3.27Å; N263-C267 WeakPolarHBondContact O-CB 3.19Å; N263-C267 PolarHBondContact O-N 2.79Å; N263-E354 WeakPolarHBondContact OD1-CG 3.42Å; N263-W356 HydrophobicContact CB-CD2 3.89Å; N263-W356 VanDerWaalsContact CB-CE2 3.47Å; N263-W356 HydrophobicContact CB-CE3 4.3Å; N263-W356 HydrophobicContact CB-CG 4.44Å; N263-W356 HydrophobicContact CB-CH2 4.01Å; N263-W356 HydrophobicContact CB-CZ2 3.56Å; N263-W356 HydrophobicContact CB-CZ3 4.35Å |
| 264 | V | 89 | Confident | 89 | Confident | 44 Ų | 44 | 23.5 Ų | 23.5 | 27% | 0.267 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.9 | -42.7 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L260 G262 Y266 C267 R268 | L260-V264 HydrophobicContact CD1-CG2 3.81Å; L260-V264 HydrophobicContact CG-CG2 4.17Å; L260-V264 VanDerWaalsContact O-CG2 3.32Å; L260-V264 WeakPolarHBondContact O-CG2 3.38Å; L260-V264 PolarHBondContact O-N 3.14Å; G262-V264 PolarHBondContact O-N 3.22Å; V264-Y266 PolarHBondContact O-N 3.35Å; V264-C267 PolarHBondContact O-N 2.94Å; V264-R268 PolarHBondContact O-N 2.95Å |
| 265 | N | 86.3 | Confident | 89.2 | Confident | 28 Ų | 28 | 29.4 Ų | 29.4 | 15% | 0.15 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -43.4 | 177.7 | -77.9 | -22.2 | 0 | 0 | 0 | 112.1 | R261 G262 R268 A269 | R261-N265 WeakPolarHBondContact O-CB 3.37Å; R261-N265 PolarHBondContact O-N 3.24Å; R261-N265 VanDerWaalsContact O-N 3.11Å; R261-N265 PolarHBondContact O-ND2 2.92Å; G262-N265 PolarHBondContact O-N 2.88Å; N265-R268 PolarHBondContact O-N 3.08Å; N265-A269 WeakPolarHBondContact O-CB 3.43Å; N265-A269 PolarHBondContact O-N 3.27Å |
| 266 | Y | 90.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 30 Ų | 30 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.5 | -37 | 175.8 | -68.1 | -31.2 | 0 | 0 | 0 | 112.9 | G262 N263 V264 R268 A269 R270 E354 M698 K783 S784 | G262-Y266 PolarHBondContact O-N 3.09Å; N263-Y266 PolarHBondContact O-N 3.28Å; V264-Y266 PolarHBondContact O-N 3.35Å; Y266-R268 VanDerWaalsContact C-N 3.28Å; Y266-R268 PolarHBondContact O-N 2.81Å; Y266-A269 PolarHBondContact O-N 3.38Å; Y266-A269 VanDerWaalsContact O-N 3.16Å; Y266-R270 VanDerWaalsContact CB-NH1 3.28Å; Y266-R270 VanDerWaalsContact O-CG 3.24Å; Y266-R270 WeakPolarHBondContact O-CG 3.4Å; Y266-R270 PolarHBondContact O-N 3.23Å; Y266-E354 HydrophobicContact CD2-CG 4.19Å; Y266-M698 HydrophobicContact CD1-CE 3.42Å; Y266-M698 VanDerWaalsContact CD1-CE 3.42Å; Y266-M698 HydrophobicContact CD1-SD 4.42Å; Y266-M698 HydrophobicContact CE1-CE 3.7Å; Y266-M698 HydrophobicContact CG-CE 4.24Å; Y266-K783 WeakPolarHBondContact OH-CB 3.47Å; Y266-K783 PolarHBondContact OH-O 3.23Å; Y266-S784 VanDerWaalsContact OH-CB 3.3Å; Y266-S784 WeakPolarHBondContact OH-CB 2.98Å |
| 267 | C | 90.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.027 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.3 | -45.7 | 173.1 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | N263 V264 R270 I291 M304 | N263-C267 VanDerWaalsContact O-CB 3.27Å; N263-C267 WeakPolarHBondContact O-CB 3.19Å; N263-C267 PolarHBondContact O-N 2.79Å; V264-C267 PolarHBondContact O-N 2.94Å; C267-R270 PolarHBondContact O-N 3.41Å; C267-I291 HydrophobicContact CB-CG1 4.43Å; C267-M304 PolarHBondContact SG-SD 2.85Å |
| 268 | R | 88.7 | Confident | 89.6 | Confident | 137 Ų | 137 | 42.6 Ų | 42.6 | 52% | 0.517 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.9 | -171.1 | 176.7 | -176.2 | 171.3 | 2.5 | 112.5 | V264 N265 Y266 R270 Q271 | V264-R268 PolarHBondContact O-N 2.95Å; N265-R268 PolarHBondContact O-N 3.08Å; Y266-R268 VanDerWaalsContact C-N 3.28Å; Y266-R268 PolarHBondContact O-N 2.81Å; R268-R270 PolarHBondContact O-N 2.56Å; R268-Q271 WeakPolarHBondContact O-CG 3.49Å; R268-Q271 PolarHBondContact O-N 3.04Å |
| 269 | A | 89.6 | Confident | 89.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.7 | -23.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N265 Y266 R697 M698 | N265-A269 WeakPolarHBondContact O-CB 3.43Å; N265-A269 PolarHBondContact O-N 3.27Å; Y266-A269 PolarHBondContact O-N 3.38Å; Y266-A269 VanDerWaalsContact O-N 3.16Å; A269-R697 HydrophobicContact CB-CB 4.3Å; A269-M698 HydrophobicContact CB-CE 4.35Å; A269-M698 HydrophobicContact CB-CG 3.84Å |
| 270 | R | 90.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -80.3 | -20.4 | -179.8 | -75.3 | 173.3 | 178.5 | 113.6 | 10.4 | 114.5 | Y266 C267 R268 S272 L273 M274 S352 E354 Q565 M698 | Y266-R270 VanDerWaalsContact CB-NH1 3.28Å; Y266-R270 VanDerWaalsContact O-CG 3.24Å; Y266-R270 WeakPolarHBondContact O-CG 3.4Å; Y266-R270 PolarHBondContact O-N 3.23Å; C267-R270 PolarHBondContact O-N 3.41Å; R268-R270 PolarHBondContact O-N 2.56Å; R270-S272 PolarHBondContact O-N 2.7Å; R270-S272 VanDerWaalsContact O-N 3.08Å; R270-L273 PolarHBondContact O-N 2.8Å; R270-M274 HydrophobicContact CB-CE 3.39Å; R270-M274 HydrophobicContact CG-CE 4.4Å; R270-M274 WeakPolarHBondContact O-CG 3.42Å; R270-M274 PolarHBondContact O-N 2.82Å; R270-S352 PolarHBondContact NH2-O 2.91Å; R270-E354 IonicContact CZ-OE1 3.41Å; R270-E354 IonicContact CZ-OE2 2.69Å; R270-E354 VanDerWaalsContact NH1-CD 3.35Å; R270-E354 IonicContact NH1-OE1 2.56Å; R270-E354 PolarHBondContact NH1-OE1 3.37Å; R270-E354 IonicContact NH1-OE2 2.73Å; R270-E354 PolarHBondContact NH1-OE2 3.08Å; R270-E354 IonicContact NH2-OE1 3.23Å; R270-E354 IonicContact NH2-OE2 3.92Å; R270-E354 PolarHBondContact NH2-OE2 3.39Å; R270-Q565 VanDerWaalsContact NE-OE1 3.11Å; R270-Q565 VanDerWaalsContact NH2-OE1 3.09Å; R270-M698 HydrophobicContact CG-CG 3.76Å; R270-M698 HydrophobicContact CG-SD 4.05Å |
| 271 | Q | 90.8 | Very high | 89.7 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -53.3 | -37 | -171.6 | -62.1 | -177.2 | 149.7 | 0 | 0 | 112.6 | R268 L273 M274 F288 I290 E695 | R268-Q271 WeakPolarHBondContact O-CG 3.49Å; R268-Q271 PolarHBondContact O-N 3.04Å; Q271-L273 VanDerWaalsContact C-N 3.25Å; Q271-L273 PolarHBondContact O-N 3.5Å; Q271-M274 PolarHBondContact O-N 2.65Å; Q271-F288 HydrophobicContact CB-CD2 4.36Å; Q271-F288 HydrophobicContact CB-CE1 4.31Å; Q271-F288 HydrophobicContact CB-CE2 4.11Å; Q271-F288 HydrophobicContact CB-CZ 4.08Å; Q271-F288 HydrophobicContact CG-CD1 4.2Å; Q271-F288 HydrophobicContact CG-CE1 4.22Å; Q271-F288 HydrophobicContact CG-CG 4.46Å; Q271-F288 HydrophobicContact CG-CZ 4.5Å; Q271-I290 HydrophobicContact CG-CD1 4.29Å; Q271-E695 PolarHBondContact NE2-OE1 3.19Å |
| 272 | S | 86 | Confident | 89.8 | Confident | 44 Ų | 44 | 53.3 Ų | 53.3 | 31% | 0.308 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -67.8 | -18.4 | 179.6 | 77.8 | 0 | 0 | 0 | 0 | 115.2 | R270 E695 | R270-S272 PolarHBondContact O-N 2.7Å; R270-S272 VanDerWaalsContact O-N 3.08Å; S272-E695 WeakPolarHBondContact CB-OE2 3.08Å; S272-E695 PolarHBondContact N-OE2 2.96Å; S272-E695 PolarHBondContact OG-O 3.07Å |
| 273 | L | 89.4 | Confident | 90 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -100.7 | -11.8 | -178.5 | -64.1 | 175.4 | 0 | 0 | 0 | 112.9 | R270 Q271 M698 R699 | R270-L273 PolarHBondContact O-N 2.8Å; Q271-L273 VanDerWaalsContact C-N 3.25Å; Q271-L273 PolarHBondContact O-N 3.5Å; L273-M698 HydrophobicContact CD1-CB 3.61Å; L273-R699 HydrophobicContact CD2-CG 4.18Å |
| 274 | M | 91.2 | Very high | 90 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -82.1 | 133.8 | -173.1 | -67.6 | -173.4 | -167.3 | 0 | 0 | 112.3 | R270 Q271 M284 I290 F307 N567 I568 L569 | R270-M274 HydrophobicContact CB-CE 3.39Å; R270-M274 HydrophobicContact CG-CE 4.4Å; R270-M274 WeakPolarHBondContact O-CG 3.42Å; R270-M274 PolarHBondContact O-N 2.82Å; Q271-M274 PolarHBondContact O-N 2.65Å; M274-M284 HydrophobicContact CB-CE 4.16Å; M274-I290 HydrophobicContact CE-CD1 3.72Å; M274-I290 HydrophobicContact SD-CD1 3.71Å; M274-F307 HydrophobicContact SD-CE1 3.59Å; M274-F307 VanDerWaalsContact SD-CE1 3.59Å; M274-F307 HydrophobicContact SD-CZ 4.08Å; M274-N567 WeakPolarHBondContact CA-OD1 3.33Å; M274-I568 HydrophobicContact CE-CD1 3.44Å; M274-I568 VanDerWaalsContact CE-CD1 3.44Å; M274-I568 HydrophobicContact CE-CG1 3.83Å; M274-I568 HydrophobicContact CG-CG1 4.3Å; M274-I568 HydrophobicContact SD-CD1 4.39Å; M274-I568 HydrophobicContact SD-CG1 4.32Å; M274-L569 HydrophobicContact CB-CD1 4.08Å | ||
| 275 | F | 92.6 | Very high | 90.1 | Very high | 123 Ų | 123 | 58.3 Ų | 58.3 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | trans | -142.6 | 144.3 | 166.2 | 66.5 | -88.8 | 0 | 0 | 0 | 110.1 | N567 I570 | F275-N567 HydrophobicContact CD1-CB 3.86Å; F275-N567 VanDerWaalsContact CD1-ND2 3.33Å; F275-N567 WeakPolarHBondContact CD1-ND2 3.41Å; F275-N567 HydrophobicContact CE1-CB 3.51Å; F275-N567 VanDerWaalsContact CE1-ND2 3.26Å; F275-N567 WeakPolarHBondContact CE1-ND2 3.43Å; F275-N567 HydrophobicContact CZ-CB 4.27Å; F275-N567 WeakPolarHBondContact CZ-ND2 3.38Å; F275-N567 PolarHBondContact N-OD1 3.16Å; F275-N567 PolarHBondContact O-ND2 3.42Å; F275-I570 HydrophobicContact CD2-CD1 3.87Å; F275-I570 HydrophobicContact CE2-CD1 3.45Å; F275-I570 VanDerWaalsContact CE2-CD1 3.45Å; F275-I570 HydrophobicContact CZ-CD1 4.22Å | ||
| 276 | S | 92.2 | Very high | 90.4 | Very high | 15 Ų | 15 | 60.2 Ų | 60.2 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | trans | -112 | 155.3 | -177.4 | 179.6 | 0 | 0 | 0 | 0 | 110.8 | Y278 A311 | S276-Y278 VanDerWaalsContact C-N 3.35Å; S276-Y278 PolarHBondContact OG-N 2.89Å; S276-Y278 VanDerWaalsContact OG-N 3.08Å; S276-A311 VanDerWaalsContact CB-O 3.25Å; S276-A311 WeakPolarHBondContact CB-O 3.21Å; S276-A311 PolarHBondContact OG-O 3.38Å | ||
| 277 | R | 89.4 | Confident | 90.5 | Very high | 173 Ų | 173 | 59.6 Ų | 59.6 | 65% | 0.653 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -77.7 | -23.6 | 168.4 | -64.8 | -178.3 | 177.7 | -175.9 | 0.3 | 112.5 | D313 I570 | R277-D313 WeakPolarHBondContact CD-OD2 3.24Å; R277-D313 IonicContact CZ-OD2 3.62Å; R277-D313 VanDerWaalsContact CZ-OD2 3.22Å; R277-D313 IonicContact NE-OD2 2.65Å; R277-D313 PolarHBondContact NE-OD2 3.47Å; R277-D313 IonicContact NH1-OD2 2.83Å; R277-D313 PolarHBondContact NH1-OD2 3.05Å; R277-D313 VanDerWaalsContact NH1-OD2 3.16Å; R277-D313 IonicContact NH2-OD2 3.67Å; R277-I570 HydrophobicContact CG-CD1 3.77Å; R277-I570 HydrophobicContact CG-CG1 4.39Å |
| 278 | Y | 89 | Confident | 90.5 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -92.6 | -24.9 | -173.5 | -52.6 | -66.9 | 0 | 0 | 0 | 113.1 | T169 S276 D313 | T169-Y278 HydrophobicContact CG2-CE1 4.49Å; S276-Y278 VanDerWaalsContact C-N 3.35Å; S276-Y278 PolarHBondContact OG-N 2.89Å; S276-Y278 VanDerWaalsContact OG-N 3.08Å; Y278-D313 PolarHBondContact OH-OD1 2.8Å |
| 279 | Y | 91.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 58 Ų | 58 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -121.8 | 135.7 | -175.5 | -56.3 | -70.6 | 0 | 0 | 0 | 111.6 | S173 F176 L177 Q283 M284 L287 Q310 A311 | S173-Y279 VanDerWaalsContact CA-OH 3.23Å; S173-Y279 WeakPolarHBondContact CA-OH 3.46Å; S173-Y279 WeakPolarHBondContact CB-OH 3.15Å; S173-Y279 PolarHBondContact O-OH 3.21Å; S173-Y279 VanDerWaalsContact O-OH 3.04Å; F176-Y279 WeakPolarHBondContact CD1-OH 3.25Å; L177-Y279 HydrophobicContact CB-CE1 4.11Å; Y279-Q283 HydrophobicContact CD1-CB 4.23Å; Y279-M284 HydrophobicContact CD2-SD 4.19Å; Y279-M284 HydrophobicContact CG-SD 4.45Å; Y279-L287 HydrophobicContact CD2-CD1 3.91Å; Y279-L287 HydrophobicContact CE2-CD1 4.04Å; Y279-L287 HydrophobicContact CG-CD1 4.17Å; Y279-Q310 WeakPolarHBondContact CE2-O 3.14Å; Y279-Q310 PolarHBondContact OH-O 3.43Å; Y279-A311 HydrophobicContact CD2-CB 4.02Å; Y279-A311 HydrophobicContact CE2-CB 3.74Å |
| 280 | T | 91.2 | Very high | 90.8 | Very high | 82 Ų | 82 | 58 Ų | 58 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | trans | -65.9 | 162.9 | 167.1 | 63.3 | 0 | 0 | 0 | 0 | 111 | A282 Q283 M284 | T280-A282 PolarHBondContact O-N 3.37Å; T280-Q283 PolarHBondContact O-N 3.36Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.42Å; T280-Q283 PolarHBondContact OG1-N 2.89Å; T280-Q283 PolarHBondContact OG1-OE1 2.75Å; T280-M284 WeakPolarHBondContact O-CG 3.24Å; T280-M284 PolarHBondContact O-N 2.73Å | ||
| 281 | K | 87.9 | Confident | 90.9 | Very high | 193 Ų | 193 | 58.8 Ų | 58.8 | 84% | 0.839 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.4 | -36.1 | 177.9 | -156.8 | 176.7 | -175.1 | -179 | 0 | 112.9 | S285 | K281-S285 PolarHBondContact O-N 3.42Å |
| 282 | A | 89.8 | Confident | 90.8 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 56% | 0.562 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.7 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | T280 S285 | T280-A282 PolarHBondContact O-N 3.37Å; A282-S285 PolarHBondContact O-N 2.76Å; A282-S285 PolarHBondContact O-OG 3.08Å |
| 283 | Q | 91.7 | Very high | 90.5 | Very high | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 175.4 | -72.5 | 165.1 | -47.4 | 0 | 0 | 111.8 | L177 Y279 T280 S285 K286 L287 | L177-Q283 HydrophobicContact CD1-CB 4.43Å; L177-Q283 HydrophobicContact CD2-CB 4.41Å; L177-Q283 HydrophobicContact CD2-CG 4.01Å; Y279-Q283 HydrophobicContact CD1-CB 4.23Å; T280-Q283 PolarHBondContact O-N 3.36Å; T280-Q283 WeakPolarHBondContact OG1-CG 3.42Å; T280-Q283 PolarHBondContact OG1-N 2.89Å; T280-Q283 PolarHBondContact OG1-OE1 2.75Å; Q283-S285 VanDerWaalsContact C-N 3.26Å; Q283-S285 PolarHBondContact O-N 3.38Å; Q283-K286 WeakPolarHBondContact O-CB 3.41Å; Q283-K286 PolarHBondContact O-N 3.18Å; Q283-L287 PolarHBondContact O-N 3Å |
| 284 | M | 92.3 | Very high | 89.8 | Confident | 6 Ų | 6 | 65.4 Ų | 65.4 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55 | -42.5 | 174.8 | -75.4 | -65.7 | -61.4 | 0 | 0 | 111.9 | M274 Y279 T280 K286 L287 F288 F307 L569 | M274-M284 HydrophobicContact CB-CE 4.16Å; Y279-M284 HydrophobicContact CD2-SD 4.19Å; Y279-M284 HydrophobicContact CG-SD 4.45Å; T280-M284 WeakPolarHBondContact O-CG 3.24Å; T280-M284 PolarHBondContact O-N 2.73Å; M284-K286 PolarHBondContact O-N 3.49Å; M284-L287 WeakPolarHBondContact O-CB 3.44Å; M284-L287 PolarHBondContact O-N 3.17Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; M284-F288 HydrophobicContact CE-CE1 4.05Å; M284-F288 HydrophobicContact CE-CZ 3.71Å; M284-F307 HydrophobicContact CE-CZ 3.91Å; M284-L569 HydrophobicContact CE-CD1 4Å |
| 285 | S | 90.9 | Very high | 89.2 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 53% | 0.531 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -28.3 | 178.4 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | K281 A282 Q283 L287 | K281-S285 PolarHBondContact O-N 3.42Å; A282-S285 PolarHBondContact O-N 2.76Å; A282-S285 PolarHBondContact O-OG 3.08Å; Q283-S285 VanDerWaalsContact C-N 3.26Å; Q283-S285 PolarHBondContact O-N 3.38Å; S285-L287 VanDerWaalsContact C-N 3.35Å |
| 286 | K | 92.4 | Very high | 88.8 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 30% | 0.296 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -76.8 | -21.1 | 175.8 | -62.2 | -174.2 | 175.4 | -166.3 | 0 | 113.2 | E122 L177 Y181 N184 Q283 M284 F288 | E122-K286 IonicContact OE2-NZ 3.57Å; E122-K286 PolarHBondContact OE2-NZ 3.19Å; L177-K286 HydrophobicContact CD1-CB 4.4Å; Y181-K286 HydrophobicContact CD1-CD 3.95Å; Y181-K286 HydrophobicContact CD2-CB 4.17Å; Y181-K286 HydrophobicContact CD2-CD 4.43Å; Y181-K286 HydrophobicContact CE1-CD 3.85Å; Y181-K286 HydrophobicContact CE2-CD 4.3Å; Y181-K286 HydrophobicContact CE2-CG 4.47Å; Y181-K286 HydrophobicContact CG-CB 4.23Å; Y181-K286 HydrophobicContact CG-CD 4.29Å; N184-K286 PolarHBondContact ND2-O 3.1Å; Q283-K286 WeakPolarHBondContact O-CB 3.41Å; Q283-K286 PolarHBondContact O-N 3.18Å; M284-K286 PolarHBondContact O-N 3.49Å; K286-F288 VanDerWaalsContact C-N 3.3Å |
| 287 | L | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -78.3 | -18.1 | 176.2 | -62.3 | 175.4 | 0 | 0 | 0 | 112.2 | F176 L177 K180 N184 Y279 Q283 M284 S285 P289 F307 | F176-L287 HydrophobicContact CD1-CD2 4.13Å; F176-L287 HydrophobicContact CE1-CD1 4.27Å; F176-L287 HydrophobicContact CE1-CD2 3.84Å; L177-L287 HydrophobicContact CD1-CD2 3.65Å; L177-L287 HydrophobicContact CD1-CG 4.06Å; K180-L287 HydrophobicContact CB-CD2 3.77Å; K180-L287 HydrophobicContact CG-CB 4.45Å; K180-L287 HydrophobicContact CG-CD2 4Å; N184-L287 PolarHBondContact ND2-O 3.14Å; Y279-L287 HydrophobicContact CD2-CD1 3.91Å; Y279-L287 HydrophobicContact CE2-CD1 4.04Å; Y279-L287 HydrophobicContact CG-CD1 4.17Å; Q283-L287 PolarHBondContact O-N 3Å; M284-L287 WeakPolarHBondContact O-CB 3.44Å; M284-L287 PolarHBondContact O-N 3.17Å; M284-L287 HydrophobicContact SD-CD1 4.09Å; S285-L287 VanDerWaalsContact C-N 3.35Å; L287-P289 CarbonylContact O-C 3.48Å; L287-F307 HydrophobicContact CB-CE2 4.19Å; L287-F307 HydrophobicContact CD1-CE2 4.07Å |
| 288 | F | 91.6 | Very high | 88.6 | Confident | 50 Ų | 50 | 52.4 Ų | 52.4 | 22% | 0.219 | 28% | 0.283 | C | S | . | . | trans | -86.3 | 144.8 | -179.3 | -57.2 | -32.8 | 0 | 0 | 0 | 112.1 | N184 Q271 M284 K286 I290 F307 | N184-F288 PolarHBondContact ND2-O 3.22Å; N184-F288 VanDerWaalsContact ND2-O 3.12Å; Q271-F288 HydrophobicContact CB-CD2 4.36Å; Q271-F288 HydrophobicContact CB-CE1 4.31Å; Q271-F288 HydrophobicContact CB-CE2 4.11Å; Q271-F288 HydrophobicContact CB-CZ 4.08Å; Q271-F288 HydrophobicContact CG-CD1 4.2Å; Q271-F288 HydrophobicContact CG-CE1 4.22Å; Q271-F288 HydrophobicContact CG-CG 4.46Å; Q271-F288 HydrophobicContact CG-CZ 4.5Å; M284-F288 HydrophobicContact CE-CE1 4.05Å; M284-F288 HydrophobicContact CE-CZ 3.71Å; K286-F288 VanDerWaalsContact C-N 3.3Å; F288-I290 HydrophobicContact CD1-CD1 4.39Å; F288-I290 HydrophobicContact CD1-CG1 3.74Å; F288-I290 HydrophobicContact CE1-CD1 4.11Å; F288-I290 HydrophobicContact CE1-CG1 3.91Å; F288-F307 HydrophobicContact CE1-CE2 4.49Å; F288-F307 HydrophobicContact CE1-CZ 4.09Å | ||
| 289 | P | 91.4 | Very high | 88.6 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -71 | 146.2 | -1.7 | 30.5 | -35.2 | 0 | 0 | 0 | 113.1 | K180 L287 | K180-P289 VanDerWaalsContact CE-O 3.29Å; K180-P289 WeakPolarHBondContact CE-O 3.41Å; L287-P289 CarbonylContact O-C 3.48Å |
| 290 | I | 92.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -63.9 | -45.7 | 179.8 | -58.8 | 170.4 | 0 | 0 | 0 | 110.4 | K180 Q271 M274 F288 N303 M304 F307 | K180-I290 WeakPolarHBondContact CE-O 3.37Å; K180-I290 PolarHBondContact NZ-O 2.85Å; Q271-I290 HydrophobicContact CG-CD1 4.29Å; M274-I290 HydrophobicContact CE-CD1 3.72Å; M274-I290 HydrophobicContact SD-CD1 3.71Å; F288-I290 HydrophobicContact CD1-CD1 4.39Å; F288-I290 HydrophobicContact CD1-CG1 3.74Å; F288-I290 HydrophobicContact CE1-CD1 4.11Å; F288-I290 HydrophobicContact CE1-CG1 3.91Å; I290-N303 PolarHBondContact O-OD1 3.11Å; I290-M304 HydrophobicContact CG2-SD 4.02Å; I290-F307 HydrophobicContact CD1-CD1 3.95Å; I290-F307 HydrophobicContact CD1-CE1 3.59Å; I290-F307 HydrophobicContact CD1-CZ 3.9Å; I290-F307 HydrophobicContact CG1-CD1 4.31Å; I290-F307 HydrophobicContact CG1-CD2 4.36Å; I290-F307 HydrophobicContact CG1-CE1 4.12Å; I290-F307 HydrophobicContact CG1-CE2 4.18Å; I290-F307 HydrophobicContact CG1-CG 4.42Å; I290-F307 HydrophobicContact CG1-CZ 4.05Å; I290-F307 HydrophobicContact CG2-CB 3.81Å; I290-F307 HydrophobicContact CG2-CD1 3.99Å; I290-F307 HydrophobicContact CG2-CD2 4.2Å; I290-F307 HydrophobicContact CG2-CG 3.74Å |
| 291 | I | 91.5 | Very high | 88.8 | Confident | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -87.5 | 120.9 | 174.2 | -52.8 | -63.6 | 0 | 0 | 0 | 108.2 | C267 S300 N303 M304 W356 | C267-I291 HydrophobicContact CB-CG1 4.43Å; I291-S300 WeakPolarHBondContact CD1-O 3.37Å; I291-S300 WeakPolarHBondContact CG2-OG 3.43Å; I291-N303 HydrophobicContact CD1-CB 4.1Å; I291-M304 HydrophobicContact CD1-CB 4.24Å; I291-W356 HydrophobicContact CD1-CH2 4.28Å |
| 292 | E | 88.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.084 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 148.6 | 173.9 | -80.7 | 153.9 | -131.1 | 0 | 0 | 111.6 | R179 K180 R249 M295 N303 | R179-E292 IonicContact NH1-OE1 3.89Å; K180-E292 IonicContact NZ-OE1 3.32Å; K180-E292 PolarHBondContact NZ-OE1 3.25Å; R249-E292 IonicContact CZ-OE1 3.38Å; R249-E292 IonicContact CZ-OE2 3.43Å; R249-E292 IonicContact NH1-OE1 3.47Å; R249-E292 PolarHBondContact NH1-OE1 2.92Å; R249-E292 IonicContact NH1-OE2 2.89Å; R249-E292 PolarHBondContact NH1-OE2 2.99Å; R249-E292 IonicContact NH2-OE1 3.5Å; R249-E292 PolarHBondContact NH2-OE1 3.01Å; R249-E292 IonicContact NH2-OE2 2.71Å; R249-E292 PolarHBondContact NH2-OE2 3.45Å; E292-M295 HydrophobicContact CB-CG 3.54Å; E292-M295 HydrophobicContact CB-SD 4.07Å; E292-M295 WeakPolarHBondContact O-CG 3.38Å; E292-N303 WeakPolarHBondContact CB-OD1 3.29Å; E292-N303 PolarHBondContact N-OD1 2.8Å; E292-N303 PolarHBondContact OE1-OD1 2.62Å |
| 293 | Q | 80.3 | Confident | 89.4 | Confident | 169 Ų | 169 | 30.7 Ų | 30.7 | 79% | 0.79 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 138.9 | 179.7 | -68.3 | -172 | -4.6 | 0 | 0 | 111.4 | M295 | Q293-M295 VanDerWaalsContact C-N 3.29Å; Q293-M295 PolarHBondContact O-N 3.12Å |
| 294 | G | 74.5 | Confident | 89.5 | Confident | 53 Ų | 53 | 27.6 Ų | 27.6 | 55% | 0.546 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 8.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 295 | M | 80.1 | Confident | 89.7 | Confident | 37 Ų | 37 | 27.3 Ų | 27.3 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | trans | -70.7 | 148.7 | 175.6 | -63.5 | -59.4 | -62.7 | 0 | 0 | 111.6 | Y191 E292 Q293 G299 | Y191-M295 HydrophobicContact CE2-CE 4.27Å; Y191-M295 HydrophobicContact CE2-SD 4.23Å; E292-M295 HydrophobicContact CB-CG 3.54Å; E292-M295 HydrophobicContact CB-SD 4.07Å; E292-M295 WeakPolarHBondContact O-CG 3.38Å; Q293-M295 VanDerWaalsContact C-N 3.29Å; Q293-M295 PolarHBondContact O-N 3.12Å; M295-G299 VanDerWaalsContact CE-CA 3.45Å | ||
| 296 | S | 84 | Confident | 89.8 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | trans | -67.2 | 174.1 | 166.4 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | S298 G299 S300 | S296-S298 PolarHBondContact O-N 3.06Å; S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.79Å; S296-S300 WeakPolarHBondContact O-CB 3.47Å; S296-S300 PolarHBondContact O-N 3.26Å; S296-S300 PolarHBondContact O-OG 3.07Å | ||
| 297 | D | 86.9 | Confident | 89.9 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -51.8 | -45.9 | 172.1 | 72.6 | -35.1 | 0 | 0 | 0 | 112.1 | H253 E256 I257 L260 S300 F301 | H253-D297 IonicContact CE1-OD2 2.93Å; H253-D297 IonicContact ND1-OD2 2.89Å; E256-D297 WeakPolarHBondContact CA-OD2 3.39Å; I257-D297 HydrophobicContact CB-CB 4.17Å; I257-D297 HydrophobicContact CG1-CB 4.4Å; I257-D297 PolarHBondContact N-OD2 2.73Å; L260-D297 HydrophobicContact CD1-CB 4.35Å; L260-D297 HydrophobicContact CD2-CB 3.87Å; D297-S300 WeakPolarHBondContact O-CB 3.49Å; D297-S300 PolarHBondContact O-N 3.13Å; D297-F301 PolarHBondContact O-N 3.26Å |
| 298 | S | 89.2 | Confident | 90 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 180 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | H246 M251 H253 S296 S300 F301 D302 | H246-S298 WeakPolarHBondContact CE1-CB 3.33Å; H246-S298 PolarHBondContact CE1-OG 3.42Å; H246-S298 WeakPolarHBondContact NE2-CB 3.1Å; M251-S298 VanDerWaalsContact CE-O 3.29Å; M251-S298 WeakPolarHBondContact CE-O 3.24Å; H253-S298 PolarHBondContact ND1-OG 2.71Å; S296-S298 PolarHBondContact O-N 3.06Å; S298-S300 VanDerWaalsContact C-N 3.34Å; S298-F301 PolarHBondContact O-N 2.87Å; S298-D302 WeakPolarHBondContact O-CB 3.42Å; S298-D302 PolarHBondContact O-N 3.29Å |
| 299 | G | 90.4 | Very high | 90 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M295 S296 D302 N303 | M295-G299 VanDerWaalsContact CE-CA 3.45Å; S296-G299 PolarHBondContact O-N 3.36Å; S296-G299 PolarHBondContact OG-N 2.79Å; G299-D302 PolarHBondContact O-N 3.06Å; G299-N303 WeakPolarHBondContact O-CB 3.39Å; G299-N303 VanDerWaalsContact O-CG 3.29Å; G299-N303 PolarHBondContact O-N 2.84Å; G299-N303 PolarHBondContact O-ND2 2.87Å |
| 300 | S | 92.8 | Very high | 90 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.9 | -42.5 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | I291 S296 D297 S298 N303 M304 | I291-S300 WeakPolarHBondContact CD1-O 3.37Å; I291-S300 WeakPolarHBondContact CG2-OG 3.43Å; S296-S300 WeakPolarHBondContact O-CB 3.47Å; S296-S300 PolarHBondContact O-N 3.26Å; S296-S300 PolarHBondContact O-OG 3.07Å; D297-S300 WeakPolarHBondContact O-CB 3.49Å; D297-S300 PolarHBondContact O-N 3.13Å; S298-S300 VanDerWaalsContact C-N 3.34Å; S300-N303 PolarHBondContact O-N 3.18Å; S300-M304 PolarHBondContact O-N 2.78Å; S300-M304 VanDerWaalsContact O-N 3.12Å |
| 301 | F | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 174.2 | -171.2 | -76.7 | 0 | 0 | 0 | 111.2 | M251 I257 D297 S298 N303 M304 M305 M323 I324 W356 I362 | M251-F301 HydrophobicContact SD-CD1 4.22Å; I257-F301 HydrophobicContact CD1-CD2 4.33Å; D297-F301 PolarHBondContact O-N 3.26Å; S298-F301 PolarHBondContact O-N 2.87Å; F301-N303 VanDerWaalsContact C-N 3.3Å; F301-N303 PolarHBondContact O-N 3.08Å; F301-M304 PolarHBondContact O-N 3.38Å; F301-M305 HydrophobicContact CD1-CB 4.38Å; F301-M305 HydrophobicContact CE1-CB 4.21Å; F301-M305 HydrophobicContact CE1-SD 3.95Å; F301-M305 WeakPolarHBondContact O-CB 3.44Å; F301-M305 PolarHBondContact O-N 2.9Å; F301-M323 HydrophobicContact CD1-CE 4.16Å; F301-M323 HydrophobicContact CD2-CE 3.63Å; F301-M323 HydrophobicContact CE1-CE 4.09Å; F301-M323 HydrophobicContact CE1-SD 4.19Å; F301-M323 HydrophobicContact CE2-CB 3.88Å; F301-M323 HydrophobicContact CE2-CE 3.57Å; F301-M323 HydrophobicContact CE2-SD 4.34Å; F301-M323 HydrophobicContact CG-CE 3.93Å; F301-M323 HydrophobicContact CZ-CB 3.73Å; F301-M323 HydrophobicContact CZ-CE 3.79Å; F301-M323 HydrophobicContact CZ-CG 4.47Å; F301-M323 HydrophobicContact CZ-SD 3.99Å; F301-I324 HydrophobicContact CE2-CD1 3.92Å; F301-I324 HydrophobicContact CE2-CG1 3.88Å; F301-I324 HydrophobicContact CZ-CD1 3.75Å; F301-I324 HydrophobicContact CZ-CG1 3.88Å; F301-W356 HydrophobicContact CB-CE3 4.07Å; F301-W356 HydrophobicContact CB-CZ3 4.11Å; F301-W356 HydrophobicContact CD2-CB 3.96Å; F301-W356 AromaticContact CD2-CD2 3.99Å; F301-W356 HydrophobicContact CD2-CD2 3.99Å; F301-W356 AromaticContact CD2-CE3 3.69Å; F301-W356 HydrophobicContact CD2-CE3 3.69Å; F301-W356 HydrophobicContact CD2-CG 4.13Å; F301-W356 HydrophobicContact CE2-CB 3.88Å; F301-W356 HydrophobicContact CE2-CG 4.27Å; F301-W356 HydrophobicContact CG-CE3 4.32Å; F301-I362 HydrophobicContact CD1-CD1 3.64Å; F301-I362 HydrophobicContact CD2-CD1 4.17Å; F301-I362 HydrophobicContact CE1-CD1 3.31Å; F301-I362 HydrophobicContact CE2-CD1 3.86Å; F301-I362 HydrophobicContact CG-CD1 4.08Å; F301-I362 HydrophobicContact CZ-CD1 3.44Å; F301-I362 VanDerWaalsContact CZ-CD1 3.44Å |
| 302 | D | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 178.1 | -174.9 | 70.5 | 0 | 0 | 0 | 111.8 | Q248 R249 M250 M251 S298 G299 M304 M305 E306 | Q248-D302 HydrophobicContact CB-CB 3.93Å; Q248-D302 HydrophobicContact CG-CB 4.39Å; R249-D302 WeakPolarHBondContact CB-OD2 3.15Å; R249-D302 PolarHBondContact N-OD2 3.02Å; M250-D302 WeakPolarHBondContact CA-OD1 3.38Å; M250-D302 WeakPolarHBondContact CB-OD1 3.36Å; M250-D302 PolarHBondContact N-OD1 3.32Å; M251-D302 HydrophobicContact CE-CB 4.12Å; M251-D302 HydrophobicContact CG-CB 3.93Å; M251-D302 WeakPolarHBondContact CG-OD1 2.86Å; M251-D302 PolarHBondContact N-OD1 2.99Å; M251-D302 HydrophobicContact SD-CB 4.44Å; S298-D302 WeakPolarHBondContact O-CB 3.42Å; S298-D302 PolarHBondContact O-N 3.29Å; G299-D302 PolarHBondContact O-N 3.06Å; D302-M304 PolarHBondContact O-N 3.3Å; D302-M305 PolarHBondContact O-N 3.36Å; D302-E306 WeakPolarHBondContact O-CB 3.48Å; D302-E306 PolarHBondContact O-N 3.31Å |
| 303 | N | 94.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.011 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 177.5 | -83.7 | -147.4 | 0 | 0 | 0 | 112 | K180 R249 I290 I291 E292 G299 S300 F301 F307 | K180-N303 PolarHBondContact NZ-OD1 3.06Å; K180-N303 VanDerWaalsContact NZ-OD1 3.14Å; R249-N303 PolarHBondContact NH1-ND2 2.74Å; I290-N303 PolarHBondContact O-OD1 3.11Å; I291-N303 HydrophobicContact CD1-CB 4.1Å; E292-N303 WeakPolarHBondContact CB-OD1 3.29Å; E292-N303 PolarHBondContact N-OD1 2.8Å; E292-N303 PolarHBondContact OE1-OD1 2.62Å; G299-N303 WeakPolarHBondContact O-CB 3.39Å; G299-N303 VanDerWaalsContact O-CG 3.29Å; G299-N303 PolarHBondContact O-N 2.84Å; G299-N303 PolarHBondContact O-ND2 2.87Å; S300-N303 PolarHBondContact O-N 3.18Å; F301-N303 VanDerWaalsContact C-N 3.3Å; F301-N303 PolarHBondContact O-N 3.08Å; N303-F307 VanDerWaalsContact O-CB 3.24Å; N303-F307 WeakPolarHBondContact O-CB 3.4Å; N303-F307 PolarHBondContact O-N 3.1Å |
| 304 | M | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -70.1 | -43.2 | 179.6 | -172.9 | 64.9 | -148.7 | 0 | 0 | 111.7 | C267 I290 I291 S300 F301 D302 F307 L308 M323 F353 W356 I568 | C267-M304 PolarHBondContact SG-SD 2.85Å; I290-M304 HydrophobicContact CG2-SD 4.02Å; I291-M304 HydrophobicContact CD1-CB 4.24Å; S300-M304 PolarHBondContact O-N 2.78Å; S300-M304 VanDerWaalsContact O-N 3.12Å; F301-M304 PolarHBondContact O-N 3.38Å; D302-M304 PolarHBondContact O-N 3.3Å; M304-F307 HydrophobicContact CE-CD1 4.39Å; M304-F307 PolarHBondContact O-N 2.89Å; M304-L308 HydrophobicContact CE-CD1 4.1Å; M304-L308 HydrophobicContact CE-CD2 3.65Å; M304-L308 HydrophobicContact CE-CG 3.68Å; M304-L308 WeakPolarHBondContact O-CG 2.91Å; M304-L308 PolarHBondContact O-N 3.33Å; M304-M323 HydrophobicContact CB-CE 3.8Å; M304-M323 HydrophobicContact CB-SD 4.48Å; M304-M323 HydrophobicContact CG-CE 3.85Å; M304-M323 HydrophobicContact CG-SD 4.3Å; M304-F353 HydrophobicContact CE-CE2 3.52Å; M304-F353 HydrophobicContact CE-CZ 3.89Å; M304-F353 HydrophobicContact CG-CE2 4.45Å; M304-F353 HydrophobicContact CG-CZ 3.84Å; M304-F353 HydrophobicContact SD-CE2 4.45Å; M304-F353 HydrophobicContact SD-CZ 4.37Å; M304-W356 HydrophobicContact CB-CZ2 4.24Å; M304-W356 HydrophobicContact CG-CZ2 4.34Å; M304-I568 HydrophobicContact CE-CD1 3.71Å |
| 305 | M | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63 | -46.7 | 178.6 | -173.7 | -175.7 | 64.9 | 0 | 0 | 111.4 | M250 M251 F301 D302 F307 L308 C309 L316 V320 M323 | M250-M305 HydrophobicContact CB-CE 3.38Å; M250-M305 HydrophobicContact CG-CE 4.36Å; M250-M305 HydrophobicContact SD-CE 4.49Å; M251-M305 HydrophobicContact CB-CE 3.94Å; M251-M305 HydrophobicContact CG-CE 3.87Å; F301-M305 HydrophobicContact CD1-CB 4.38Å; F301-M305 HydrophobicContact CE1-CB 4.21Å; F301-M305 HydrophobicContact CE1-SD 3.95Å; F301-M305 WeakPolarHBondContact O-CB 3.44Å; F301-M305 PolarHBondContact O-N 2.9Å; D302-M305 PolarHBondContact O-N 3.36Å; M305-F307 VanDerWaalsContact C-N 3.29Å; M305-F307 PolarHBondContact O-N 3.17Å; M305-L308 PolarHBondContact O-N 3.09Å; M305-C309 PolarHBondContact O-N 3.44Å; M305-C309 VanDerWaalsContact O-N 3.13Å; M305-C309 PolarHBondContact O-SG 2.97Å; M305-L316 HydrophobicContact CE-CD1 4.2Å; M305-L316 HydrophobicContact CG-CD1 4.15Å; M305-L316 HydrophobicContact SD-CD1 3.84Å; M305-V320 HydrophobicContact CG-CG2 4.42Å; M305-V320 HydrophobicContact SD-CG2 3.58Å; M305-V320 VanDerWaalsContact SD-CG2 3.58Å; M305-M323 HydrophobicContact CB-SD 3.77Å; M305-M323 HydrophobicContact CG-SD 4.34Å |
| 306 | E | 94.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 9.1 Ų | 9.1 | 4% | 0.042 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 175.9 | -166.6 | -169.9 | -176 | 0 | 0 | 110.8 | F176 R179 M250 D302 C309 Q310 | F176-E306 HydrophobicContact CD2-CG 4.02Å; F176-E306 WeakPolarHBondContact CD2-OE1 3.32Å; F176-E306 HydrophobicContact CE2-CB 4.35Å; F176-E306 HydrophobicContact CE2-CG 3.61Å; R179-E306 IonicContact CZ-OE1 3.82Å; R179-E306 IonicContact CZ-OE2 2.82Å; R179-E306 IonicContact NE-OE1 2.79Å; R179-E306 PolarHBondContact NE-OE1 3.28Å; R179-E306 IonicContact NE-OE2 3.45Å; R179-E306 PolarHBondContact NE-OE2 2.97Å; R179-E306 IonicContact NH1-OE2 3.02Å; R179-E306 IonicContact NH2-OE1 2.86Å; R179-E306 PolarHBondContact NH2-OE1 2.91Å; R179-E306 IonicContact NH2-OE2 3.43Å; R179-E306 PolarHBondContact NH2-OE2 3.13Å; M250-E306 HydrophobicContact CG-CB 4.07Å; M250-E306 HydrophobicContact CG-CG 3.96Å; M250-E306 HydrophobicContact SD-CB 3.74Å; M250-E306 HydrophobicContact SD-CG 3.66Å; D302-E306 WeakPolarHBondContact O-CB 3.48Å; D302-E306 PolarHBondContact O-N 3.31Å; E306-C309 PolarHBondContact O-N 3.45Å; E306-Q310 HydrophobicContact CG-CG 4.17Å; E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.25Å; E306-Q310 WeakPolarHBondContact O-CG 3.22Å; E306-Q310 PolarHBondContact O-N 3.19Å |
| 307 | F | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.1 | -176.1 | -98.9 | 0 | 0 | 0 | 112.8 | F176 M274 M284 L287 F288 I290 N303 M304 M305 C309 Q310 A311 L569 | F176-F307 HydrophobicContact CE1-CD2 4.31Å; F176-F307 HydrophobicContact CZ-CB 4.42Å; F176-F307 HydrophobicContact CZ-CD2 4.12Å; M274-F307 HydrophobicContact SD-CE1 3.59Å; M274-F307 VanDerWaalsContact SD-CE1 3.59Å; M274-F307 HydrophobicContact SD-CZ 4.08Å; M284-F307 HydrophobicContact CE-CZ 3.91Å; L287-F307 HydrophobicContact CB-CE2 4.19Å; L287-F307 HydrophobicContact CD1-CE2 4.07Å; F288-F307 HydrophobicContact CE1-CE2 4.49Å; F288-F307 HydrophobicContact CE1-CZ 4.09Å; I290-F307 HydrophobicContact CD1-CD1 3.95Å; I290-F307 HydrophobicContact CD1-CE1 3.59Å; I290-F307 HydrophobicContact CD1-CZ 3.9Å; I290-F307 HydrophobicContact CG1-CD1 4.31Å; I290-F307 HydrophobicContact CG1-CD2 4.36Å; I290-F307 HydrophobicContact CG1-CE1 4.12Å; I290-F307 HydrophobicContact CG1-CE2 4.18Å; I290-F307 HydrophobicContact CG1-CG 4.42Å; I290-F307 HydrophobicContact CG1-CZ 4.05Å; I290-F307 HydrophobicContact CG2-CB 3.81Å; I290-F307 HydrophobicContact CG2-CD1 3.99Å; I290-F307 HydrophobicContact CG2-CD2 4.2Å; I290-F307 HydrophobicContact CG2-CG 3.74Å; N303-F307 VanDerWaalsContact O-CB 3.24Å; N303-F307 WeakPolarHBondContact O-CB 3.4Å; N303-F307 PolarHBondContact O-N 3.1Å; M304-F307 HydrophobicContact CE-CD1 4.39Å; M304-F307 PolarHBondContact O-N 2.89Å; M305-F307 VanDerWaalsContact C-N 3.29Å; M305-F307 PolarHBondContact O-N 3.17Å; F307-C309 VanDerWaalsContact C-N 3.33Å; F307-C309 PolarHBondContact O-N 3.02Å; F307-Q310 PolarHBondContact O-N 3.08Å; F307-A311 HydrophobicContact CD2-CB 4.17Å; F307-A311 HydrophobicContact CE2-CB 3.97Å; F307-A311 HydrophobicContact CZ-CB 4.17Å; F307-A311 VanDerWaalsContact O-CB 3.29Å; F307-A311 WeakPolarHBondContact O-CB 3.03Å; F307-A311 PolarHBondContact O-N 3.43Å; F307-L569 HydrophobicContact CD1-CD2 4.21Å; F307-L569 HydrophobicContact CE1-CD1 4.22Å; F307-L569 HydrophobicContact CE1-CD2 3.78Å; F307-L569 HydrophobicContact CE1-CG 4.5Å; F307-L569 HydrophobicContact CZ-CD1 4.31Å |
| 308 | L | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.3 | -72.1 | 173.3 | 0 | 0 | 0 | 111.9 | M304 M305 G312 Y314 A319 M323 I568 L569 | M304-L308 HydrophobicContact CE-CD1 4.1Å; M304-L308 HydrophobicContact CE-CD2 3.65Å; M304-L308 HydrophobicContact CE-CG 3.68Å; M304-L308 WeakPolarHBondContact O-CG 2.91Å; M304-L308 PolarHBondContact O-N 3.33Å; M305-L308 PolarHBondContact O-N 3.09Å; L308-G312 CarbonylContact O-C 3.09Å; L308-G312 VanDerWaalsContact O-CA 3.24Å; L308-G312 WeakPolarHBondContact O-CA 3.32Å; L308-G312 PolarHBondContact O-N 3.42Å; L308-Y314 HydrophobicContact CB-CD2 4.47Å; L308-Y314 HydrophobicContact CD2-CD2 4.37Å; L308-Y314 HydrophobicContact CD2-CE2 4.41Å; L308-A319 HydrophobicContact CB-CB 4.08Å; L308-A319 HydrophobicContact CD1-CB 4.43Å; L308-M323 HydrophobicContact CD1-CG 4Å; L308-M323 HydrophobicContact CD1-SD 3.96Å; L308-I568 HydrophobicContact CD2-CD1 4.09Å; L308-L569 HydrophobicContact CD2-CD2 4.31Å |
| 309 | C | 92.3 | Very high | 92.9 | Very high | 22 Ų | 22 | 8.5 Ų | 8.5 | 15% | 0.149 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -72.8 | -36.8 | -179.3 | -65.8 | 0 | 0 | 0 | 0 | 113.6 | M305 E306 F307 | M305-C309 PolarHBondContact O-N 3.44Å; M305-C309 VanDerWaalsContact O-N 3.13Å; M305-C309 PolarHBondContact O-SG 2.97Å; E306-C309 PolarHBondContact O-N 3.45Å; F307-C309 VanDerWaalsContact C-N 3.33Å; F307-C309 PolarHBondContact O-N 3.02Å |
| 310 | Q | 91.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 8.5 Ų | 8.5 | 17% | 0.173 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -96.7 | -21.5 | -172.5 | -60.4 | -62.8 | -22.1 | 0 | 0 | 113.8 | F176 Y279 E306 F307 | F176-Q310 HydrophobicContact CB-CB 4.16Å; F176-Q310 HydrophobicContact CB-CG 4.29Å; F176-Q310 HydrophobicContact CD1-CB 3.74Å; F176-Q310 HydrophobicContact CD2-CB 3.77Å; F176-Q310 HydrophobicContact CD2-CG 3.68Å; F176-Q310 HydrophobicContact CE1-CB 3.99Å; F176-Q310 HydrophobicContact CE2-CB 4.01Å; F176-Q310 HydrophobicContact CE2-CG 4.08Å; F176-Q310 HydrophobicContact CG-CB 3.61Å; F176-Q310 HydrophobicContact CG-CG 3.92Å; F176-Q310 HydrophobicContact CZ-CB 4.12Å; Y279-Q310 WeakPolarHBondContact CE2-O 3.14Å; Y279-Q310 PolarHBondContact OH-O 3.43Å; E306-Q310 HydrophobicContact CG-CG 4.17Å; E306-Q310 WeakPolarHBondContact O-CB 3.46Å; E306-Q310 VanDerWaalsContact O-CG 3.25Å; E306-Q310 WeakPolarHBondContact O-CG 3.22Å; E306-Q310 PolarHBondContact O-N 3.19Å; F307-Q310 PolarHBondContact O-N 3.08Å |
| 311 | A | 92.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.008 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -113.8 | -14.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S276 Y279 F307 L569 | S276-A311 VanDerWaalsContact CB-O 3.25Å; S276-A311 WeakPolarHBondContact CB-O 3.21Å; S276-A311 PolarHBondContact OG-O 3.38Å; Y279-A311 HydrophobicContact CD2-CB 4.02Å; Y279-A311 HydrophobicContact CE2-CB 3.74Å; F307-A311 HydrophobicContact CD2-CB 4.17Å; F307-A311 HydrophobicContact CE2-CB 3.97Å; F307-A311 HydrophobicContact CZ-CB 4.17Å; F307-A311 VanDerWaalsContact O-CB 3.29Å; F307-A311 WeakPolarHBondContact O-CB 3.03Å; F307-A311 PolarHBondContact O-N 3.43Å; A311-L569 HydrophobicContact CB-CD1 4.41Å |
| 312 | G | 90.1 | Very high | 93 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -110 | 173.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L308 Y314 L569 | L308-G312 CarbonylContact O-C 3.09Å; L308-G312 VanDerWaalsContact O-CA 3.24Å; L308-G312 WeakPolarHBondContact O-CA 3.32Å; L308-G312 PolarHBondContact O-N 3.42Å; G312-Y314 PolarHBondContact O-N 3.44Å; G312-L569 WeakPolarHBondContact CA-O 3.39Å |
| 313 | D | 88.6 | Confident | 93 | Very high | 33 Ų | 33 | 8.6 Ų | 8.6 | 18% | 0.176 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -87.9 | 33.9 | 179 | -73.7 | -6.2 | 0 | 0 | 0 | 112.1 | R277 Y278 K443 L569 | R277-D313 WeakPolarHBondContact CD-OD2 3.24Å; R277-D313 IonicContact CZ-OD2 3.62Å; R277-D313 VanDerWaalsContact CZ-OD2 3.22Å; R277-D313 IonicContact NE-OD2 2.65Å; R277-D313 PolarHBondContact NE-OD2 3.47Å; R277-D313 IonicContact NH1-OD2 2.83Å; R277-D313 PolarHBondContact NH1-OD2 3.05Å; R277-D313 VanDerWaalsContact NH1-OD2 3.16Å; R277-D313 IonicContact NH2-OD2 3.67Å; Y278-D313 PolarHBondContact OH-OD1 2.8Å; D313-K443 PolarHBondContact O-NZ 3.44Å; D313-L569 PolarHBondContact N-O 3.44Å |
| 314 | Y | 91.7 | Very high | 92.9 | Very high | 11 Ų | 11 | 8.9 Ų | 8.9 | 4% | 0.043 | 5% | 0.051 | C | C | . | . | trans | -107 | 135.4 | -175.5 | -61 | -70.1 | 0 | 0 | 0 | 111.9 | L308 G312 E318 M322 W348 I568 P571 | L308-Y314 HydrophobicContact CB-CD2 4.47Å; L308-Y314 HydrophobicContact CD2-CD2 4.37Å; L308-Y314 HydrophobicContact CD2-CE2 4.41Å; G312-Y314 PolarHBondContact O-N 3.44Å; Y314-E318 HydrophobicContact CD1-CG 3.83Å; Y314-M322 HydrophobicContact CD1-SD 4.01Å; Y314-M322 HydrophobicContact CE1-SD 3.45Å; Y314-M322 WeakPolarHBondContact CE1-SD 3.27Å; Y314-M322 HydrophobicContact CE2-SD 4.42Å; Y314-W348 HydrophobicContact CE1-CH2 4.14Å; Y314-I568 WeakPolarHBondContact CE2-O 2.98Å; Y314-I568 PolarHBondContact OH-O 2.71Å; Y314-P571 HydrophobicContact CE1-CG 3.8Å | ||
| 315 | S | 91.5 | Very high | 92.8 | Very high | 47 Ų | 47 | 9.3 Ų | 9.3 | 33% | 0.329 | 5% | 0.054 | S | C | . | . | trans | -74.5 | 158.8 | 165 | 65.8 | 0 | 0 | 0 | 0 | 110.7 | E318 A319 | S315-E318 PolarHBondContact N-OE2 2.98Å; S315-E318 WeakPolarHBondContact O-CB 3.29Å; S315-E318 PolarHBondContact O-N 2.75Å; S315-E318 VanDerWaalsContact O-N 3.08Å; S315-E318 VanDerWaalsContact OG-CB 3.3Å; S315-E318 WeakPolarHBondContact OG-CB 3.39Å; S315-E318 PolarHBondContact OG-N 2.7Å; S315-A319 PolarHBondContact O-N 3.06Å | ||
| 316 | L | 93 | Very high | 92.7 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54.1 | -45.5 | 177.2 | 178.6 | 61.4 | 0 | 0 | 0 | 113.2 | M250 M305 E318 A319 V320 F364 D366 | M250-L316 HydrophobicContact CE-CD1 3.78Å; M250-L316 HydrophobicContact CE-CD2 3.97Å; M250-L316 HydrophobicContact CE-CG 4.4Å; M305-L316 HydrophobicContact CE-CD1 4.2Å; M305-L316 HydrophobicContact CG-CD1 4.15Å; M305-L316 HydrophobicContact SD-CD1 3.84Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-E318 PolarHBondContact O-N 3.13Å; L316-A319 PolarHBondContact O-N 3.1Å; L316-V320 HydrophobicContact CD1-CG2 4.13Å; L316-V320 VanDerWaalsContact O-CG2 3.3Å; L316-V320 WeakPolarHBondContact O-CG2 3.17Å; L316-V320 PolarHBondContact O-N 3.44Å; L316-F364 HydrophobicContact CD1-CD2 4.48Å; L316-F364 HydrophobicContact CD2-CB 4.46Å; L316-F364 HydrophobicContact CD2-CD2 3.66Å; L316-F364 HydrophobicContact CD2-CE2 4.45Å; L316-F364 HydrophobicContact CD2-CG 4.46Å; L316-F364 HydrophobicContact CG-CD2 3.88Å; L316-F364 HydrophobicContact CG-CE2 4.41Å; L316-D366 HydrophobicContact CD2-CB 3.95Å |
| 317 | P | 93.1 | Very high | 92.5 | Very high | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.013 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 176.6 | -22.5 | 35.2 | 0 | 0 | 0 | 113 | V320 M321 I422 L436 I440 | P317-V320 PolarHBondContact O-N 2.82Å; P317-M321 WeakPolarHBondContact O-CB 3.42Å; P317-M321 WeakPolarHBondContact O-CG 3.26Å; P317-M321 PolarHBondContact O-N 2.89Å; P317-I422 HydrophobicContact CB-CD1 4.09Å; P317-I422 HydrophobicContact CG-CD1 3.42Å; P317-I422 VanDerWaalsContact CG-CD1 3.42Å; P317-L436 HydrophobicContact CB-CD2 4.15Å; P317-I440 HydrophobicContact CB-CD1 4.26Å |
| 318 | E | 93.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 179.9 | -170.1 | 176.4 | -174.5 | 0 | 0 | 111.5 | Y314 S315 L316 M321 M322 Y345 I440 K443 | Y314-E318 HydrophobicContact CD1-CG 3.83Å; S315-E318 PolarHBondContact N-OE2 2.98Å; S315-E318 WeakPolarHBondContact O-CB 3.29Å; S315-E318 PolarHBondContact O-N 2.75Å; S315-E318 VanDerWaalsContact O-N 3.08Å; S315-E318 VanDerWaalsContact OG-CB 3.3Å; S315-E318 WeakPolarHBondContact OG-CB 3.39Å; S315-E318 PolarHBondContact OG-N 2.7Å; L316-E318 VanDerWaalsContact C-N 3.31Å; L316-E318 PolarHBondContact O-N 3.13Å; E318-M321 PolarHBondContact O-N 2.75Å; E318-M322 PolarHBondContact O-N 2.89Å; E318-Y345 PolarHBondContact O-OH 3.34Å; E318-I440 HydrophobicContact CB-CD1 4.29Å; E318-I440 HydrophobicContact CB-CG2 4.34Å; E318-I440 HydrophobicContact CG-CG2 3.81Å; E318-K443 VanDerWaalsContact CD-NZ 3.33Å; E318-K443 IonicContact OE1-NZ 3.38Å; E318-K443 PolarHBondContact OE1-NZ 3.11Å; E318-K443 VanDerWaalsContact OE1-NZ 3.08Å; E318-K443 IonicContact OE2-NZ 3.44Å; E318-K443 PolarHBondContact OE2-NZ 2.77Å |
| 319 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L308 S315 L316 M322 M323 | L308-A319 HydrophobicContact CB-CB 4.08Å; L308-A319 HydrophobicContact CD1-CB 4.43Å; S315-A319 PolarHBondContact O-N 3.06Å; L316-A319 PolarHBondContact O-N 3.1Å; A319-M322 PolarHBondContact O-N 2.78Å; A319-M323 WeakPolarHBondContact O-CG 3.45Å; A319-M323 PolarHBondContact O-N 3.21Å |
| 320 | V | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62 | -43.8 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | M305 L316 P317 M322 M323 I324 F364 I373 L420 | M305-V320 HydrophobicContact CG-CG2 4.42Å; M305-V320 HydrophobicContact SD-CG2 3.58Å; M305-V320 VanDerWaalsContact SD-CG2 3.58Å; L316-V320 HydrophobicContact CD1-CG2 4.13Å; L316-V320 VanDerWaalsContact O-CG2 3.3Å; L316-V320 WeakPolarHBondContact O-CG2 3.17Å; L316-V320 PolarHBondContact O-N 3.44Å; P317-V320 PolarHBondContact O-N 2.82Å; V320-M322 VanDerWaalsContact C-N 3.29Å; V320-M322 PolarHBondContact O-N 2.81Å; V320-M323 PolarHBondContact O-N 3.3Å; V320-I324 PolarHBondContact O-N 2.8Å; V320-F364 HydrophobicContact CB-CE1 4.48Å; V320-F364 HydrophobicContact CG1-CD1 4.36Å; V320-F364 HydrophobicContact CG1-CE1 3.88Å; V320-F364 HydrophobicContact CG1-CZ 4.39Å; V320-F364 HydrophobicContact CG2-CD1 4Å; V320-F364 HydrophobicContact CG2-CD2 4.48Å; V320-F364 HydrophobicContact CG2-CE1 4.11Å; V320-F364 HydrophobicContact CG2-CG 4.2Å; V320-F364 HydrophobicContact CG2-CZ 4.4Å; V320-I373 HydrophobicContact CG1-CB 4.02Å; V320-I373 HydrophobicContact CG1-CD1 3.79Å; V320-I373 HydrophobicContact CG1-CG1 4.49Å; V320-I373 HydrophobicContact CG1-CG2 3.48Å; V320-I373 VanDerWaalsContact CG1-CG2 3.48Å; V320-L420 HydrophobicContact CG1-CD2 4.37Å |
| 321 | M | 93.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.015 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.8 | -31.2 | 176.3 | -75.8 | 171.6 | 57.9 | 0 | 0 | 113.5 | P317 E318 P325 Y345 F346 L420 K437 I440 | P317-M321 WeakPolarHBondContact O-CB 3.42Å; P317-M321 WeakPolarHBondContact O-CG 3.26Å; P317-M321 PolarHBondContact O-N 2.89Å; E318-M321 PolarHBondContact O-N 2.75Å; M321-P325 WeakPolarHBondContact O-CA 3.12Å; M321-Y345 HydrophobicContact CB-CE1 4.35Å; M321-Y345 HydrophobicContact CE-CD1 4.14Å; M321-Y345 HydrophobicContact CE-CE1 3.66Å; M321-F346 HydrophobicContact CE-CZ 4.42Å; M321-L420 HydrophobicContact CG-CD1 3.85Å; M321-L420 HydrophobicContact SD-CD1 3.96Å; M321-K437 HydrophobicContact CE-CB 4.13Å; M321-K437 HydrophobicContact CE-CD 4.37Å; M321-K437 HydrophobicContact CE-CG 3.67Å; M321-K437 HydrophobicContact SD-CG 3.79Å; M321-I440 HydrophobicContact CE-CB 4.48Å; M321-I440 HydrophobicContact CE-CD1 4.46Å; M321-I440 HydrophobicContact CE-CG2 4.2Å; M321-I440 HydrophobicContact SD-CD1 3.57Å; M321-I440 VanDerWaalsContact SD-CD1 3.57Å |
| 322 | M | 92.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 14.5 Ų | 14.5 | 2% | 0.02 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.4 | -43 | 174.5 | -91.7 | -177.1 | 52.5 | 0 | 0 | 112 | Y314 E318 A319 V320 A349 F353 | Y314-M322 HydrophobicContact CD1-SD 4.01Å; Y314-M322 HydrophobicContact CE1-SD 3.45Å; Y314-M322 WeakPolarHBondContact CE1-SD 3.27Å; Y314-M322 HydrophobicContact CE2-SD 4.42Å; E318-M322 PolarHBondContact O-N 2.89Å; A319-M322 PolarHBondContact O-N 2.78Å; V320-M322 VanDerWaalsContact C-N 3.29Å; V320-M322 PolarHBondContact O-N 2.81Å; M322-A349 HydrophobicContact CG-CB 4.01Å; M322-F353 HydrophobicContact CE-CB 3.9Å; M322-F353 HydrophobicContact CE-CD2 4.42Å; M322-F353 HydrophobicContact CE-CG 4.18Å |
| 323 | M | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -77 | -37.3 | -177.5 | -65.6 | -174.7 | 70.5 | 0 | 0 | 112.5 | F301 M304 M305 L308 A319 V320 P325 F353 W356 | F301-M323 HydrophobicContact CD1-CE 4.16Å; F301-M323 HydrophobicContact CD2-CE 3.63Å; F301-M323 HydrophobicContact CE1-CE 4.09Å; F301-M323 HydrophobicContact CE1-SD 4.19Å; F301-M323 HydrophobicContact CE2-CB 3.88Å; F301-M323 HydrophobicContact CE2-CE 3.57Å; F301-M323 HydrophobicContact CE2-SD 4.34Å; F301-M323 HydrophobicContact CG-CE 3.93Å; F301-M323 HydrophobicContact CZ-CB 3.73Å; F301-M323 HydrophobicContact CZ-CE 3.79Å; F301-M323 HydrophobicContact CZ-CG 4.47Å; F301-M323 HydrophobicContact CZ-SD 3.99Å; M304-M323 HydrophobicContact CB-CE 3.8Å; M304-M323 HydrophobicContact CB-SD 4.48Å; M304-M323 HydrophobicContact CG-CE 3.85Å; M304-M323 HydrophobicContact CG-SD 4.3Å; M305-M323 HydrophobicContact CB-SD 3.77Å; M305-M323 HydrophobicContact CG-SD 4.34Å; L308-M323 HydrophobicContact CD1-CG 4Å; L308-M323 HydrophobicContact CD1-SD 3.96Å; A319-M323 WeakPolarHBondContact O-CG 3.45Å; A319-M323 PolarHBondContact O-N 3.21Å; V320-M323 PolarHBondContact O-N 3.3Å; M323-P325 VanDerWaalsContact C-CD 3.46Å; M323-P325 WeakPolarHBondContact O-CD 3.48Å; M323-F353 HydrophobicContact CB-CE1 4.45Å; M323-F353 HydrophobicContact CG-CD1 4.37Å; M323-F353 HydrophobicContact CG-CE1 3.74Å; M323-F353 HydrophobicContact CG-CZ 4.34Å; M323-W356 HydrophobicContact CE-CD2 3.96Å; M323-W356 HydrophobicContact CE-CG 4.11Å; M323-W356 HydrophobicContact CE-CZ2 4.43Å; M323-W356 PolarHBondContact O-N 3.49Å |
| 324 | I | 93.8 | Very high | 90.1 | Very high | 7 Ų | 7 | 21.1 Ų | 21.1 | 4% | 0.036 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -121.9 | 76.6 | 177.8 | -55.9 | 179.5 | 0 | 0 | 0 | 109 | F301 V320 A360 I362 I373 | F301-I324 HydrophobicContact CE2-CD1 3.92Å; F301-I324 HydrophobicContact CE2-CG1 3.88Å; F301-I324 HydrophobicContact CZ-CD1 3.75Å; F301-I324 HydrophobicContact CZ-CG1 3.88Å; V320-I324 PolarHBondContact O-N 2.8Å; I324-A360 HydrophobicContact CD1-CB 4.44Å; I324-I362 HydrophobicContact CD1-CD1 3.51Å; I324-I362 HydrophobicContact CD1-CG1 3.94Å; I324-I373 HydrophobicContact CB-CD1 4.31Å; I324-I373 HydrophobicContact CD1-CG2 4.06Å; I324-I373 HydrophobicContact CG2-CD1 4.27Å |
| 325 | P | 93.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 26.8 Ų | 26.8 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | trans | -76.6 | 152.6 | 179.2 | 31 | -34.6 | 0 | 0 | 0 | 112.1 | M321 M323 F346 P355 | M321-P325 WeakPolarHBondContact O-CA 3.12Å; M323-P325 VanDerWaalsContact C-CD 3.46Å; M323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-F346 HydrophobicContact CB-CD1 3.74Å; P325-F346 HydrophobicContact CB-CE1 3.83Å; P325-P355 HydrophobicContact CG-CB 4.01Å; P325-P355 HydrophobicContact CG-CG 3.84Å | ||
| 326 | E | 91.4 | Very high | 88.3 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | trans | -58.8 | 160.8 | 169.7 | -72.5 | -175.8 | -133.6 | 0 | 0 | 112 | W328 M338 F346 G418 K437 | E326-W328 VanDerWaalsContact C-N 3.3Å; E326-W328 VanDerWaalsContact O-CD1 3.25Å; E326-W328 PolarHBondContact O-N 2.92Å; E326-M338 HydrophobicContact CB-CE 4.29Å; E326-M338 WeakPolarHBondContact OE2-CE 3.46Å; E326-F346 HydrophobicContact CB-CE2 3.9Å; E326-F346 HydrophobicContact CB-CZ 3.9Å; E326-F346 HydrophobicContact CG-CE2 4.23Å; E326-F346 HydrophobicContact CG-CZ 3.99Å; E326-G418 VanDerWaalsContact CG-O 3.3Å; E326-G418 WeakPolarHBondContact CG-O 3.42Å; E326-K437 WeakPolarHBondContact OE1-CD 3.35Å; E326-K437 VanDerWaalsContact OE1-CE 3.32Å; E326-K437 WeakPolarHBondContact OE1-CE 3.47Å; E326-K437 IonicContact OE1-NZ 3.86Å; E326-K437 PolarHBondContact OE1-NZ 2.68Å | ||
| 327 | A | 90.9 | Very high | 87.5 | Confident | 17 Ų | 17 | 31 Ų | 31 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -71.1 | 83 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L331 V555 | A327-L331 WeakPolarHBondContact O-CD1 3.48Å; A327-L331 WeakPolarHBondContact O-CG 3.29Å; A327-V555 HydrophobicContact CB-CB 4.34Å; A327-V555 HydrophobicContact CB-CG1 3.97Å |
| 328 | W | 92 | Very high | 87.2 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | trans | -97 | -25.3 | -172.4 | 67.6 | -91 | 0 | 0 | 0 | 115.4 | E326 N330 L331 M338 W343 F346 K347 A350 W580 | E326-W328 VanDerWaalsContact C-N 3.3Å; E326-W328 VanDerWaalsContact O-CD1 3.25Å; E326-W328 PolarHBondContact O-N 2.92Å; W328-N330 PolarHBondContact O-N 2.9Å; W328-L331 PolarHBondContact O-N 3.27Å; W328-L331 VanDerWaalsContact O-N 3.15Å; W328-M338 HydrophobicContact CB-CE 4.13Å; W328-M338 HydrophobicContact CB-SD 3.97Å; W328-W343 AromaticContact CE3-CD1 3.97Å; W328-W343 HydrophobicContact CE3-CD2 4.29Å; W328-W343 AromaticContact CE3-CE2 3.87Å; W328-W343 HydrophobicContact CE3-CG 4.35Å; W328-W343 HydrophobicContact CE3-CZ2 4.42Å; W328-W343 AromaticContact CE3-NE1 3.66Å; W328-W343 HydrophobicContact CZ3-CD2 4.33Å; W328-W343 AromaticContact CZ3-CE2 3.79Å; W328-W343 AromaticContact CZ3-CZ2 3.89Å; W328-W343 HydrophobicContact CZ3-CZ2 3.89Å; W328-F346 HydrophobicContact CB-CB 4.12Å; W328-F346 HydrophobicContact CB-CD2 3.94Å; W328-F346 HydrophobicContact CB-CG 4.29Å; W328-F346 VanDerWaalsContact CD1-CB 3.46Å; W328-F346 AromaticContact CD1-CG 3.87Å; W328-F346 HydrophobicContact CD2-CB 3.73Å; W328-F346 HydrophobicContact CE3-CB 4.47Å; W328-F346 HydrophobicContact CG-CB 3.52Å; W328-F346 HydrophobicContact CG-CD2 4.22Å; W328-F346 HydrophobicContact CG-CG 4.06Å; W328-K347 HydrophobicContact CE3-CB 4.47Å; W328-K347 VanDerWaalsContact CH2-CA 3.45Å; W328-K347 HydrophobicContact CH2-CB 3.53Å; W328-K347 HydrophobicContact CH2-CD 4.37Å; W328-K347 HydrophobicContact CH2-CG 3.76Å; W328-K347 HydrophobicContact CZ2-CB 4.31Å; W328-K347 HydrophobicContact CZ3-CB 3.62Å; W328-K347 HydrophobicContact CZ3-CD 4.35Å; W328-K347 HydrophobicContact CZ3-CG 4.09Å; W328-A350 HydrophobicContact CZ2-CB 3.76Å; W328-W580 AromaticContact CH2-CH2 3.79Å; W328-W580 HydrophobicContact CH2-CH2 3.79Å; W328-W580 HydrophobicContact CH2-CZ3 4.23Å; W328-W580 HydrophobicContact CZ2-CH2 4.06Å | ||
| 329 | H | 89.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.111 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -40 | -168.7 | -63.3 | 81 | 0 | 0 | 0 | 114.2 | T557 | H329-T557 HydrophobicContact CB-CG2 4.17Š|
| 330 | N | 86.4 | Confident | 87 | Confident | 70 Ų | 70 | 39 Ų | 39 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.7 | -177 | -58.2 | -44.6 | 0 | 0 | 0 | 112.7 | W328 R553 I554 M556 | W328-N330 PolarHBondContact O-N 2.9Å; N330-R553 PolarHBondContact ND2-O 3.17Å; N330-I554 PolarHBondContact ND2-O 3.03Å; N330-M556 PolarHBondContact ND2-O 3.09Å |
| 331 | L | 84.3 | Confident | 87 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | trans | -88.2 | 129.3 | 176.3 | -60.9 | 179.6 | 0 | 0 | 0 | 109.3 | A327 W328 P333 E337 M338 W343 I554 | A327-L331 WeakPolarHBondContact O-CD1 3.48Å; A327-L331 WeakPolarHBondContact O-CG 3.29Å; W328-L331 PolarHBondContact O-N 3.27Å; W328-L331 VanDerWaalsContact O-N 3.15Å; L331-P333 VanDerWaalsContact O-CD 3.3Å; L331-P333 WeakPolarHBondContact O-CD 3.35Å; L331-E337 WeakPolarHBondContact CA-OE2 3.42Å; L331-E337 HydrophobicContact CB-CB 4.25Å; L331-E337 HydrophobicContact CD2-CB 4.24Å; L331-M338 HydrophobicContact CB-CB 4.27Å; L331-M338 HydrophobicContact CD1-CB 4.25Å; L331-M338 HydrophobicContact CD1-CE 3.73Å; L331-W343 PolarHBondContact O-NE1 3.16Å; L331-I554 HydrophobicContact CD2-CD1 4.34Å | ||
| 332 | D | 78.9 | Confident | 87 | Confident | 50 Ų | 50 | 43.4 Ų | 43.4 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | trans | -95.2 | 109 | -178.2 | -171.7 | -14.7 | 0 | 0 | 0 | 110.3 | E334 K335 G336 E337 | D332-E334 PolarHBondContact O-N 3.28Å; D332-E334 WeakPolarHBondContact OD1-CB 3.42Å; D332-E334 PolarHBondContact OD1-N 3.23Å; D332-K335 HydrophobicContact CB-CB 4.1Å; D332-K335 HydrophobicContact CB-CD 3.91Å; D332-K335 HydrophobicContact CB-CG 4.04Å; D332-K335 PolarHBondContact O-N 3.12Å; D332-K335 VanDerWaalsContact O-N 3.15Å; D332-K335 WeakPolarHBondContact OD2-CD 3.28Å; D332-K335 WeakPolarHBondContact OD2-CE 3.47Å; D332-K335 WeakPolarHBondContact OD2-CG 3.24Å; D332-K335 IonicContact OD2-NZ 2.63Å; D332-K335 PolarHBondContact OD2-NZ 3.28Å; D332-G336 PolarHBondContact O-N 3.08Å; D332-E337 PolarHBondContact N-OE2 3.35Å; D332-E337 PolarHBondContact O-N 3.26Å | ||
| 333 | P | 81.4 | Confident | 87.1 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 16% | 0.156 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -66.2 | -20.8 | 178.8 | 26.9 | -33.2 | 0 | 0 | 0 | 112.8 | L331 K335 G336 M338 W343 | L331-P333 VanDerWaalsContact O-CD 3.3Å; L331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-K335 VanDerWaalsContact C-N 3.33Å; P333-G336 PolarHBondContact O-N 3.04Å; P333-M338 VanDerWaalsContact CA-O 3.31Å; P333-M338 WeakPolarHBondContact CA-O 3.26Å; P333-M338 WeakPolarHBondContact CB-O 3.45Å; P333-W343 HydrophobicContact CB-CB 4.45Å; P333-W343 HydrophobicContact CG-CB 4.44Å; P333-W343 HydrophobicContact CG-CD2 4.39Å; P333-W343 HydrophobicContact CG-CG 4.11Å |
| 334 | E | 79 | Confident | 87.1 | Confident | 149 Ų | 149 | 46.4 Ų | 46.4 | 70% | 0.696 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -77.1 | -23.4 | 176.4 | -54.9 | -156.3 | 165 | 0 | 0 | 112.2 | D332 G336 R340 | D332-E334 PolarHBondContact O-N 3.28Å; D332-E334 WeakPolarHBondContact OD1-CB 3.42Å; D332-E334 PolarHBondContact OD1-N 3.23Å; E334-G336 VanDerWaalsContact C-N 3.31Å; E334-R340 IonicContact OE1-CZ 3.58Å; E334-R340 IonicContact OE1-NH1 3.6Å; E334-R340 PolarHBondContact OE1-NH1 3.37Å; E334-R340 IonicContact OE1-NH2 3.74Å; E334-R340 PolarHBondContact OE1-NH2 3.44Å |
| 335 | K | 72.6 | Confident | 87.1 | Confident | 130 Ų | 130 | 46 Ų | 46 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -86 | -3.1 | 172.8 | -65.8 | 177.4 | -171.2 | 157.4 | 0 | 113.5 | D332 P333 E337 | D332-K335 HydrophobicContact CB-CB 4.1Å; D332-K335 HydrophobicContact CB-CD 3.91Å; D332-K335 HydrophobicContact CB-CG 4.04Å; D332-K335 PolarHBondContact O-N 3.12Å; D332-K335 VanDerWaalsContact O-N 3.15Å; D332-K335 WeakPolarHBondContact OD2-CD 3.28Å; D332-K335 WeakPolarHBondContact OD2-CE 3.47Å; D332-K335 WeakPolarHBondContact OD2-CG 3.24Å; D332-K335 IonicContact OD2-NZ 2.63Å; D332-K335 PolarHBondContact OD2-NZ 3.28Å; P333-K335 VanDerWaalsContact C-N 3.33Å; K335-E337 HydrophobicContact CB-CG 4.23Å |
| 336 | G | 72.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 45.7 Ų | 45.7 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 18.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D332 P333 E334 M338 | D332-G336 PolarHBondContact O-N 3.08Å; P333-G336 PolarHBondContact O-N 3.04Å; E334-G336 VanDerWaalsContact C-N 3.31Å; G336-M338 VanDerWaalsContact C-N 3.34Å |
| 337 | E | 77.5 | Confident | 87.3 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -75 | -26 | 179.9 | -64.5 | 175.9 | 168.6 | 0 | 0 | 112.6 | L331 D332 K335 | L331-E337 WeakPolarHBondContact CA-OE2 3.42Å; L331-E337 HydrophobicContact CB-CB 4.25Å; L331-E337 HydrophobicContact CD2-CB 4.24Å; D332-E337 PolarHBondContact N-OE2 3.35Å; D332-E337 PolarHBondContact O-N 3.26Å; K335-E337 HydrophobicContact CB-CG 4.23Å |
| 338 | M | 86.8 | Confident | 87.5 | Confident | 11 Ų | 11 | 46.8 Ų | 46.8 | 5% | 0.054 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -149.3 | 147.2 | 173.4 | -179.2 | 172.6 | -83.5 | 0 | 0 | 108.9 | E326 W328 L331 P333 G336 K342 W343 F346 | E326-M338 HydrophobicContact CB-CE 4.29Å; E326-M338 WeakPolarHBondContact OE2-CE 3.46Å; W328-M338 HydrophobicContact CB-CE 4.13Å; W328-M338 HydrophobicContact CB-SD 3.97Å; L331-M338 HydrophobicContact CB-CB 4.27Å; L331-M338 HydrophobicContact CD1-CB 4.25Å; L331-M338 HydrophobicContact CD1-CE 3.73Å; P333-M338 VanDerWaalsContact CA-O 3.31Å; P333-M338 WeakPolarHBondContact CA-O 3.26Å; P333-M338 WeakPolarHBondContact CB-O 3.45Å; G336-M338 VanDerWaalsContact C-N 3.34Å; M338-K342 HydrophobicContact CE-CD 4.21Å; M338-K342 HydrophobicContact CE-CG 4.3Å; M338-K342 HydrophobicContact CG-CB 4.16Å; M338-K342 HydrophobicContact CG-CD 4.32Å; M338-K342 HydrophobicContact CG-CG 4.12Å; M338-K342 HydrophobicContact SD-CB 4.4Å; M338-K342 HydrophobicContact SD-CD 4.38Å; M338-K342 HydrophobicContact SD-CG 3.91Å; M338-W343 HydrophobicContact CG-CB 4.48Å; M338-W343 HydrophobicContact SD-CB 4.21Å; M338-F346 HydrophobicContact CE-CD2 4.28Å; M338-F346 HydrophobicContact CE-CE2 4.06Å; M338-F346 HydrophobicContact SD-CD2 4.12Å; M338-F346 HydrophobicContact SD-CE2 4.39Å |
| 339 | S | 90.9 | Very high | 87.6 | Confident | 42 Ų | 42 | 46.9 Ų | 46.9 | 29% | 0.294 | 24% | 0.239 | S | C | . | . | trans | -64.6 | 145.3 | 173.8 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | E341 K342 W343 | S339-E341 VanDerWaalsContact C-N 3.27Å; S339-E341 WeakPolarHBondContact CB-OE2 3.47Å; S339-E341 PolarHBondContact O-N 3.33Å; S339-K342 PolarHBondContact O-N 2.78Å; S339-K342 VanDerWaalsContact OG-CB 3.24Å; S339-K342 WeakPolarHBondContact OG-CB 3.24Å; S339-W343 PolarHBondContact O-N 3.35Å | ||
| 340 | R | 92.4 | Very high | 87.8 | Confident | 118 Ų | 118 | 46.2 Ų | 46.2 | 45% | 0.445 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -38.8 | -177.7 | -169.1 | 77.8 | 125.2 | -171.9 | -8.8 | 111.1 | E334 W343 N344 | E334-R340 IonicContact OE1-CZ 3.58Å; E334-R340 IonicContact OE1-NH1 3.6Å; E334-R340 PolarHBondContact OE1-NH1 3.37Å; E334-R340 IonicContact OE1-NH2 3.74Å; E334-R340 PolarHBondContact OE1-NH2 3.44Å; R340-W343 PolarHBondContact O-N 2.97Å; R340-N344 WeakPolarHBondContact O-CB 3.49Å; R340-N344 PolarHBondContact O-N 2.98Å; R340-N344 PolarHBondContact O-ND2 3.43Å |
| 341 | E | 93.6 | Very high | 88.1 | Confident | 90 Ų | 90 | 43 Ų | 43 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -45.9 | 179.2 | -58.7 | 72.3 | -156.9 | 0 | 0 | 111 | S339 N344 Y345 A441 T442 | S339-E341 VanDerWaalsContact C-N 3.27Å; S339-E341 WeakPolarHBondContact CB-OE2 3.47Å; S339-E341 PolarHBondContact O-N 3.33Å; E341-N344 PolarHBondContact O-N 3.16Å; E341-Y345 PolarHBondContact O-N 2.99Å; E341-A441 HydrophobicContact CB-CB 4.33Å; E341-T442 HydrophobicContact CB-CG2 4.26Å; E341-T442 HydrophobicContact CG-CG2 4.09Å |
| 342 | K | 93.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -40.1 | 179.2 | 179.4 | 167.2 | 29.1 | 170.2 | 0 | 111.9 | M338 S339 N344 Y345 F346 E434 K437 A441 | M338-K342 HydrophobicContact CE-CD 4.21Å; M338-K342 HydrophobicContact CE-CG 4.3Å; M338-K342 HydrophobicContact CG-CB 4.16Å; M338-K342 HydrophobicContact CG-CD 4.32Å; M338-K342 HydrophobicContact CG-CG 4.12Å; M338-K342 HydrophobicContact SD-CB 4.4Å; M338-K342 HydrophobicContact SD-CD 4.38Å; M338-K342 HydrophobicContact SD-CG 3.91Å; S339-K342 PolarHBondContact O-N 2.78Å; S339-K342 VanDerWaalsContact OG-CB 3.24Å; S339-K342 WeakPolarHBondContact OG-CB 3.24Å; K342-N344 VanDerWaalsContact C-N 3.33Å; K342-N344 PolarHBondContact O-N 3.38Å; K342-Y345 PolarHBondContact O-N 3.31Å; K342-F346 HydrophobicContact CD-CE2 3.95Å; K342-F346 HydrophobicContact CG-CD2 3.85Å; K342-F346 HydrophobicContact CG-CE2 3.5Å; K342-F346 HydrophobicContact CG-CZ 4.48Å; K342-F346 VanDerWaalsContact O-CD2 3.27Å; K342-F346 WeakPolarHBondContact O-CD2 3.17Å; K342-F346 PolarHBondContact O-N 3.41Å; K342-E434 IonicContact NZ-OE1 2.81Å; K342-E434 PolarHBondContact NZ-OE1 3.48Å; K342-E434 IonicContact NZ-OE2 3.73Å; K342-E434 PolarHBondContact NZ-OE2 3.01Å; K342-K437 HydrophobicContact CD-CB 4.32Å; K342-K437 HydrophobicContact CD-CD 4.37Å; K342-A441 HydrophobicContact CB-CB 4.44Å |
| 343 | W | 94.2 | Very high | 88.8 | Confident | 47 Ų | 47 | 40.5 Ų | 40.5 | 18% | 0.178 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -44.2 | 173.2 | -170.3 | 98.8 | 0 | 0 | 0 | 111.2 | W328 L331 P333 M338 S339 R340 F346 K347 | W328-W343 AromaticContact CE3-CD1 3.97Å; W328-W343 HydrophobicContact CE3-CD2 4.29Å; W328-W343 AromaticContact CE3-CE2 3.87Å; W328-W343 HydrophobicContact CE3-CG 4.35Å; W328-W343 HydrophobicContact CE3-CZ2 4.42Å; W328-W343 AromaticContact CE3-NE1 3.66Å; W328-W343 HydrophobicContact CZ3-CD2 4.33Å; W328-W343 AromaticContact CZ3-CE2 3.79Å; W328-W343 AromaticContact CZ3-CZ2 3.89Å; W328-W343 HydrophobicContact CZ3-CZ2 3.89Å; L331-W343 PolarHBondContact O-NE1 3.16Å; P333-W343 HydrophobicContact CB-CB 4.45Å; P333-W343 HydrophobicContact CG-CB 4.44Å; P333-W343 HydrophobicContact CG-CD2 4.39Å; P333-W343 HydrophobicContact CG-CG 4.11Å; M338-W343 HydrophobicContact CG-CB 4.48Å; M338-W343 HydrophobicContact SD-CB 4.21Å; S339-W343 PolarHBondContact O-N 3.35Å; R340-W343 PolarHBondContact O-N 2.97Å; W343-F346 PolarHBondContact O-N 2.9Å; W343-K347 HydrophobicContact CE3-CB 4.34Å; W343-K347 HydrophobicContact CE3-CD 4.29Å; W343-K347 HydrophobicContact CH2-CD 3.32Å; W343-K347 HydrophobicContact CZ2-CD 4.19Å; W343-K347 HydrophobicContact CZ3-CB 4.22Å; W343-K347 HydrophobicContact CZ3-CD 3.37Å; W343-K347 HydrophobicContact CZ3-CG 4.41Å; W343-K347 WeakPolarHBondContact O-CB 3.45Å; W343-K347 PolarHBondContact O-N 3.08Å |
| 344 | N | 94.3 | Very high | 89.3 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.8 | -71.6 | -24.5 | 0 | 0 | 0 | 112 | R340 E341 K342 K347 W348 D447 L450 | R340-N344 WeakPolarHBondContact O-CB 3.49Å; R340-N344 PolarHBondContact O-N 2.98Å; R340-N344 PolarHBondContact O-ND2 3.43Å; E341-N344 PolarHBondContact O-N 3.16Å; K342-N344 VanDerWaalsContact C-N 3.33Å; K342-N344 PolarHBondContact O-N 3.38Å; N344-K347 PolarHBondContact O-N 2.74Å; N344-W348 WeakPolarHBondContact O-CB 3.27Å; N344-W348 PolarHBondContact O-N 2.78Å; N344-D447 VanDerWaalsContact ND2-CB 3.29Å; N344-D447 WeakPolarHBondContact ND2-CB 3.32Å; N344-L450 HydrophobicContact CB-CD1 3.93Å; N344-L450 VanDerWaalsContact O-CD1 3.24Å; N344-L450 WeakPolarHBondContact O-CD1 3.46Å |
| 345 | Y | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58 | -51.5 | 174.7 | 170.3 | -97.4 | 0 | 0 | 0 | 111.9 | E318 M321 E341 K342 K347 W348 A349 I440 A441 Y446 | E318-Y345 PolarHBondContact O-OH 3.34Å; M321-Y345 HydrophobicContact CB-CE1 4.35Å; M321-Y345 HydrophobicContact CE-CD1 4.14Å; M321-Y345 HydrophobicContact CE-CE1 3.66Å; E341-Y345 PolarHBondContact O-N 2.99Å; K342-Y345 PolarHBondContact O-N 3.31Å; Y345-K347 PolarHBondContact O-N 2.9Å; Y345-W348 HydrophobicContact CD2-CE3 4.06Å; Y345-W348 HydrophobicContact CD2-CZ3 4.2Å; Y345-W348 HydrophobicContact CE2-CE3 4.08Å; Y345-W348 AromaticContact CE2-CZ3 3.78Å; Y345-W348 HydrophobicContact CE2-CZ3 3.78Å; Y345-W348 WeakPolarHBondContact O-CB 3.42Å; Y345-W348 PolarHBondContact O-N 3.22Å; Y345-A349 WeakPolarHBondContact O-CB 3.3Å; Y345-A349 PolarHBondContact O-N 3.11Å; Y345-I440 HydrophobicContact CD2-CG2 4.28Å; Y345-I440 HydrophobicContact CE2-CG2 3.72Å; Y345-A441 HydrophobicContact CG-CB 4.41Å; Y345-Y446 HydrophobicContact CD2-CD2 4.3Å; Y345-Y446 HydrophobicContact CD2-CE1 4.37Å; Y345-Y446 AromaticContact CD2-CE2 3.65Å; Y345-Y446 HydrophobicContact CD2-CE2 3.65Å; Y345-Y446 AromaticContact CD2-CZ 3.67Å |
| 346 | F | 94.8 | Very high | 91 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | -178.5 | -73.3 | -55.5 | 0 | 0 | 0 | 112.5 | M321 P325 E326 W328 M338 K342 W343 A349 A350 | M321-F346 HydrophobicContact CE-CZ 4.42Å; P325-F346 HydrophobicContact CB-CD1 3.74Å; P325-F346 HydrophobicContact CB-CE1 3.83Å; E326-F346 HydrophobicContact CB-CE2 3.9Å; E326-F346 HydrophobicContact CB-CZ 3.9Å; E326-F346 HydrophobicContact CG-CE2 4.23Å; E326-F346 HydrophobicContact CG-CZ 3.99Å; W328-F346 HydrophobicContact CB-CB 4.12Å; W328-F346 HydrophobicContact CB-CD2 3.94Å; W328-F346 HydrophobicContact CB-CG 4.29Å; W328-F346 VanDerWaalsContact CD1-CB 3.46Å; W328-F346 AromaticContact CD1-CG 3.87Å; W328-F346 HydrophobicContact CD2-CB 3.73Å; W328-F346 HydrophobicContact CE3-CB 4.47Å; W328-F346 HydrophobicContact CG-CB 3.52Å; W328-F346 HydrophobicContact CG-CD2 4.22Å; W328-F346 HydrophobicContact CG-CG 4.06Å; M338-F346 HydrophobicContact CE-CD2 4.28Å; M338-F346 HydrophobicContact CE-CE2 4.06Å; M338-F346 HydrophobicContact SD-CD2 4.12Å; M338-F346 HydrophobicContact SD-CE2 4.39Å; K342-F346 HydrophobicContact CD-CE2 3.95Å; K342-F346 HydrophobicContact CG-CD2 3.85Å; K342-F346 HydrophobicContact CG-CE2 3.5Å; K342-F346 HydrophobicContact CG-CZ 4.48Å; K342-F346 VanDerWaalsContact O-CD2 3.27Å; K342-F346 WeakPolarHBondContact O-CD2 3.17Å; K342-F346 PolarHBondContact O-N 3.41Å; W343-F346 PolarHBondContact O-N 2.9Å; F346-A349 PolarHBondContact O-N 3.42Å; F346-A350 WeakPolarHBondContact O-CB 3.46Å; F346-A350 PolarHBondContact O-N 2.86Å |
| 347 | K | 93.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 24 Ų | 24 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 173.1 | -173.5 | 167.9 | -179.7 | 179.5 | 0 | 111.8 | W328 W343 N344 Y345 N351 L450 W580 | W328-K347 HydrophobicContact CE3-CB 4.47Å; W328-K347 VanDerWaalsContact CH2-CA 3.45Å; W328-K347 HydrophobicContact CH2-CB 3.53Å; W328-K347 HydrophobicContact CH2-CD 4.37Å; W328-K347 HydrophobicContact CH2-CG 3.76Å; W328-K347 HydrophobicContact CZ2-CB 4.31Å; W328-K347 HydrophobicContact CZ3-CB 3.62Å; W328-K347 HydrophobicContact CZ3-CD 4.35Å; W328-K347 HydrophobicContact CZ3-CG 4.09Å; W343-K347 HydrophobicContact CE3-CB 4.34Å; W343-K347 HydrophobicContact CE3-CD 4.29Å; W343-K347 HydrophobicContact CH2-CD 3.32Å; W343-K347 HydrophobicContact CZ2-CD 4.19Å; W343-K347 HydrophobicContact CZ3-CB 4.22Å; W343-K347 HydrophobicContact CZ3-CD 3.37Å; W343-K347 HydrophobicContact CZ3-CG 4.41Å; W343-K347 WeakPolarHBondContact O-CB 3.45Å; W343-K347 PolarHBondContact O-N 3.08Å; N344-K347 PolarHBondContact O-N 2.74Å; Y345-K347 PolarHBondContact O-N 2.9Å; K347-N351 PolarHBondContact O-N 3.24Å; K347-N351 PolarHBondContact O-ND2 3.43Å; K347-L450 HydrophobicContact CB-CD1 3.93Å; K347-L450 HydrophobicContact CB-CD2 4.43Å; K347-L450 HydrophobicContact CD-CD1 4.32Å; K347-L450 HydrophobicContact CD-CD2 4.34Å; K347-L450 HydrophobicContact CG-CD1 4.15Å; K347-L450 HydrophobicContact CG-CD2 3.92Å; K347-W580 HydrophobicContact CG-CH2 4.3Å; K347-W580 HydrophobicContact CG-CZ2 3.86Å |
| 348 | W | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62 | -49.7 | 173.7 | 164.9 | 81.4 | 0 | 0 | 0 | 111.4 | Y314 N344 Y345 A350 N351 Y446 W449 L450 P571 Q575 | Y314-W348 HydrophobicContact CE1-CH2 4.14Å; N344-W348 WeakPolarHBondContact O-CB 3.27Å; N344-W348 PolarHBondContact O-N 2.78Å; Y345-W348 HydrophobicContact CD2-CE3 4.06Å; Y345-W348 HydrophobicContact CD2-CZ3 4.2Å; Y345-W348 HydrophobicContact CE2-CE3 4.08Å; Y345-W348 AromaticContact CE2-CZ3 3.78Å; Y345-W348 HydrophobicContact CE2-CZ3 3.78Å; Y345-W348 WeakPolarHBondContact O-CB 3.42Å; Y345-W348 PolarHBondContact O-N 3.22Å; W348-A350 VanDerWaalsContact C-N 3.29Å; W348-A350 PolarHBondContact O-N 3.04Å; W348-N351 WeakPolarHBondContact O-CB 3.3Å; W348-N351 PolarHBondContact O-N 2.91Å; W348-Y446 HydrophobicContact CB-CD1 3.84Å; W348-Y446 HydrophobicContact CB-CG 4.4Å; W348-Y446 AromaticContact CD1-CD1 3.98Å; W348-Y446 AromaticContact CD2-CD1 3.49Å; W348-Y446 HydrophobicContact CD2-CD1 3.49Å; W348-Y446 VanDerWaalsContact CD2-CD1 3.49Å; W348-Y446 AromaticContact CD2-CE1 3.34Å; W348-Y446 HydrophobicContact CD2-CE1 3.34Å; W348-Y446 AromaticContact CE2-CE1 3.72Å; W348-Y446 AromaticContact CE3-CD1 3.83Å; W348-Y446 HydrophobicContact CE3-CD1 3.83Å; W348-Y446 AromaticContact CE3-CE1 3.34Å; W348-Y446 HydrophobicContact CE3-CE1 3.34Å; W348-Y446 AromaticContact CG-CD1 3.47Å; W348-Y446 HydrophobicContact CG-CD1 3.47Å; W348-Y446 VanDerWaalsContact CG-CD1 3.47Å; W348-Y446 AromaticContact CG-CE1 3.89Å; W348-Y446 HydrophobicContact CG-CE1 3.89Å; W348-Y446 HydrophobicContact CG-CG 4.46Å; W348-Y446 HydrophobicContact CH2-CE1 4.05Å; W348-Y446 HydrophobicContact CZ2-CE1 4.07Å; W348-Y446 AromaticContact CZ3-CE1 3.71Å; W348-Y446 HydrophobicContact CZ3-CE1 3.71Å; W348-W449 AromaticContact NE1-CE3 3.87Å; W348-W449 AromaticContact NE1-CZ3 3.99Å; W348-L450 HydrophobicContact CB-CD1 4.49Å; W348-L450 HydrophobicContact CB-CD2 4.47Å; W348-L450 HydrophobicContact CB-CG 4.47Å; W348-P571 HydrophobicContact CH2-CB 3.9Å; W348-P571 HydrophobicContact CH2-CG 4.09Å; W348-P571 HydrophobicContact CZ2-CB 3.66Å; W348-P571 HydrophobicContact CZ2-CG 4.3Å; W348-Q575 VanDerWaalsContact NE1-OE1 3.13Å |
| 349 | A | 94 | Very high | 92.3 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 5% | 0.05 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.3 | -42.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | M322 Y345 F346 N351 S352 F353 | M322-A349 HydrophobicContact CG-CB 4.01Å; Y345-A349 WeakPolarHBondContact O-CB 3.3Å; Y345-A349 PolarHBondContact O-N 3.11Å; F346-A349 PolarHBondContact O-N 3.42Å; A349-N351 PolarHBondContact O-N 3.41Å; A349-N351 VanDerWaalsContact O-N 3.17Å; A349-S352 PolarHBondContact O-N 2.98Å; A349-F353 PolarHBondContact O-N 3.48Å |
| 350 | A | 93.4 | Very high | 92.3 | Very high | 9 Ų | 9 | 18 Ų | 18 | 7% | 0.074 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63 | -19.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W328 F346 W348 S352 P561 W580 H780 | W328-A350 HydrophobicContact CZ2-CB 3.76Å; F346-A350 WeakPolarHBondContact O-CB 3.46Å; F346-A350 PolarHBondContact O-N 2.86Å; W348-A350 VanDerWaalsContact C-N 3.29Å; W348-A350 PolarHBondContact O-N 3.04Å; A350-S352 VanDerWaalsContact C-N 3.25Å; A350-S352 PolarHBondContact O-N 3.33Å; A350-P561 WeakPolarHBondContact O-CG 3.32Å; A350-W580 HydrophobicContact CB-CH2 3.87Å; A350-W580 HydrophobicContact CB-CZ2 4.22Å; A350-H780 PolarHBondContact O-CE1 3.15Å |
| 351 | N | 92.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.3 | 171.5 | -69.6 | -72.3 | 0 | 0 | 0 | 113 | K347 W348 A349 Q575 R578 W580 | K347-N351 PolarHBondContact O-N 3.24Å; K347-N351 PolarHBondContact O-ND2 3.43Å; W348-N351 WeakPolarHBondContact O-CB 3.3Å; W348-N351 PolarHBondContact O-N 2.91Å; A349-N351 PolarHBondContact O-N 3.41Å; A349-N351 VanDerWaalsContact O-N 3.17Å; N351-Q575 VanDerWaalsContact CB-O 3.26Å; N351-Q575 WeakPolarHBondContact CB-O 3.21Å; N351-R578 HydrophobicContact CB-CG 4.07Å; N351-R578 PolarHBondContact O-NH1 2.86Å; N351-R578 WeakPolarHBondContact OD1-CB 3.46Å; N351-R578 WeakPolarHBondContact OD1-CG 3.3Å; N351-W580 PolarHBondContact OD1-NE1 2.9Å |
| 352 | S | 87.1 | Confident | 92.3 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.014 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -33.1 | -175.6 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | R270 A349 A350 Q565 Q575 | R270-S352 PolarHBondContact NH2-O 2.91Å; A349-S352 PolarHBondContact O-N 2.98Å; A350-S352 VanDerWaalsContact C-N 3.25Å; A350-S352 PolarHBondContact O-N 3.33Å; S352-Q565 PolarHBondContact O-OE1 2.9Å; S352-Q575 PolarHBondContact OG-NE2 3.41Å |
| 353 | F | 90.1 | Very high | 92.4 | Very high | 6 Ų | 6 | 7.8 Ų | 7.8 | 3% | 0.026 | 4% | 0.038 | C | C | . | . | trans | -142.1 | 131.2 | -167.7 | -146.9 | -96.6 | 0 | 0 | 0 | 111.7 | M304 M322 M323 A349 W356 I568 | M304-F353 HydrophobicContact CE-CE2 3.52Å; M304-F353 HydrophobicContact CE-CZ 3.89Å; M304-F353 HydrophobicContact CG-CE2 4.45Å; M304-F353 HydrophobicContact CG-CZ 3.84Å; M304-F353 HydrophobicContact SD-CE2 4.45Å; M304-F353 HydrophobicContact SD-CZ 4.37Å; M322-F353 HydrophobicContact CE-CB 3.9Å; M322-F353 HydrophobicContact CE-CD2 4.42Å; M322-F353 HydrophobicContact CE-CG 4.18Å; M323-F353 HydrophobicContact CB-CE1 4.45Å; M323-F353 HydrophobicContact CG-CD1 4.37Å; M323-F353 HydrophobicContact CG-CE1 3.74Å; M323-F353 HydrophobicContact CG-CZ 4.34Å; A349-F353 PolarHBondContact O-N 3.48Å; F353-W356 AromaticContact CE1-CD1 3.64Å; F353-W356 AromaticContact CE1-NE1 3.44Å; F353-W356 AromaticContact CZ-NE1 3.68Å; F353-I568 HydrophobicContact CD2-CD1 4.11Å; F353-I568 HydrophobicContact CE2-CD1 4.02Å | ||
| 354 | E | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -78.6 | 146 | 170.9 | 68.9 | -71.8 | 173.5 | 0 | 0 | 111.4 | N263 Y266 R270 | N263-E354 WeakPolarHBondContact OD1-CG 3.42Å; Y266-E354 HydrophobicContact CD2-CG 4.19Å; R270-E354 IonicContact CZ-OE1 3.41Å; R270-E354 IonicContact CZ-OE2 2.69Å; R270-E354 VanDerWaalsContact NH1-CD 3.35Å; R270-E354 IonicContact NH1-OE1 2.56Å; R270-E354 PolarHBondContact NH1-OE1 3.37Å; R270-E354 IonicContact NH1-OE2 2.73Å; R270-E354 PolarHBondContact NH1-OE2 3.08Å; R270-E354 IonicContact NH2-OE1 3.23Å; R270-E354 IonicContact NH2-OE2 3.92Å; R270-E354 PolarHBondContact NH2-OE2 3.39Å | ||
| 355 | P | 93.2 | Very high | 92.5 | Very high | 9 Ų | 9 | 4.7 Ų | 4.7 | 6% | 0.058 | 3% | 0.025 | C | C | . | . | trans | -60.9 | 138.5 | 172 | -21 | 31.9 | 0 | 0 | 0 | 111.6 | P325 D357 T778 S781 | P325-P355 HydrophobicContact CG-CB 4.01Å; P325-P355 HydrophobicContact CG-CG 3.84Å; P355-D357 PolarHBondContact O-N 3.03Å; P355-T778 HydrophobicContact CG-CG2 4.14Å; P355-S781 WeakPolarHBondContact CD-OG 3.12Å; P355-S781 WeakPolarHBondContact O-CB 3.11Å; P355-S781 PolarHBondContact O-OG 2.82Å | ||
| 356 | W | 93.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 6.6 Ų | 6.6 | 3% | 0.027 | 4% | 0.035 | C | C | . | . | trans | -85.9 | 91.5 | 165 | -75.1 | 49.3 | 0 | 0 | 0 | 107.3 | I257 L260 N263 I291 F301 M304 M323 F353 | I257-W356 HydrophobicContact CG2-CB 4.21Å; I257-W356 HydrophobicContact CG2-CE3 3.92Å; L260-W356 HydrophobicContact CD1-CH2 4.39Å; L260-W356 HydrophobicContact CD1-CZ3 3.85Å; N263-W356 HydrophobicContact CB-CD2 3.89Å; N263-W356 VanDerWaalsContact CB-CE2 3.47Å; N263-W356 HydrophobicContact CB-CE3 4.3Å; N263-W356 HydrophobicContact CB-CG 4.44Å; N263-W356 HydrophobicContact CB-CH2 4.01Å; N263-W356 HydrophobicContact CB-CZ2 3.56Å; N263-W356 HydrophobicContact CB-CZ3 4.35Å; I291-W356 HydrophobicContact CD1-CH2 4.28Å; F301-W356 HydrophobicContact CB-CE3 4.07Å; F301-W356 HydrophobicContact CB-CZ3 4.11Å; F301-W356 HydrophobicContact CD2-CB 3.96Å; F301-W356 AromaticContact CD2-CD2 3.99Å; F301-W356 HydrophobicContact CD2-CD2 3.99Å; F301-W356 AromaticContact CD2-CE3 3.69Å; F301-W356 HydrophobicContact CD2-CE3 3.69Å; F301-W356 HydrophobicContact CD2-CG 4.13Å; F301-W356 HydrophobicContact CE2-CB 3.88Å; F301-W356 HydrophobicContact CE2-CG 4.27Å; F301-W356 HydrophobicContact CG-CE3 4.32Å; M304-W356 HydrophobicContact CB-CZ2 4.24Å; M304-W356 HydrophobicContact CG-CZ2 4.34Å; M323-W356 HydrophobicContact CE-CD2 3.96Å; M323-W356 HydrophobicContact CE-CG 4.11Å; M323-W356 HydrophobicContact CE-CZ2 4.43Å; M323-W356 PolarHBondContact O-N 3.49Å; F353-W356 AromaticContact CE1-CD1 3.64Å; F353-W356 AromaticContact CE1-NE1 3.44Å; F353-W356 AromaticContact CZ-NE1 3.68Å | ||
| 357 | D | 90.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 7 Ų | 7 | 2% | 0.021 | 4% | 0.04 | C | C | . | . | trans | -83.5 | 159.8 | -170.4 | -144 | -4.2 | 0 | 0 | 0 | 112.3 | I257 N258 T259 P355 R376 S777 T778 | I257-D357 CarbonylContact C-O 3.51Å; I257-D357 WeakPolarHBondContact CA-O 3.36Å; I257-D357 WeakPolarHBondContact CG2-O 3.44Å; N258-D357 PolarHBondContact N-O 3.13Å; N258-D357 VanDerWaalsContact N-O 3.07Å; N258-D357 PolarHBondContact OD1-O 2.92Å; T259-D357 HydrophobicContact CG2-CB 3.96Å; T259-D357 PolarHBondContact OG1-N 2.99Å; T259-D357 PolarHBondContact OG1-O 3.36Å; P355-D357 PolarHBondContact O-N 3.03Å; D357-R376 WeakPolarHBondContact OD1-CD 3.47Å; D357-S777 WeakPolarHBondContact OD2-CA 3.13Å; D357-S777 VanDerWaalsContact OD2-CB 3.31Å; D357-S777 WeakPolarHBondContact OD2-CB 3.26Å; D357-S777 PolarHBondContact OD2-N 2.88Å; D357-T778 PolarHBondContact OD2-N 2.71Å | ||
| 358 | G | 87.8 | Confident | 92 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | S | Bend | trans | 126.8 | 166 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E256 N258 A360 D375 | E256-G358 CarbonylContact O-C 3.43Å; E256-G358 WeakPolarHBondContact O-CA 3.26Å; N258-G358 PolarHBondContact OD1-N 3.02Å; G358-A360 PolarHBondContact O-N 3.18Å; G358-D375 WeakPolarHBondContact O-CB 2.92Å |
| 359 | P | 87.2 | Confident | 92 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -58.5 | 127.3 | 173 | -19.4 | 30.9 | 0 | 0 | 0 | 109.8 | G255 E256 L379 R380 N544 P545 | G255-P359 CarbonylContact C-O 3.59Å; G255-P359 VanDerWaalsContact CA-O 3.23Å; G255-P359 WeakPolarHBondContact CA-O 3.5Å; E256-P359 PolarHBondContact N-O 3.31Å; E256-P359 WeakPolarHBondContact O-CD 3.44Å; P359-L379 HydrophobicContact CB-CB 3.81Å; P359-L379 HydrophobicContact CB-CD1 4.19Å; P359-L379 HydrophobicContact CG-CB 4.25Å; P359-L379 HydrophobicContact CG-CD1 3.84Å; P359-R380 HydrophobicContact CB-CG 4.33Å; P359-N544 HydrophobicContact CG-CB 3.72Å; P359-P545 HydrophobicContact CG-CG 4.24Å |
| 360 | A | 89.5 | Confident | 92 | Very high | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.008 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 126.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H253 I324 G358 I362 L374 D375 | H253-A360 WeakPolarHBondContact NE2-CB 3.36Å; I324-A360 HydrophobicContact CD1-CB 4.44Å; G358-A360 PolarHBondContact O-N 3.18Å; A360-I362 HydrophobicContact CB-CG1 4.21Å; A360-L374 CarbonylContact O-C 3.58Å; A360-L374 WeakPolarHBondContact O-CA 3.47Å; A360-D375 HydrophobicContact CB-CB 4.08Å; A360-D375 PolarHBondContact N-OD1 2.93Å; A360-D375 VanDerWaalsContact N-OD1 3.09Å; A360-D375 PolarHBondContact O-N 2.87Å |
| 361 | L | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 107.2 | 153.5 | 167.9 | 59.1 | 0 | 0 | 0 | 107 | V26 N254 V363 A372 L374 R380 P381 A382 M394 | V26-L361 HydrophobicContact CG1-CD2 3.35Å; V26-L361 HydrophobicContact CG1-CG 3.78Å; N254-L361 HydrophobicContact CB-CB 4.25Å; N254-L361 PolarHBondContact N-O 3.01Å; N254-L361 PolarHBondContact O-N 3.49Å; L361-V363 HydrophobicContact CD1-CG2 4.44Å; L361-V363 HydrophobicContact CG-CG2 4.42Å; L361-A372 HydrophobicContact CD1-CB 4.06Å; L361-L374 HydrophobicContact CB-CD2 3.86Å; L361-L374 HydrophobicContact CD1-CD2 3.93Å; L361-L374 HydrophobicContact CG-CD2 4.42Å; L361-R380 HydrophobicContact CB-CB 3.83Å; L361-R380 HydrophobicContact CB-CG 4.36Å; L361-P381 WeakPolarHBondContact CD2-O 3.16Å; L361-A382 HydrophobicContact CD1-CB 3.76Å; L361-A382 HydrophobicContact CD2-CB 3.93Å; L361-A382 HydrophobicContact CG-CB 4.48Å; L361-M394 HydrophobicContact CD1-CE 4.4Å |
| 362 | I | 93.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.7 | 176.2 | -58.4 | -161 | 0 | 0 | 0 | 108.5 | M251 F301 I324 A360 F364 A372 I373 | M251-I362 HydrophobicContact CB-CG2 3.77Å; M251-I362 HydrophobicContact CG-CG2 4.35Å; M251-I362 HydrophobicContact SD-CD1 4.38Å; M251-I362 HydrophobicContact SD-CG2 4.01Å; F301-I362 HydrophobicContact CD1-CD1 3.64Å; F301-I362 HydrophobicContact CD2-CD1 4.17Å; F301-I362 HydrophobicContact CE1-CD1 3.31Å; F301-I362 HydrophobicContact CE2-CD1 3.86Å; F301-I362 HydrophobicContact CG-CD1 4.08Å; F301-I362 HydrophobicContact CZ-CD1 3.44Å; F301-I362 VanDerWaalsContact CZ-CD1 3.44Å; I324-I362 HydrophobicContact CD1-CD1 3.51Å; I324-I362 HydrophobicContact CD1-CG1 3.94Å; A360-I362 HydrophobicContact CB-CG1 4.21Å; I362-F364 HydrophobicContact CG2-CB 4.46Å; I362-F364 HydrophobicContact CG2-CD1 4.11Å; I362-A372 CarbonylContact O-C 3.52Å; I362-A372 WeakPolarHBondContact O-CA 3.39Å; I362-I373 HydrophobicContact CB-CG2 4.06Å; I362-I373 PolarHBondContact N-O 3.39Å; I362-I373 PolarHBondContact O-N 2.94Å |
| 363 | V | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.5 | 168.6 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | V26 F28 I229 M251 A252 L361 G371 A372 M394 | V26-V363 HydrophobicContact CG1-CG2 4.07Å; V26-V363 HydrophobicContact CG2-CB 4.14Å; V26-V363 HydrophobicContact CG2-CG2 3.63Å; F28-V363 HydrophobicContact CB-CG1 4.18Å; F28-V363 HydrophobicContact CD1-CG1 3.54Å; F28-V363 HydrophobicContact CE1-CG1 4.37Å; F28-V363 HydrophobicContact CG-CG1 4.27Å; I229-V363 HydrophobicContact CD1-CG1 3.95Å; I229-V363 HydrophobicContact CG1-CG1 3.95Å; I229-V363 HydrophobicContact CG2-CB 4.26Å; I229-V363 HydrophobicContact CG2-CG1 3.85Å; M251-V363 CarbonylContact C-O 3.53Å; M251-V363 WeakPolarHBondContact CA-O 3.28Å; M251-V363 WeakPolarHBondContact CB-O 3.48Å; A252-V363 PolarHBondContact N-O 3.23Å; A252-V363 PolarHBondContact O-N 3.04Å; L361-V363 HydrophobicContact CD1-CG2 4.44Å; L361-V363 HydrophobicContact CG-CG2 4.42Å; V363-G371 CarbonylContact C-O 3.57Å; V363-G371 WeakPolarHBondContact CA-O 3.49Å; V363-A372 HydrophobicContact CG2-CB 4.19Å; V363-M394 HydrophobicContact CB-CE 4.46Å; V363-M394 HydrophobicContact CG1-CE 4.4Å; V363-M394 HydrophobicContact CG2-CE 3.28Å |
| 364 | F | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.7 | -172 | 54.5 | -97.2 | 0 | 0 | 0 | 112 | M250 M251 L316 V320 I362 I370 G371 I373 L420 I422 | M250-F364 CarbonylContact O-C 3.49Å; M250-F364 VanDerWaalsContact O-CA 3.24Å; M250-F364 WeakPolarHBondContact O-CA 3.14Å; M251-F364 HydrophobicContact CB-CB 4.19Å; L316-F364 HydrophobicContact CD1-CD2 4.48Å; L316-F364 HydrophobicContact CD2-CB 4.46Å; L316-F364 HydrophobicContact CD2-CD2 3.66Å; L316-F364 HydrophobicContact CD2-CE2 4.45Å; L316-F364 HydrophobicContact CD2-CG 4.46Å; L316-F364 HydrophobicContact CG-CD2 3.88Å; L316-F364 HydrophobicContact CG-CE2 4.41Å; V320-F364 HydrophobicContact CB-CE1 4.48Å; V320-F364 HydrophobicContact CG1-CD1 4.36Å; V320-F364 HydrophobicContact CG1-CE1 3.88Å; V320-F364 HydrophobicContact CG1-CZ 4.39Å; V320-F364 HydrophobicContact CG2-CD1 4Å; V320-F364 HydrophobicContact CG2-CD2 4.48Å; V320-F364 HydrophobicContact CG2-CE1 4.11Å; V320-F364 HydrophobicContact CG2-CG 4.2Å; V320-F364 HydrophobicContact CG2-CZ 4.4Å; I362-F364 HydrophobicContact CG2-CB 4.46Å; I362-F364 HydrophobicContact CG2-CD1 4.11Å; F364-I370 WeakPolarHBondContact O-CA 3.34Å; F364-G371 PolarHBondContact N-O 3.23Å; F364-G371 PolarHBondContact O-N 3.48Å; F364-I373 HydrophobicContact CE1-CB 4.19Å; F364-I373 HydrophobicContact CE1-CG2 4.11Å; F364-L420 HydrophobicContact CE1-CD2 4.07Å; F364-L420 HydrophobicContact CZ-CD2 3.59Å; F364-I422 HydrophobicContact CE2-CD1 4.48Å |
| 365 | S | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 1% | 0.007 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 142.1 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | R199 M250 G367 Y369 | R199-S365 WeakPolarHBondContact CD-O 3.34Å; R199-S365 PolarHBondContact NH1-O 3Å; M250-S365 PolarHBondContact O-N 3.37Å; S365-G367 PolarHBondContact OG-N 3.45Å; S365-Y369 WeakPolarHBondContact CA-O 3.43Å; S365-Y369 VanDerWaalsContact CB-O 3.28Å; S365-Y369 WeakPolarHBondContact CB-O 3.48Å; S365-Y369 PolarHBondContact OG-O 2.72Å |
| 366 | D | 92 | Very high | 92.3 | Very high | 41 Ų | 41 | 10.3 Ų | 10.3 | 22% | 0.219 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -101.1 | 3.6 | 166.2 | 64.4 | 4.9 | 0 | 0 | 0 | 113.1 | M250 L316 R368 Y369 | M250-D366 HydrophobicContact CE-CB 3.97Å; L316-D366 HydrophobicContact CD2-CB 3.95Å; D366-R368 PolarHBondContact OD1-N 3.45Å; D366-Y369 PolarHBondContact N-O 2.98Å; D366-Y369 PolarHBondContact OD1-N 3.21Å |
| 367 | G | 89.5 | Confident | 92 | Very high | 10 Ų | 10 | 10.2 Ų | 10.2 | 10% | 0.103 | 5% | 0.047 | C | C | . | . | S | Bend | trans | 99.7 | -21.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H226 S365 | H226-G367 PolarHBondContact NE2-O 3.31Å; S365-G367 PolarHBondContact OG-N 3.45Å |
| 368 | R | 90.7 | Very high | 91.8 | Very high | 87 Ų | 87 | 10.4 Ų | 10.4 | 33% | 0.328 | 5% | 0.05 | S | C | . | . | S | Bend | trans | -104.1 | -57.9 | 170.7 | 170 | -172.1 | 168.7 | 168.8 | -6.3 | 110.4 | D366 D424 T425 E426 | D366-R368 PolarHBondContact OD1-N 3.45Å; R368-D424 IonicContact CZ-OD1 2.74Å; R368-D424 IonicContact CZ-OD2 3.23Å; R368-D424 IonicContact NE-OD1 3.46Å; R368-D424 PolarHBondContact NE-OD1 3.46Å; R368-D424 IonicContact NE-OD2 2.94Å; R368-D424 IonicContact NH2-OD1 2.72Å; R368-D424 PolarHBondContact NH2-OD1 2.95Å; R368-D424 IonicContact NH2-OD2 3.33Å; R368-D424 PolarHBondContact NH2-OD2 2.96Å; R368-T425 WeakPolarHBondContact O-CG2 3.31Å; R368-T425 PolarHBondContact O-N 3.12Å; R368-T425 PolarHBondContact O-OG1 3.08Å; R368-E426 VanDerWaalsContact CD-OE2 3.24Å; R368-E426 WeakPolarHBondContact CD-OE2 3.2Å; R368-E426 HydrophobicContact CG-CB 4.13Å; R368-E426 IonicContact CZ-OE2 3.1Å; R368-E426 IonicContact NE-OE2 2.99Å; R368-E426 PolarHBondContact NE-OE2 2.83Å; R368-E426 VanDerWaalsContact NE-OE2 3.16Å; R368-E426 IonicContact NH1-OE2 3.51Å; R368-E426 PolarHBondContact NH1-OE2 3.46Å; R368-E426 IonicContact NH2-OE2 3.95Å |
| 369 | Y | 93.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 10.6 Ų | 10.6 | 17% | 0.165 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 133.2 | 173.4 | -68.3 | -67.2 | 0 | 0 | 0 | 108.1 | S365 D366 I422 V423 D424 L431 | S365-Y369 WeakPolarHBondContact CA-O 3.43Å; S365-Y369 VanDerWaalsContact CB-O 3.28Å; S365-Y369 WeakPolarHBondContact CB-O 3.48Å; S365-Y369 PolarHBondContact OG-O 2.72Å; D366-Y369 PolarHBondContact N-O 2.98Å; D366-Y369 PolarHBondContact OD1-N 3.21Å; Y369-I422 HydrophobicContact CD1-CD1 3.74Å; Y369-I422 HydrophobicContact CD1-CG1 4.09Å; Y369-I422 HydrophobicContact CE1-CD1 4.46Å; Y369-I422 HydrophobicContact CG-CD1 4.2Å; Y369-V423 WeakPolarHBondContact CA-O 3.31Å; Y369-D424 HydrophobicContact CD1-CB 4.02Å; Y369-D424 HydrophobicContact CE1-CB 3.69Å; Y369-L431 HydrophobicContact CE1-CD1 4.27Å |
| 370 | I | 94.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.01 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.3 | 160.8 | -174.1 | 163.9 | 0 | 0 | 0 | 107.7 | F28 V30 F227 I229 F364 I422 V423 | F28-I370 HydrophobicContact CB-CD1 3.81Å; F28-I370 HydrophobicContact CD1-CG1 4.42Å; F28-I370 HydrophobicContact CD2-CD1 3.66Å; F28-I370 HydrophobicContact CD2-CG1 4.04Å; F28-I370 HydrophobicContact CE2-CD1 4.36Å; F28-I370 HydrophobicContact CE2-CG1 4.32Å; F28-I370 HydrophobicContact CE2-CG2 4.49Å; F28-I370 HydrophobicContact CG-CD1 3.76Å; F28-I370 HydrophobicContact CG-CG1 4.11Å; V30-I370 HydrophobicContact CB-CD1 4.42Å; V30-I370 HydrophobicContact CB-CG2 3.86Å; V30-I370 HydrophobicContact CG1-CG2 3.83Å; V30-I370 HydrophobicContact CG2-CG2 3.71Å; F227-I370 HydrophobicContact CB-CD1 3.84Å; F227-I370 HydrophobicContact CD2-CD1 3.67Å; F227-I370 HydrophobicContact CG-CD1 4.05Å; I229-I370 HydrophobicContact CD1-CD1 4.29Å; I229-I370 HydrophobicContact CG1-CD1 3.9Å; F364-I370 WeakPolarHBondContact O-CA 3.34Å; I370-I422 WeakPolarHBondContact O-CA 3.48Å; I370-V423 HydrophobicContact CG2-CB 3.79Å; I370-V423 HydrophobicContact CG2-CG1 4.42Å; I370-V423 PolarHBondContact N-O 3.31Å; I370-V423 VanDerWaalsContact N-O 3.08Å; I370-V423 PolarHBondContact O-N 3.35Å |
| 371 | G | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 177.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V363 F364 L421 | V363-G371 CarbonylContact C-O 3.57Å; V363-G371 WeakPolarHBondContact CA-O 3.49Å; F364-G371 PolarHBondContact N-O 3.23Å; F364-G371 PolarHBondContact O-N 3.48Å; G371-L421 CarbonylContact C-O 3.47Å; G371-L421 WeakPolarHBondContact CA-O 3.07Å |
| 372 | A | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | F28 L361 I362 V363 M394 L415 L420 L421 | F28-A372 HydrophobicContact CE1-CB 4.32Å; L361-A372 HydrophobicContact CD1-CB 4.06Å; I362-A372 CarbonylContact O-C 3.52Å; I362-A372 WeakPolarHBondContact O-CA 3.39Å; V363-A372 HydrophobicContact CG2-CB 4.19Å; A372-M394 HydrophobicContact CB-CE 3.66Å; A372-L415 HydrophobicContact CB-CD2 3.88Å; A372-L415 WeakPolarHBondContact O-CD2 3.32Å; A372-L420 WeakPolarHBondContact O-CA 3.3Å; A372-L421 PolarHBondContact N-O 3.05Å; A372-L421 PolarHBondContact O-N 3.44Å |
| 373 | I | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.005 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 146.1 | 170.5 | -165.7 | 166.1 | 0 | 0 | 0 | 109.2 | V320 I324 I362 F364 L420 | V320-I373 HydrophobicContact CG1-CB 4.02Å; V320-I373 HydrophobicContact CG1-CD1 3.79Å; V320-I373 HydrophobicContact CG1-CG1 4.49Å; V320-I373 HydrophobicContact CG1-CG2 3.48Å; V320-I373 VanDerWaalsContact CG1-CG2 3.48Å; I324-I373 HydrophobicContact CB-CD1 4.31Å; I324-I373 HydrophobicContact CD1-CG2 4.06Å; I324-I373 HydrophobicContact CG2-CD1 4.27Å; I362-I373 HydrophobicContact CB-CG2 4.06Å; I362-I373 PolarHBondContact N-O 3.39Å; I362-I373 PolarHBondContact O-N 2.94Å; F364-I373 HydrophobicContact CE1-CB 4.19Å; F364-I373 HydrophobicContact CE1-CG2 4.11Å; I373-L420 HydrophobicContact CB-CD2 3.96Å; I373-L420 HydrophobicContact CD1-CD2 4.01Å; I373-L420 HydrophobicContact CD1-CG 4.19Å; I373-L420 HydrophobicContact CG1-CD2 4.23Å |
| 374 | L | 92.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 151.9 | 165.7 | -72.8 | 177.6 | 0 | 0 | 0 | 110.7 | A360 L361 R380 A382 L415 G418 | A360-L374 CarbonylContact O-C 3.58Å; A360-L374 WeakPolarHBondContact O-CA 3.47Å; L361-L374 HydrophobicContact CB-CD2 3.86Å; L361-L374 HydrophobicContact CD1-CD2 3.93Å; L361-L374 HydrophobicContact CG-CD2 4.42Å; L374-R380 HydrophobicContact CD2-CB 4.17Å; L374-R380 WeakPolarHBondContact CD2-O 3.2Å; L374-A382 HydrophobicContact CD2-CB 4.24Å; L374-A382 HydrophobicContact CG-CB 4.48Å; L374-L415 HydrophobicContact CD1-CB 3.61Å; L374-L415 WeakPolarHBondContact CD1-O 3.02Å; L374-L415 HydrophobicContact CG-CB 3.79Å; L374-L415 HydrophobicContact CG-CD2 4.11Å; L374-G418 WeakPolarHBondContact O-CA 3.28Å; L374-G418 PolarHBondContact O-N 2.82Å |
| 375 | D | 91.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 6% | 0.062 | C | C | . | . | trans | -54.1 | 167.4 | 167.4 | 73.1 | -89.8 | 0 | 0 | 0 | 112.1 | G358 A360 N377 G378 L379 A417 G418 | G358-D375 WeakPolarHBondContact O-CB 2.92Å; A360-D375 HydrophobicContact CB-CB 4.08Å; A360-D375 PolarHBondContact N-OD1 2.93Å; A360-D375 VanDerWaalsContact N-OD1 3.09Å; A360-D375 PolarHBondContact O-N 2.87Å; D375-N377 PolarHBondContact O-N 2.81Å; D375-N377 VanDerWaalsContact O-N 3.12Å; D375-N377 VanDerWaalsContact OD2-CA 3.3Å; D375-N377 WeakPolarHBondContact OD2-CA 3.41Å; D375-N377 VanDerWaalsContact OD2-CB 3.27Å; D375-N377 WeakPolarHBondContact OD2-CB 3.43Å; D375-N377 PolarHBondContact OD2-N 2.94Å; D375-G378 PolarHBondContact O-N 3.29Å; D375-G378 VanDerWaalsContact O-N 3.07Å; D375-G378 PolarHBondContact OD2-N 2.94Å; D375-L379 PolarHBondContact OD1-N 3Å; D375-A417 WeakPolarHBondContact O-CA 3.42Å; D375-G418 PolarHBondContact O-N 2.97Å | ||
| 376 | R | 89.4 | Confident | 90.9 | Very high | 10 Ų | 10 | 13.6 Ų | 13.6 | 4% | 0.038 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.6 | -173.6 | 71.3 | -157.2 | -46.9 | -97.9 | -7.4 | 114.8 | D357 V555 | D357-R376 WeakPolarHBondContact OD1-CD 3.47Å; R376-V555 PolarHBondContact NH1-O 3.01Å |
| 377 | N | 87.3 | Confident | 90.9 | Very high | 6 Ų | 6 | 12 Ų | 12 | 3% | 0.032 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -15 | 177.2 | -58.4 | -18.6 | 0 | 0 | 0 | 111.9 | D375 L379 I547 V555 S777 | D375-N377 PolarHBondContact O-N 2.81Å; D375-N377 VanDerWaalsContact O-N 3.12Å; D375-N377 VanDerWaalsContact OD2-CA 3.3Å; D375-N377 WeakPolarHBondContact OD2-CA 3.41Å; D375-N377 VanDerWaalsContact OD2-CB 3.27Å; D375-N377 WeakPolarHBondContact OD2-CB 3.43Å; D375-N377 PolarHBondContact OD2-N 2.94Å; N377-L379 HydrophobicContact CB-CD1 3.94Å; N377-L379 HydrophobicContact CB-CD2 4.06Å; N377-L379 HydrophobicContact CB-CG 3.68Å; N377-I547 WeakPolarHBondContact ND2-CD1 3.49Å; N377-V555 WeakPolarHBondContact OD1-CB 3.38Å; N377-V555 VanDerWaalsContact OD1-CG1 3.3Å; N377-V555 WeakPolarHBondContact OD1-CG1 3.46Å; N377-V555 WeakPolarHBondContact OD1-CG2 3.27Å; N377-S777 PolarHBondContact ND2-OG 3.45Å; N377-S777 PolarHBondContact OD1-OG 3.3Å |
| 378 | G | 87.8 | Confident | 90.9 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 7% | 0.072 | 7% | 0.074 | C | C | . | . | trans | 66.6 | 49.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D375 | D375-G378 PolarHBondContact O-N 3.29Å; D375-G378 VanDerWaalsContact O-N 3.07Å; D375-G378 PolarHBondContact OD2-N 2.94Å | ||
| 379 | L | 87 | Confident | 90.9 | Very high | 6 Ų | 6 | 13.1 Ų | 13.1 | 3% | 0.031 | 7% | 0.073 | C | C | . | . | trans | -85.3 | -5.8 | -171 | -63.2 | 170.8 | 0 | 0 | 0 | 113.8 | P359 D375 N377 P545 Y1046 | P359-L379 HydrophobicContact CB-CB 3.81Å; P359-L379 HydrophobicContact CB-CD1 4.19Å; P359-L379 HydrophobicContact CG-CB 4.25Å; P359-L379 HydrophobicContact CG-CD1 3.84Å; D375-L379 PolarHBondContact OD1-N 3Å; N377-L379 HydrophobicContact CB-CD1 3.94Å; N377-L379 HydrophobicContact CB-CD2 4.06Å; N377-L379 HydrophobicContact CB-CG 3.68Å; L379-P545 HydrophobicContact CD1-CG 3.97Å; L379-P545 HydrophobicContact CD2-CG 4.31Å; L379-Y1046 HydrophobicContact CB-CD2 4.31Å; L379-Y1046 HydrophobicContact CD2-CD2 4.28Å; L379-Y1046 HydrophobicContact CD2-CE1 4.22Å; L379-Y1046 HydrophobicContact CD2-CE2 3.95Å; L379-Y1046 WeakPolarHBondContact O-CB 3.17Å; L379-Y1046 WeakPolarHBondContact O-CD2 3.25Å | ||
| 380 | R | 88.9 | Confident | 90.8 | Very high | 2 Ų | 2 | 13.7 Ų | 13.7 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -116.6 | 145.8 | 173.1 | -57 | -53.4 | -55.9 | 132.5 | -11.2 | 111.2 | N254 P359 L361 L374 S1047 E1049 D1050 | N254-R380 WeakPolarHBondContact O-CG 3.49Å; N254-R380 PolarHBondContact OD1-NE 3.33Å; N254-R380 VanDerWaalsContact OD1-NE 3.09Å; P359-R380 HydrophobicContact CB-CG 4.33Å; L361-R380 HydrophobicContact CB-CB 3.83Å; L361-R380 HydrophobicContact CB-CG 4.36Å; L374-R380 HydrophobicContact CD2-CB 4.17Å; L374-R380 WeakPolarHBondContact CD2-O 3.2Å; R380-S1047 VanDerWaalsContact CZ-OG 3.29Å; R380-S1047 PolarHBondContact NH1-OG 3.1Å; R380-S1047 PolarHBondContact NH2-OG 2.95Å; R380-E1049 IonicContact CZ-OE1 2.8Å; R380-E1049 IonicContact NE-OE1 3.14Å; R380-E1049 VanDerWaalsContact NH2-CD 3.34Å; R380-E1049 IonicContact NH2-OE1 3.97Å; R380-E1049 PolarHBondContact NH2-OE1 3.31Å; R380-D1050 IonicContact CZ-OD1 3.29Å; R380-D1050 IonicContact CZ-OD2 2.7Å; R380-D1050 IonicContact NH1-OD1 3.64Å; R380-D1050 IonicContact NH1-OD2 3.58Å; R380-D1050 PolarHBondContact NH1-OD2 2.94Å; R380-D1050 IonicContact NH2-OD1 2.9Å; R380-D1050 PolarHBondContact NH2-OD1 3.23Å; R380-D1050 IonicContact NH2-OD2 3.8Å |
| 381 | P | 87.6 | Confident | 90.7 | Very high | 6 Ų | 6 | 13.9 Ų | 13.9 | 4% | 0.039 | 8% | 0.08 | C | C | . | . | trans | -77.4 | 139.7 | 176.3 | 31.8 | -33.9 | 0 | 0 | 0 | 111 | L361 S396 D1393 | L361-P381 WeakPolarHBondContact CD2-O 3.16Å; P381-S396 WeakPolarHBondContact CB-O 3.43Å; P381-S396 WeakPolarHBondContact O-CA 3.39Å; P381-D1393 WeakPolarHBondContact CB-OD2 3.33Å | ||
| 382 | A | 91.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 14 Ų | 14 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | trans | -146.6 | 117.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | L361 L374 M394 R414 L415 | L361-A382 HydrophobicContact CD1-CB 3.76Å; L361-A382 HydrophobicContact CD2-CB 3.93Å; L361-A382 HydrophobicContact CG-CB 4.48Å; L374-A382 HydrophobicContact CD2-CB 4.24Å; L374-A382 HydrophobicContact CG-CB 4.48Å; A382-M394 HydrophobicContact CB-SD 4.08Å; A382-R414 CarbonylContact O-C 3.38Å; A382-R414 WeakPolarHBondContact O-CA 3.32Å; A382-R414 WeakPolarHBondContact O-CB 3.25Å; A382-L415 HydrophobicContact CB-CB 4.08Å; A382-L415 HydrophobicContact CB-CD1 4.06Å; A382-L415 HydrophobicContact CB-CD2 4.49Å; A382-L415 HydrophobicContact CB-CG 4.45Å; A382-L415 PolarHBondContact O-N 3.42Å | ||
| 383 | R | 91.3 | Very high | 90.8 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.8 | -174.3 | -57.1 | -61.4 | -176 | 120.3 | -10 | 109.5 | M394 S395 V398 G413 D1393 V1425 A1445 | R383-M394 CarbonylContact O-C 3.56Å; R383-M394 VanDerWaalsContact O-CA 3.27Å; R383-M394 WeakPolarHBondContact O-CA 3.41Å; R383-M394 WeakPolarHBondContact O-CG 3.22Å; R383-S395 PolarHBondContact N-O 3.03Å; R383-S395 PolarHBondContact O-N 3.09Å; R383-S395 VanDerWaalsContact O-O 3.1Å; R383-V398 HydrophobicContact CB-CG1 3.92Å; R383-V398 HydrophobicContact CG-CG1 3.99Å; R383-G413 WeakPolarHBondContact CA-O 3.19Å; R383-D1393 IonicContact NH2-OD1 3.68Å; R383-V1425 PolarHBondContact NH1-O 3.2Å; R383-V1425 PolarHBondContact NH2-O 3.38Å; R383-V1425 VanDerWaalsContact NH2-O 3.13Å; R383-A1445 VanDerWaalsContact NH2-CB 3.34Å |
| 384 | F | 91.9 | Very high | 90.8 | Very high | 15 Ų | 15 | 14.2 Ų | 14.2 | 7% | 0.066 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153 | 177.8 | 76.3 | -90 | 0 | 0 | 0 | 114.3 | Y393 M394 Q411 G413 L421 L430 | F384-Y393 CarbonylContact C-O 3.57Å; F384-Y393 WeakPolarHBondContact CA-O 3.5Å; F384-Y393 WeakPolarHBondContact CB-O 3.29Å; F384-M394 HydrophobicContact CB-CB 4.19Å; F384-M394 HydrophobicContact CB-CG 4.12Å; F384-Q411 HydrophobicContact CE2-CG 4.26Å; F384-Q411 HydrophobicContact CZ-CG 4.45Å; F384-G413 VanDerWaalsContact CE1-CA 3.48Å; F384-G413 PolarHBondContact N-O 2.84Å; F384-G413 PolarHBondContact O-N 3.41Å; F384-L421 HydrophobicContact CB-CD2 3.84Å; F384-L421 HydrophobicContact CD1-CD1 3.88Å; F384-L421 HydrophobicContact CD1-CD2 4.02Å; F384-L421 HydrophobicContact CD2-CD1 4.15Å; F384-L421 HydrophobicContact CE1-CD1 3.84Å; F384-L421 HydrophobicContact CE2-CD1 4.14Å; F384-L421 HydrophobicContact CG-CD1 4.03Å; F384-L421 HydrophobicContact CG-CD2 3.91Å; F384-L421 HydrophobicContact CZ-CD1 3.98Å; F384-L430 HydrophobicContact CE2-CD2 4.33Å |
| 385 | Y | 90.1 | Very high | 90.8 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 8% | 0.078 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.1 | 170.8 | -54.3 | -52.8 | 0 | 0 | 0 | 110 | V392 Y393 V398 G399 Q411 K412 | Y385-V392 WeakPolarHBondContact O-CA 3.37Å; Y385-Y393 PolarHBondContact N-O 2.98Å; Y385-Y393 PolarHBondContact O-N 3.13Å; Y385-V398 HydrophobicContact CE1-CG1 4.39Å; Y385-V398 WeakPolarHBondContact OH-CB 3.28Å; Y385-V398 VanDerWaalsContact OH-CG1 3.31Å; Y385-V398 WeakPolarHBondContact OH-CG1 3.38Å; Y385-G399 PolarHBondContact OH-N 3.14Å; Y385-Q411 WeakPolarHBondContact CA-O 3.09Å; Y385-K412 HydrophobicContact CD1-CB 4.34Å; Y385-K412 HydrophobicContact CD1-CD 4.27Å; Y385-K412 HydrophobicContact CD1-CG 3.79Å; Y385-K412 HydrophobicContact CE1-CB 4.4Å; Y385-K412 HydrophobicContact CE1-CD 3.84Å; Y385-K412 HydrophobicContact CE1-CG 3.86Å |
| 386 | A | 89.7 | Confident | 90.6 | Very high | 12 Ų | 12 | 14 Ų | 14 | 10% | 0.099 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 128.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109 | V392 I410 Q411 | A386-V392 HydrophobicContact CB-CG2 4.33Å; A386-I410 WeakPolarHBondContact O-CB 3.24Å; A386-I410 PolarHBondContact O-N 3.27Å; A386-Q411 HydrophobicContact CB-CB 4.37Å; A386-Q411 PolarHBondContact N-O 2.84Å; A386-Q411 VanDerWaalsContact N-O 3.08Å; A386-Q411 PolarHBondContact O-N 2.91Å |
| 387 | T | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 13.6 Ų | 13.6 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 162.9 | -174.7 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | D389 D390 M391 Y393 I403 V407 K408 | T387-D389 WeakPolarHBondContact CB-OD1 3.42Å; T387-D389 PolarHBondContact O-N 3.29Å; T387-D389 PolarHBondContact OG1-OD1 3.08Å; T387-D390 PolarHBondContact O-N 3.05Å; T387-M391 PolarHBondContact N-O 2.79Å; T387-M391 WeakPolarHBondContact OG1-CB 3.46Å; T387-M391 PolarHBondContact OG1-O 3.08Å; T387-M391 VanDerWaalsContact OG1-O 3.12Å; T387-Y393 HydrophobicContact CG2-CE2 4.2Å; T387-I403 HydrophobicContact CG2-CD1 4.33Å; T387-I403 HydrophobicContact CG2-CG2 4.26Å; T387-V407 HydrophobicContact CG2-CG1 4.17Å; T387-K408 CarbonylContact C-O 3.59Å; T387-K408 WeakPolarHBondContact CA-O 3.29Å |
| 388 | S | 89.7 | Confident | 90.8 | Very high | 65 Ų | 65 | 13.8 Ų | 13.8 | 46% | 0.455 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.4 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 115.1 | D390 K408 | S388-D390 VanDerWaalsContact C-N 3.27Å; S388-D390 PolarHBondContact O-N 3.48Å; S388-K408 PolarHBondContact N-O 2.75Å; S388-K408 PolarHBondContact OG-N 2.84Å; S388-K408 VanDerWaalsContact OG-N 3.1Å; S388-K408 PolarHBondContact OG-O 3.47Å |
| 389 | D | 90.7 | Very high | 90.8 | Very high | 56 Ų | 56 | 13.8 Ų | 13.8 | 30% | 0.299 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 24.8 | 175.1 | 68.3 | -32.5 | 0 | 0 | 0 | 113.4 | T387 M391 V407 | T387-D389 WeakPolarHBondContact CB-OD1 3.42Å; T387-D389 PolarHBondContact O-N 3.29Å; T387-D389 PolarHBondContact OG1-OD1 3.08Å; D389-M391 VanDerWaalsContact C-N 3.29Å; D389-M391 PolarHBondContact O-N 3.11Å; D389-V407 HydrophobicContact CB-CG1 4.37Å; D389-V407 WeakPolarHBondContact OD1-CG1 3.49Å |
| 390 | D | 92.4 | Very high | 90.9 | Very high | 55 Ų | 55 | 13.6 Ų | 13.6 | 29% | 0.294 | 8% | 0.079 | S | C | . | . | S | Bend | trans | 62.4 | 30.2 | 177.3 | -58.1 | -60.6 | 0 | 0 | 0 | 113.8 | N31 T32 K33 T387 S388 | N31-D390 CarbonylContact C-O 3.57Å; N31-D390 WeakPolarHBondContact CA-O 3.45Å; T32-D390 PolarHBondContact N-O 3.09Å; T32-D390 WeakPolarHBondContact OG1-CB 3.49Å; T32-D390 PolarHBondContact OG1-O 3.43Å; K33-D390 HydrophobicContact CD-CB 4.38Å; K33-D390 WeakPolarHBondContact CD-OD2 3.31Å; K33-D390 VanDerWaalsContact CE-CG 3.44Å; K33-D390 VanDerWaalsContact CE-OD1 3.27Å; K33-D390 WeakPolarHBondContact CE-OD1 3.43Å; K33-D390 VanDerWaalsContact CE-OD2 3.23Å; K33-D390 WeakPolarHBondContact CE-OD2 3.27Å; K33-D390 HydrophobicContact CG-CB 4.44Å; K33-D390 VanDerWaalsContact NZ-CG 3.29Å; K33-D390 IonicContact NZ-OD1 3.34Å; K33-D390 PolarHBondContact NZ-OD1 2.88Å; K33-D390 IonicContact NZ-OD2 3.94Å; K33-D390 PolarHBondContact NZ-OD2 2.96Å; T387-D390 PolarHBondContact O-N 3.05Å; S388-D390 VanDerWaalsContact C-N 3.27Å; S388-D390 PolarHBondContact O-N 3.48Å |
| 391 | M | 93.6 | Very high | 91 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.025 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141.4 | 178.2 | -63.6 | -73.9 | -71.2 | 0 | 0 | 111.4 | V29 V30 N31 V40 T387 D389 Y393 | V29-M391 HydrophobicContact CG1-CE 3.44Å; V29-M391 VanDerWaalsContact CG1-CE 3.44Å; V30-M391 WeakPolarHBondContact O-CA 3.39Å; N31-M391 HydrophobicContact CB-SD 3.87Å; V40-M391 HydrophobicContact CG2-CE 4.04Å; V40-M391 HydrophobicContact CG2-SD 4.46Å; T387-M391 PolarHBondContact N-O 2.79Å; T387-M391 WeakPolarHBondContact OG1-CB 3.46Å; T387-M391 PolarHBondContact OG1-O 3.08Å; T387-M391 VanDerWaalsContact OG1-O 3.12Å; D389-M391 VanDerWaalsContact C-N 3.29Å; D389-M391 PolarHBondContact O-N 3.11Å; M391-Y393 HydrophobicContact CB-CD2 4.45Å; M391-Y393 HydrophobicContact CB-CE2 3.6Å; M391-Y393 HydrophobicContact CE-CE1 4.32Å |
| 392 | V | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.7 | 169.9 | 175.8 | 0 | 0 | 0 | 0 | 109.1 | F28 V30 T32 Y385 A386 V423 | F28-V392 HydrophobicContact CE2-CG1 4.06Å; F28-V392 HydrophobicContact CZ-CG1 4.41Å; V30-V392 HydrophobicContact CG1-CB 3.85Å; V30-V392 PolarHBondContact N-O 3.09Å; V30-V392 PolarHBondContact O-N 3.22Å; T32-V392 HydrophobicContact CG2-CG2 3.59Å; Y385-V392 WeakPolarHBondContact O-CA 3.37Å; A386-V392 HydrophobicContact CB-CG2 4.33Å; V392-V423 HydrophobicContact CB-CG2 4.41Å; V392-V423 HydrophobicContact CG2-CG2 4.25Å |
| 393 | Y | 94.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.7 | 175.3 | -54 | -94.9 | 0 | 0 | 0 | 107.6 | V29 D43 M47 F384 Y385 T387 M391 V401 I403 | V29-Y393 HydrophobicContact CB-CD1 4.47Å; V29-Y393 HydrophobicContact CG1-CD1 3.91Å; V29-Y393 HydrophobicContact CG1-CE1 3.74Å; V29-Y393 HydrophobicContact CG2-CD1 3.91Å; V29-Y393 HydrophobicContact CG2-CE1 4.36Å; D43-Y393 HydrophobicContact CB-CE1 4.02Å; D43-Y393 PolarHBondContact OD2-OH 3.03Å; M47-Y393 HydrophobicContact CE-CD1 4.31Å; F384-Y393 CarbonylContact C-O 3.57Å; F384-Y393 WeakPolarHBondContact CA-O 3.5Å; F384-Y393 WeakPolarHBondContact CB-O 3.29Å; Y385-Y393 PolarHBondContact N-O 2.98Å; Y385-Y393 PolarHBondContact O-N 3.13Å; T387-Y393 HydrophobicContact CG2-CE2 4.2Å; M391-Y393 HydrophobicContact CB-CD2 4.45Å; M391-Y393 HydrophobicContact CB-CE2 3.6Å; M391-Y393 HydrophobicContact CE-CE1 4.32Å; Y393-V401 HydrophobicContact CD1-CG2 4.34Å; Y393-V401 HydrophobicContact CE1-CG1 4.32Å; Y393-I403 HydrophobicContact CD2-CD1 4.08Å; Y393-I403 HydrophobicContact CE2-CD1 3.69Å |
| 394 | M | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 133.9 | 171.9 | -167.1 | -73.9 | -71.4 | 0 | 0 | 108.8 | G27 F28 L361 V363 A372 A382 R383 F384 L421 | G27-M394 CarbonylContact C-O 3.6Å; G27-M394 WeakPolarHBondContact CA-O 3.39Å; F28-M394 HydrophobicContact CD1-CB 3.64Å; F28-M394 HydrophobicContact CD1-CE 3.58Å; F28-M394 HydrophobicContact CD1-CG 4.3Å; F28-M394 HydrophobicContact CD2-CB 4.4Å; F28-M394 HydrophobicContact CE1-CB 3.33Å; F28-M394 HydrophobicContact CE1-CE 3.7Å; F28-M394 HydrophobicContact CE1-CG 3.81Å; F28-M394 HydrophobicContact CE2-CB 4.11Å; F28-M394 HydrophobicContact CG-CB 4.18Å; F28-M394 HydrophobicContact CZ-CB 3.58Å; F28-M394 HydrophobicContact CZ-CG 4.32Å; F28-M394 PolarHBondContact N-O 2.78Å; F28-M394 PolarHBondContact O-N 3.31Å; L361-M394 HydrophobicContact CD1-CE 4.4Å; V363-M394 HydrophobicContact CB-CE 4.46Å; V363-M394 HydrophobicContact CG1-CE 4.4Å; V363-M394 HydrophobicContact CG2-CE 3.28Å; A372-M394 HydrophobicContact CB-CE 3.66Å; A382-M394 HydrophobicContact CB-SD 4.08Å; R383-M394 CarbonylContact O-C 3.56Å; R383-M394 VanDerWaalsContact O-CA 3.27Å; R383-M394 WeakPolarHBondContact O-CA 3.41Å; R383-M394 WeakPolarHBondContact O-CG 3.22Å; F384-M394 HydrophobicContact CB-CB 4.19Å; F384-M394 HydrophobicContact CB-CG 4.12Å; M394-L421 HydrophobicContact CB-CD2 4.11Å; M394-L421 HydrophobicContact CG-CD2 3.74Å |
| 395 | S | 92.7 | Very high | 89.4 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163 | 175.4 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | M51 R383 E397 | M51-S395 PolarHBondContact SD-OG 3.48Å; M51-S395 VanDerWaalsContact SD-OG 3.36Å; R383-S395 PolarHBondContact N-O 3.03Å; R383-S395 PolarHBondContact O-N 3.09Å; R383-S395 VanDerWaalsContact O-O 3.1Å; S395-E397 WeakPolarHBondContact CB-O 3.49Å; S395-E397 PolarHBondContact O-N 3.37Å; S395-E397 PolarHBondContact OG-N 3.3Å |
| 396 | S | 86.9 | Confident | 89 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -62.8 | -22.5 | 169.8 | -52.4 | 0 | 0 | 0 | 0 | 113.5 | V26 R54 P381 | V26-S396 PolarHBondContact N-OG 2.77Å; V26-S396 PolarHBondContact O-N 3.21Å; V26-S396 VanDerWaalsContact O-N 3.16Å; V26-S396 PolarHBondContact O-OG 3.48Å; R54-S396 PolarHBondContact NH1-OG 3.07Å; P381-S396 WeakPolarHBondContact CB-O 3.43Å; P381-S396 WeakPolarHBondContact O-CA 3.39Å |
| 397 | E | 89.5 | Confident | 88.6 | Confident | 3 Ų | 3 | 37.6 Ų | 37.6 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -127.7 | 156.3 | 179.7 | -70.5 | -174.2 | -172.7 | 0 | 0 | 112.5 | H53 R54 S395 V400 N1335 N1392 | H53-E397 IonicContact CD2-OE1 3.88Å; H53-E397 IonicContact CE1-OE1 3.35Å; H53-E397 IonicContact CE1-OE2 3.22Å; H53-E397 PolarHBondContact CE1-OE2 2.94Å; H53-E397 VanDerWaalsContact CE1-OE2 3.29Å; H53-E397 VanDerWaalsContact NE2-CD 3.35Å; H53-E397 IonicContact NE2-OE1 3.36Å; H53-E397 PolarHBondContact NE2-OE1 2.67Å; H53-E397 IonicContact NE2-OE2 3.97Å; H53-E397 PolarHBondContact NE2-OE2 2.85Å; H53-E397 VanDerWaalsContact NE2-OE2 3.12Å; R54-E397 WeakPolarHBondContact CD-OE1 3.27Å; R54-E397 IonicContact NE-OE1 2.71Å; S395-E397 WeakPolarHBondContact CB-O 3.49Å; S395-E397 PolarHBondContact O-N 3.37Å; S395-E397 PolarHBondContact OG-N 3.3Å; E397-V400 HydrophobicContact CB-CG1 4.16Å; E397-N1335 PolarHBondContact OE2-ND2 2.87Å; E397-N1392 VanDerWaalsContact CA-OD1 3.22Å; E397-N1392 WeakPolarHBondContact CA-OD1 3.12Å; E397-N1392 VanDerWaalsContact CB-OD1 3.3Å; E397-N1392 WeakPolarHBondContact CB-OD1 3.46Å |
| 398 | V | 90.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -82.9 | 154.7 | 165.4 | -69.5 | 0 | 0 | 0 | 0 | 111 | R383 Y385 N1335 N1392 | R383-V398 HydrophobicContact CB-CG1 3.92Å; R383-V398 HydrophobicContact CG-CG1 3.99Å; Y385-V398 HydrophobicContact CE1-CG1 4.39Å; Y385-V398 WeakPolarHBondContact OH-CB 3.28Å; Y385-V398 VanDerWaalsContact OH-CG1 3.31Å; Y385-V398 WeakPolarHBondContact OH-CG1 3.38Å; V398-N1335 WeakPolarHBondContact O-CB 3.4Å; V398-N1392 HydrophobicContact CG2-CB 4.49Å; V398-N1392 VanDerWaalsContact CG2-CG 3.48Å; V398-N1392 WeakPolarHBondContact CG2-ND2 3.2Å; V398-N1392 VanDerWaalsContact CG2-OD1 3.31Å; V398-N1392 WeakPolarHBondContact CG2-OD1 3.25Å; V398-N1392 PolarHBondContact N-OD1 3.21Å; V398-N1392 PolarHBondContact O-ND2 3.16Å; V398-N1392 VanDerWaalsContact O-ND2 3.15Å |
| 399 | G | 88 | Confident | 88 | Confident | 7 Ų | 7 | 40 Ų | 40 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 84.5 | 12.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | R50 Y385 N1335 | R50-G399 PolarHBondContact NH1-O 3.35Å; Y385-G399 PolarHBondContact OH-N 3.14Å; G399-N1335 PolarHBondContact O-OD1 3.01Å |
| 400 | V | 90.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -79.4 | -14.4 | -175.6 | -65.3 | 0 | 0 | 0 | 0 | 115.1 | M47 R50 M51 E397 | M47-V400 WeakPolarHBondContact CA-O 3.47Å; M47-V400 HydrophobicContact CB-CB 4.48Å; M47-V400 HydrophobicContact CE-CG2 4.06Å; M47-V400 HydrophobicContact CG-CB 4.03Å; M47-V400 HydrophobicContact CG-CG2 3.89Å; R50-V400 WeakPolarHBondContact CD-O 3.36Å; M51-V400 HydrophobicContact CG-CG1 4.27Å; E397-V400 HydrophobicContact CB-CG1 4.16Å |
| 401 | V | 91.1 | Very high | 87.4 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -143.6 | 138.2 | 174.5 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | D43 M47 Y393 I403 | D43-V401 HydrophobicContact CB-CG1 4.35Å; M47-V401 HydrophobicContact CB-CG2 3.91Å; M47-V401 HydrophobicContact CE-CG2 4.21Å; Y393-V401 HydrophobicContact CD1-CG2 4.34Å; Y393-V401 HydrophobicContact CE1-CG1 4.32Å; V401-I403 PolarHBondContact O-N 3.05Å |
| 402 | D | 86.9 | Confident | 87 | Confident | 117 Ų | 117 | 45.2 Ų | 45.2 | 63% | 0.626 | 24% | 0.236 | S | C | * | . | trans | -81.2 | 114.1 | 175 | -58.2 | -31.4 | 0 | 0 | 0 | 109.6 | R50 | R50-D402 IonicContact CZ-OD1 3.32Å; R50-D402 IonicContact CZ-OD2 3.03Å; R50-D402 IonicContact NH1-OD1 3.86Å; R50-D402 PolarHBondContact NH1-OD1 3.37Å; R50-D402 IonicContact NH1-OD2 3.41Å; R50-D402 IonicContact NH2-OD1 3.56Å; R50-D402 PolarHBondContact NH2-OD1 3.37Å; R50-D402 VanDerWaalsContact NH2-OD1 3.13Å; R50-D402 IonicContact NH2-OD2 2.99Å; R50-D402 PolarHBondContact NH2-OD2 3.03Å | ||
| 403 | I | 85.1 | Confident | 86.6 | Confident | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | trans | -81.1 | 132.1 | 173.2 | -54.6 | -57.7 | 0 | 0 | 0 | 108.3 | T387 Y393 V401 V407 | T387-I403 HydrophobicContact CG2-CD1 4.33Å; T387-I403 HydrophobicContact CG2-CG2 4.26Å; Y393-I403 HydrophobicContact CD2-CD1 4.08Å; Y393-I403 HydrophobicContact CE2-CD1 3.69Å; V401-I403 PolarHBondContact O-N 3.05Å; I403-V407 HydrophobicContact CG2-CB 3.92Å; I403-V407 HydrophobicContact CG2-CG1 4.03Å | ||
| 404 | Q | 80.7 | Confident | 86.3 | Confident | 132 Ų | 132 | 46.9 Ų | 46.9 | 62% | 0.617 | 25% | 0.246 | S | C | * | . | trans | -64.1 | 141.6 | 179.2 | -61.5 | -116.8 | -43.2 | 0 | 0 | 110.1 | D406 V407 | Q404-D406 WeakPolarHBondContact CB-OD1 3.48Å; Q404-D406 PolarHBondContact O-N 3.19Å; Q404-D406 VanDerWaalsContact O-N 3.11Å; Q404-V407 HydrophobicContact CB-CG2 4.21Å; Q404-V407 PolarHBondContact O-N 2.97Å | ||
| 405 | P | 75 | Confident | 86.1 | Confident | 105 Ų | 105 | 47.3 Ų | 47.3 | 68% | 0.682 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.6 | -174.8 | -24.6 | 33.5 | 0 | 0 | 0 | 115 | ||
| 406 | D | 81.7 | Confident | 85.8 | Confident | 128 Ų | 128 | 51.8 Ų | 51.8 | 68% | 0.684 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -12.5 | 177.9 | 63 | -42.2 | 0 | 0 | 0 | 113.5 | Q404 | Q404-D406 WeakPolarHBondContact CB-OD1 3.48Å; Q404-D406 PolarHBondContact O-N 3.19Å; Q404-D406 VanDerWaalsContact O-N 3.11Å |
| 407 | V | 81.6 | Confident | 85.8 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -91.7 | 109.6 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | T387 D389 I403 Q404 I409 | T387-V407 HydrophobicContact CG2-CG1 4.17Å; D389-V407 HydrophobicContact CB-CG1 4.37Å; D389-V407 WeakPolarHBondContact OD1-CG1 3.49Å; I403-V407 HydrophobicContact CG2-CB 3.92Å; I403-V407 HydrophobicContact CG2-CG1 4.03Å; Q404-V407 HydrophobicContact CB-CG2 4.21Å; Q404-V407 PolarHBondContact O-N 2.97Å; V407-I409 PolarHBondContact O-N 2.91Å |
| 408 | K | 83.2 | Confident | 85.6 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | trans | -69.5 | 128.4 | -177.2 | -172.1 | 171 | -171.6 | 165.3 | 0 | 111.5 | T387 S388 I410 E1415 | T387-K408 CarbonylContact C-O 3.59Å; T387-K408 WeakPolarHBondContact CA-O 3.29Å; S388-K408 PolarHBondContact N-O 2.75Å; S388-K408 PolarHBondContact OG-N 2.84Å; S388-K408 VanDerWaalsContact OG-N 3.1Å; S388-K408 PolarHBondContact OG-O 3.47Å; K408-I410 PolarHBondContact O-N 3.36Å; K408-E1415 PolarHBondContact NZ-O 3.39Å | ||
| 409 | I | 84.9 | Confident | 85.5 | Confident | 24 Ų | 24 | 55 Ų | 55 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.9 | 170.3 | -59.2 | 175.7 | 0 | 0 | 0 | 108.5 | V407 K412 | V407-I409 PolarHBondContact O-N 2.91Å; I409-K412 HydrophobicContact CG2-CG 3.77Å |
| 410 | I | 84.5 | Confident | 85.6 | Confident | 112 Ų | 112 | 55.2 Ų | 55.2 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -44.1 | 179.1 | -59.7 | 174.1 | 0 | 0 | 0 | 110.3 | A386 K408 | A386-I410 WeakPolarHBondContact O-CB 3.24Å; A386-I410 PolarHBondContact O-N 3.27Å; K408-I410 PolarHBondContact O-N 3.36Å |
| 411 | Q | 85.2 | Confident | 85.7 | Confident | 89 Ų | 89 | 55.7 Ų | 55.7 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 134.2 | -174.8 | -170.8 | 176.8 | 9.3 | 0 | 0 | 111.5 | F384 Y385 A386 | F384-Q411 HydrophobicContact CE2-CG 4.26Å; F384-Q411 HydrophobicContact CZ-CG 4.45Å; Y385-Q411 WeakPolarHBondContact CA-O 3.09Å; A386-Q411 HydrophobicContact CB-CB 4.37Å; A386-Q411 PolarHBondContact N-O 2.84Å; A386-Q411 VanDerWaalsContact N-O 3.08Å; A386-Q411 PolarHBondContact O-N 2.91Å |
| 412 | K | 86.4 | Confident | 85.8 | Confident | 24 Ų | 24 | 55 Ų | 55 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 112.9 | 164.8 | -63.2 | -164.4 | 165.8 | -175 | 0 | 109.3 | Y385 I409 D1390 F1417 N1422 | Y385-K412 HydrophobicContact CD1-CB 4.34Å; Y385-K412 HydrophobicContact CD1-CD 4.27Å; Y385-K412 HydrophobicContact CD1-CG 3.79Å; Y385-K412 HydrophobicContact CE1-CB 4.4Å; Y385-K412 HydrophobicContact CE1-CD 3.84Å; Y385-K412 HydrophobicContact CE1-CG 3.86Å; I409-K412 HydrophobicContact CG2-CG 3.77Å; K412-D1390 IonicContact NZ-OD2 3.46Å; K412-D1390 PolarHBondContact NZ-OD2 2.91Å; K412-F1417 HydrophobicContact CD-CZ 4.4Å; K412-F1417 HydrophobicContact CG-CE2 4.4Å; K412-N1422 HydrophobicContact CB-CB 4.5Å; K412-N1422 PolarHBondContact N-OD1 3.28Å; K412-N1422 PolarHBondContact O-OD1 3.16Å |
| 413 | G | 86.4 | Confident | 86.2 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 12% | 0.124 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R383 F384 | R383-G413 WeakPolarHBondContact CA-O 3.19Å; F384-G413 VanDerWaalsContact CE1-CA 3.48Å; F384-G413 PolarHBondContact N-O 2.84Å; F384-G413 PolarHBondContact O-N 3.41Å |
| 414 | R | 89 | Confident | 86.6 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 156.7 | 169.8 | 72.3 | -178.1 | -176 | -106.7 | 11.8 | 110.3 | A382 L1423 A1444 A1445 E1446 | A382-R414 CarbonylContact O-C 3.38Å; A382-R414 WeakPolarHBondContact O-CA 3.32Å; A382-R414 WeakPolarHBondContact O-CB 3.25Å; R414-L1423 HydrophobicContact CB-CD1 3.46Å; R414-L1423 VanDerWaalsContact CB-CD1 3.46Å; R414-L1423 HydrophobicContact CG-CD1 3.5Å; R414-A1444 PolarHBondContact NH1-O 3.18Å; R414-A1445 VanDerWaalsContact CZ-CA 3.44Å; R414-A1445 VanDerWaalsContact NH1-CA 3.29Å; R414-E1446 IonicContact CZ-OE1 3.93Å; R414-E1446 VanDerWaalsContact CZ-OE1 3.25Å; R414-E1446 IonicContact CZ-OE2 3.41Å; R414-E1446 IonicContact NE-OE1 3.4Å; R414-E1446 PolarHBondContact NE-OE1 3.44Å; R414-E1446 IonicContact NH2-OE1 2.92Å; R414-E1446 PolarHBondContact NH2-OE1 2.93Å; R414-E1446 IonicContact NH2-OE2 3.73Å; R414-E1446 PolarHBondContact NH2-OE2 3.44Å |
| 415 | L | 88.7 | Confident | 87.1 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -73.7 | 145.4 | 161.1 | -83.6 | 70.3 | 0 | 0 | 0 | 109.9 | A372 L374 A382 L421 | A372-L415 HydrophobicContact CB-CD2 3.88Å; A372-L415 WeakPolarHBondContact O-CD2 3.32Å; L374-L415 HydrophobicContact CD1-CB 3.61Å; L374-L415 WeakPolarHBondContact CD1-O 3.02Å; L374-L415 HydrophobicContact CG-CB 3.79Å; L374-L415 HydrophobicContact CG-CD2 4.11Å; A382-L415 HydrophobicContact CB-CB 4.08Å; A382-L415 HydrophobicContact CB-CD1 4.06Å; A382-L415 HydrophobicContact CB-CD2 4.49Å; A382-L415 HydrophobicContact CB-CG 4.45Å; A382-L415 PolarHBondContact O-N 3.42Å; L415-L421 HydrophobicContact CD1-CB 3.46Å; L415-L421 VanDerWaalsContact CD1-CB 3.46Å; L415-L421 HydrophobicContact CD1-CD2 3.88Å; L415-L421 HydrophobicContact CD1-CG 4.23Å; L415-L421 HydrophobicContact CD2-CB 4.4Å; L415-L421 HydrophobicContact CG-CB 4Å |
| 416 | K | 87.1 | Confident | 87.9 | Confident | 95 Ų | 95 | 44 Ų | 44 | 41% | 0.413 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -103.6 | 161.4 | 170.8 | -60.3 | 179.2 | -177.4 | 178.6 | 0 | 108.9 | G418 R419 | K416-G418 PolarHBondContact O-N 3.21Å; K416-R419 HydrophobicContact CB-CB 4.32Å; K416-R419 HydrophobicContact CB-CG 4.18Å; K416-R419 PolarHBondContact O-N 3.11Å |
| 417 | A | 86.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 124.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | D375 R419 | D375-A417 WeakPolarHBondContact O-CA 3.42Å; A417-R419 PolarHBondContact O-N 3.28Å |
| 418 | G | 86.3 | Confident | 88.6 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 7.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | E326 L374 D375 K416 K437 | E326-G418 VanDerWaalsContact CG-O 3.3Å; E326-G418 WeakPolarHBondContact CG-O 3.42Å; L374-G418 WeakPolarHBondContact O-CA 3.28Å; L374-G418 PolarHBondContact O-N 2.82Å; D375-G418 PolarHBondContact O-N 2.97Å; K416-G418 PolarHBondContact O-N 3.21Å; G418-K437 PolarHBondContact O-NZ 2.95Å |
| 419 | R | 87.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 41.4 Ų | 41.4 | 23% | 0.23 | 21% | 0.212 | C | C | . | . | trans | -95.5 | 144.3 | 179.1 | -65.7 | -154.4 | 175.6 | -119.5 | 3.7 | 113.1 | K416 A417 D433 E434 | K416-R419 HydrophobicContact CB-CB 4.32Å; K416-R419 HydrophobicContact CB-CG 4.18Å; K416-R419 PolarHBondContact O-N 3.11Å; A417-R419 PolarHBondContact O-N 3.28Å; R419-D433 VanDerWaalsContact CD-OD2 3.29Å; R419-D433 WeakPolarHBondContact CD-OD2 3.2Å; R419-D433 WeakPolarHBondContact CG-OD2 3.44Å; R419-D433 IonicContact CZ-OD2 3.14Å; R419-D433 IonicContact NE-OD2 3.72Å; R419-D433 IonicContact NH1-OD2 2.85Å; R419-D433 PolarHBondContact NH1-OD2 3.4Å; R419-E434 IonicContact CZ-OE1 2.86Å; R419-E434 IonicContact NH1-OE1 3.62Å; R419-E434 PolarHBondContact NH1-OE1 3.04Å; R419-E434 IonicContact NH2-OE1 3.57Å; R419-E434 PolarHBondContact NH2-OE1 3.03Å | ||
| 420 | L | 90.6 | Very high | 89.1 | Confident | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.2 | 179 | -73.2 | 159.1 | 0 | 0 | 0 | 110.5 | V320 M321 F364 A372 I373 D433 L436 | V320-L420 HydrophobicContact CG1-CD2 4.37Å; M321-L420 HydrophobicContact CG-CD1 3.85Å; M321-L420 HydrophobicContact SD-CD1 3.96Å; F364-L420 HydrophobicContact CE1-CD2 4.07Å; F364-L420 HydrophobicContact CZ-CD2 3.59Å; A372-L420 WeakPolarHBondContact O-CA 3.3Å; I373-L420 HydrophobicContact CB-CD2 3.96Å; I373-L420 HydrophobicContact CD1-CD2 4.01Å; I373-L420 HydrophobicContact CD1-CG 4.19Å; I373-L420 HydrophobicContact CG1-CD2 4.23Å; L420-D433 WeakPolarHBondContact CB-OD1 3.2Å; L420-D433 PolarHBondContact N-OD1 2.64Å; L420-L436 HydrophobicContact CD1-CD2 4.27Å |
| 421 | L | 92.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.3 | 155.9 | 179.2 | 75.9 | 0 | 0 | 0 | 106.5 | F28 G371 A372 F384 M394 L415 L430 | F28-L421 HydrophobicContact CE1-CD2 4.29Å; F28-L421 HydrophobicContact CZ-CD2 3.94Å; G371-L421 CarbonylContact C-O 3.47Å; G371-L421 WeakPolarHBondContact CA-O 3.07Å; A372-L421 PolarHBondContact N-O 3.05Å; A372-L421 PolarHBondContact O-N 3.44Å; F384-L421 HydrophobicContact CB-CD2 3.84Å; F384-L421 HydrophobicContact CD1-CD1 3.88Å; F384-L421 HydrophobicContact CD1-CD2 4.02Å; F384-L421 HydrophobicContact CD2-CD1 4.15Å; F384-L421 HydrophobicContact CE1-CD1 3.84Å; F384-L421 HydrophobicContact CE2-CD1 4.14Å; F384-L421 HydrophobicContact CG-CD1 4.03Å; F384-L421 HydrophobicContact CG-CD2 3.91Å; F384-L421 HydrophobicContact CZ-CD1 3.98Å; M394-L421 HydrophobicContact CB-CD2 4.11Å; M394-L421 HydrophobicContact CG-CD2 3.74Å; L415-L421 HydrophobicContact CD1-CB 3.46Å; L415-L421 VanDerWaalsContact CD1-CB 3.46Å; L415-L421 HydrophobicContact CD1-CD2 3.88Å; L415-L421 HydrophobicContact CD1-CG 4.23Å; L415-L421 HydrophobicContact CD2-CB 4.4Å; L415-L421 HydrophobicContact CG-CB 4Å; L421-L430 HydrophobicContact CD1-CD1 3.7Å; L421-L430 HydrophobicContact CD1-CD2 4.37Å; L421-L430 HydrophobicContact CG-CD1 4.29Å |
| 422 | I | 93.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 130.1 | -175.1 | -167.9 | 173.9 | 0 | 0 | 0 | 112.1 | P317 F364 Y369 I370 L431 L436 | P317-I422 HydrophobicContact CB-CD1 4.09Å; P317-I422 HydrophobicContact CG-CD1 3.42Å; P317-I422 VanDerWaalsContact CG-CD1 3.42Å; F364-I422 HydrophobicContact CE2-CD1 4.48Å; Y369-I422 HydrophobicContact CD1-CD1 3.74Å; Y369-I422 HydrophobicContact CD1-CG1 4.09Å; Y369-I422 HydrophobicContact CE1-CD1 4.46Å; Y369-I422 HydrophobicContact CG-CD1 4.2Å; I370-I422 WeakPolarHBondContact O-CA 3.48Å; I422-L431 HydrophobicContact CG2-CB 3.75Å; I422-L431 HydrophobicContact CG2-CD1 4.07Å; I422-L431 HydrophobicContact CG2-CG 4.25Å; I422-L431 PolarHBondContact O-N 3.05Å; I422-L436 HydrophobicContact CD1-CD2 4.09Å; I422-L436 HydrophobicContact CG2-CD2 3.62Å |
| 423 | V | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.4 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | V30 T32 Y369 I370 V392 T425 L430 | V30-V423 HydrophobicContact CG1-CB 4.31Å; V30-V423 HydrophobicContact CG1-CG1 4.31Å; V30-V423 HydrophobicContact CG1-CG2 4.01Å; V30-V423 HydrophobicContact CG2-CG1 4.39Å; T32-V423 HydrophobicContact CG2-CG1 4.08Å; Y369-V423 WeakPolarHBondContact CA-O 3.31Å; I370-V423 HydrophobicContact CG2-CB 3.79Å; I370-V423 HydrophobicContact CG2-CG1 4.42Å; I370-V423 PolarHBondContact N-O 3.31Å; I370-V423 VanDerWaalsContact N-O 3.08Å; I370-V423 PolarHBondContact O-N 3.35Å; V392-V423 HydrophobicContact CB-CG2 4.41Å; V392-V423 HydrophobicContact CG2-CG2 4.25Å; V423-T425 HydrophobicContact CG1-CG2 4.3Å; V423-L430 HydrophobicContact CG2-CD1 3.59Å |
| 424 | D | 94 | Very high | 89.6 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 103.4 | 170.6 | -178.3 | -3.9 | 0 | 0 | 0 | 108.4 | R368 Y369 E426 S427 G428 Q429 L431 | R368-D424 IonicContact CZ-OD1 2.74Å; R368-D424 IonicContact CZ-OD2 3.23Å; R368-D424 IonicContact NE-OD1 3.46Å; R368-D424 PolarHBondContact NE-OD1 3.46Å; R368-D424 IonicContact NE-OD2 2.94Å; R368-D424 IonicContact NH2-OD1 2.72Å; R368-D424 PolarHBondContact NH2-OD1 2.95Å; R368-D424 IonicContact NH2-OD2 3.33Å; R368-D424 PolarHBondContact NH2-OD2 2.96Å; Y369-D424 HydrophobicContact CD1-CB 4.02Å; Y369-D424 HydrophobicContact CE1-CB 3.69Å; D424-E426 PolarHBondContact O-N 3.35Å; D424-E426 WeakPolarHBondContact OD1-CB 3.28Å; D424-E426 PolarHBondContact OD1-N 2.84Å; D424-E426 VanDerWaalsContact OD1-N 3.14Å; D424-S427 WeakPolarHBondContact CB-OG 3.47Å; D424-S427 PolarHBondContact O-N 3.31Å; D424-S427 PolarHBondContact O-OG 3.02Å; D424-G428 PolarHBondContact O-N 2.99Å; D424-Q429 PolarHBondContact N-O 3.18Å; D424-Q429 PolarHBondContact O-N 2.91Å; D424-L431 HydrophobicContact CB-CD1 4.02Å; D424-L431 HydrophobicContact CB-CD2 4.32Å; D424-L431 HydrophobicContact CB-CG 4.19Å |
| 425 | T | 92.6 | Very high | 89.6 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.8 | -174.6 | 63.7 | 0 | 0 | 0 | 0 | 113 | V30 T32 R368 V423 | V30-T425 HydrophobicContact CG2-CG2 3.9Å; T32-T425 WeakPolarHBondContact O-CA 3.11Å; R368-T425 WeakPolarHBondContact O-CG2 3.31Å; R368-T425 PolarHBondContact O-N 3.12Å; R368-T425 PolarHBondContact O-OG1 3.08Å; V423-T425 HydrophobicContact CG1-CG2 4.3Å |
| 426 | E | 89.7 | Confident | 89.7 | Confident | 140 Ų | 140 | 44 Ų | 44 | 65% | 0.654 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -40 | 176.2 | -166.2 | 178.5 | 158.3 | 0 | 0 | 111.1 | R368 D424 | R368-E426 VanDerWaalsContact CD-OE2 3.24Å; R368-E426 WeakPolarHBondContact CD-OE2 3.2Å; R368-E426 HydrophobicContact CG-CB 4.13Å; R368-E426 IonicContact CZ-OE2 3.1Å; R368-E426 IonicContact NE-OE2 2.99Å; R368-E426 PolarHBondContact NE-OE2 2.83Å; R368-E426 VanDerWaalsContact NE-OE2 3.16Å; R368-E426 IonicContact NH1-OE2 3.51Å; R368-E426 PolarHBondContact NH1-OE2 3.46Å; R368-E426 IonicContact NH2-OE2 3.95Å; D424-E426 PolarHBondContact O-N 3.35Å; D424-E426 WeakPolarHBondContact OD1-CB 3.28Å; D424-E426 PolarHBondContact OD1-N 2.84Å; D424-E426 VanDerWaalsContact OD1-N 3.14Å |
| 427 | S | 89.6 | Confident | 89.9 | Confident | 57 Ų | 57 | 39.5 Ų | 39.5 | 40% | 0.399 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -17.8 | 175.1 | 74 | 0 | 0 | 0 | 0 | 113.2 | D424 | D424-S427 WeakPolarHBondContact CB-OG 3.47Å; D424-S427 PolarHBondContact O-N 3.31Å; D424-S427 PolarHBondContact O-OG 3.02Å |
| 428 | G | 89.6 | Confident | 90.2 | Very high | 22 Ų | 22 | 41 Ų | 41 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 16.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | T32 D424 | T32-G428 CarbonylContact O-C 3.53Å; T32-G428 WeakPolarHBondContact O-CA 3.1Å; D424-G428 PolarHBondContact O-N 2.99Å |
| 429 | Q | 88.4 | Confident | 90.5 | Very high | 122 Ų | 122 | 48.6 Ų | 48.6 | 57% | 0.57 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.2 | -165.5 | -63.9 | -176 | -3.1 | 0 | 0 | 113.5 | D424 | D424-Q429 PolarHBondContact N-O 3.18Å; D424-Q429 PolarHBondContact O-N 2.91Å |
| 430 | L | 89.2 | Confident | 90.8 | Very high | 56 Ų | 56 | 46.2 Ų | 46.2 | 29% | 0.293 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 113.6 | 161.1 | -178.5 | 69.2 | 0 | 0 | 0 | 107.9 | F384 L421 V423 | F384-L430 HydrophobicContact CE2-CD2 4.33Å; L421-L430 HydrophobicContact CD1-CD1 3.7Å; L421-L430 HydrophobicContact CD1-CD2 4.37Å; L421-L430 HydrophobicContact CG-CD1 4.29Å; V423-L430 HydrophobicContact CG2-CD1 3.59Å |
| 431 | L | 89.7 | Confident | 91 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 142.2 | -175.3 | -54.4 | 179.7 | 0 | 0 | 0 | 111.1 | Y369 I422 D424 L436 | Y369-L431 HydrophobicContact CE1-CD1 4.27Å; I422-L431 HydrophobicContact CG2-CB 3.75Å; I422-L431 HydrophobicContact CG2-CD1 4.07Å; I422-L431 HydrophobicContact CG2-CG 4.25Å; I422-L431 PolarHBondContact O-N 3.05Å; D424-L431 HydrophobicContact CB-CD1 4.02Å; D424-L431 HydrophobicContact CB-CD2 4.32Å; D424-L431 HydrophobicContact CB-CG 4.19Å; L431-L436 HydrophobicContact CD1-CD1 4.43Å; L431-L436 HydrophobicContact CD1-CD2 4.47Å |
| 432 | D | 88.2 | Confident | 91.1 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | trans | -74.6 | 127.7 | 171.2 | 174 | 74.2 | 0 | 0 | 0 | 111 | E434 S435 L436 | D432-E434 PolarHBondContact O-N 3.08Å; D432-E434 WeakPolarHBondContact OD2-CB 3.44Å; D432-E434 PolarHBondContact OD2-N 2.81Å; D432-S435 PolarHBondContact O-N 3.48Å; D432-S435 PolarHBondContact O-OG 3.12Å; D432-S435 PolarHBondContact OD2-N 3.33Å; D432-L436 PolarHBondContact O-N 3.29Å | ||
| 433 | D | 88.4 | Confident | 91.1 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.6 | -44.5 | -177.1 | 173.3 | 74.3 | 0 | 0 | 0 | 112.6 | R419 L420 K437 | R419-D433 VanDerWaalsContact CD-OD2 3.29Å; R419-D433 WeakPolarHBondContact CD-OD2 3.2Å; R419-D433 WeakPolarHBondContact CG-OD2 3.44Å; R419-D433 IonicContact CZ-OD2 3.14Å; R419-D433 IonicContact NE-OD2 3.72Å; R419-D433 IonicContact NH1-OD2 2.85Å; R419-D433 PolarHBondContact NH1-OD2 3.4Å; L420-D433 WeakPolarHBondContact CB-OD1 3.2Å; L420-D433 PolarHBondContact N-OD1 2.64Å; D433-K437 WeakPolarHBondContact O-CB 3.06Å; D433-K437 VanDerWaalsContact O-CG 3.26Å; D433-K437 WeakPolarHBondContact O-CG 3.34Å; D433-K437 PolarHBondContact O-N 3.15Å; D433-K437 WeakPolarHBondContact OD1-CE 3.45Å; D433-K437 IonicContact OD1-NZ 3.55Å; D433-K437 PolarHBondContact OD1-NZ 3.2Å; D433-K437 IonicContact OD2-NZ 3.79Å; D433-K437 PolarHBondContact OD2-NZ 3.17Å |
| 434 | E | 87.9 | Confident | 91.1 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 179.4 | -76.5 | -63 | 158.4 | 0 | 0 | 111.3 | K342 R419 D432 L436 K437 S438 | K342-E434 IonicContact NZ-OE1 2.81Å; K342-E434 PolarHBondContact NZ-OE1 3.48Å; K342-E434 IonicContact NZ-OE2 3.73Å; K342-E434 PolarHBondContact NZ-OE2 3.01Å; R419-E434 IonicContact CZ-OE1 2.86Å; R419-E434 IonicContact NH1-OE1 3.62Å; R419-E434 PolarHBondContact NH1-OE1 3.04Å; R419-E434 IonicContact NH2-OE1 3.57Å; R419-E434 PolarHBondContact NH2-OE1 3.03Å; D432-E434 PolarHBondContact O-N 3.08Å; D432-E434 WeakPolarHBondContact OD2-CB 3.44Å; D432-E434 PolarHBondContact OD2-N 2.81Å; E434-L436 PolarHBondContact O-N 2.93Å; E434-K437 PolarHBondContact O-N 2.83Å; E434-S438 WeakPolarHBondContact O-CB 3.48Å; E434-S438 PolarHBondContact O-N 3.42Å |
| 435 | S | 89.2 | Confident | 91.1 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 179 | 82.4 | 0 | 0 | 0 | 0 | 112.1 | D432 S438 K439 | D432-S435 PolarHBondContact O-N 3.48Å; D432-S435 PolarHBondContact O-OG 3.12Å; D432-S435 PolarHBondContact OD2-N 3.33Å; S435-S438 PolarHBondContact O-N 2.85Å; S435-K439 WeakPolarHBondContact O-CB 3.38Å; S435-K439 PolarHBondContact O-N 3.24Å |
| 436 | L | 90.2 | Very high | 91.2 | Very high | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.7 | -48.7 | -179.7 | 176.4 | 62.8 | 0 | 0 | 0 | 110.9 | P317 L420 I422 L431 D432 E434 S438 K439 I440 | P317-L436 HydrophobicContact CB-CD2 4.15Å; L420-L436 HydrophobicContact CD1-CD2 4.27Å; I422-L436 HydrophobicContact CD1-CD2 4.09Å; I422-L436 HydrophobicContact CG2-CD2 3.62Å; L431-L436 HydrophobicContact CD1-CD1 4.43Å; L431-L436 HydrophobicContact CD1-CD2 4.47Å; D432-L436 PolarHBondContact O-N 3.29Å; E434-L436 PolarHBondContact O-N 2.93Å; L436-S438 VanDerWaalsContact C-N 3.29Å; L436-S438 PolarHBondContact O-N 3.36Å; L436-K439 WeakPolarHBondContact O-CB 3.49Å; L436-K439 PolarHBondContact O-N 3.34Å; L436-I440 HydrophobicContact CD1-CD1 4.19Å; L436-I440 HydrophobicContact CG-CD1 4.17Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 3.3Å |
| 437 | K | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 55 Ų | 55 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 178.6 | -73.1 | 178.5 | 170.3 | 161.1 | 0 | 111.6 | M321 E326 K342 G418 D433 E434 I440 A441 | M321-K437 HydrophobicContact CE-CB 4.13Å; M321-K437 HydrophobicContact CE-CD 4.37Å; M321-K437 HydrophobicContact CE-CG 3.67Å; M321-K437 HydrophobicContact SD-CG 3.79Å; E326-K437 WeakPolarHBondContact OE1-CD 3.35Å; E326-K437 VanDerWaalsContact OE1-CE 3.32Å; E326-K437 WeakPolarHBondContact OE1-CE 3.47Å; E326-K437 IonicContact OE1-NZ 3.86Å; E326-K437 PolarHBondContact OE1-NZ 2.68Å; K342-K437 HydrophobicContact CD-CB 4.32Å; K342-K437 HydrophobicContact CD-CD 4.37Å; G418-K437 PolarHBondContact O-NZ 2.95Å; D433-K437 WeakPolarHBondContact O-CB 3.06Å; D433-K437 VanDerWaalsContact O-CG 3.26Å; D433-K437 WeakPolarHBondContact O-CG 3.34Å; D433-K437 PolarHBondContact O-N 3.15Å; D433-K437 WeakPolarHBondContact OD1-CE 3.45Å; D433-K437 IonicContact OD1-NZ 3.55Å; D433-K437 PolarHBondContact OD1-NZ 3.2Å; D433-K437 IonicContact OD2-NZ 3.79Å; D433-K437 PolarHBondContact OD2-NZ 3.17Å; E434-K437 PolarHBondContact O-N 2.83Å; K437-I440 PolarHBondContact O-N 3.21Å; K437-A441 WeakPolarHBondContact O-CB 3.32Å; K437-A441 PolarHBondContact O-N 3.12Å |
| 438 | S | 92.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 175.7 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | E434 S435 L436 I440 A441 T442 | E434-S438 WeakPolarHBondContact O-CB 3.48Å; E434-S438 PolarHBondContact O-N 3.42Å; S435-S438 PolarHBondContact O-N 2.85Å; L436-S438 VanDerWaalsContact C-N 3.29Å; L436-S438 PolarHBondContact O-N 3.36Å; S438-I440 VanDerWaalsContact C-N 3.34Å; S438-I440 PolarHBondContact O-N 2.66Å; S438-A441 PolarHBondContact O-N 2.98Å; S438-T442 WeakPolarHBondContact O-CB 3.42Å; S438-T442 WeakPolarHBondContact O-CG2 3.28Å; S438-T442 PolarHBondContact O-N 3.04Å; S438-T442 PolarHBondContact O-OG1 3.01Å |
| 439 | K | 92.8 | Very high | 91.6 | Very high | 163 Ų | 163 | 55.9 Ų | 55.9 | 71% | 0.709 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 174.9 | -169.4 | 177.9 | -179.5 | -179.8 | 0 | 112.4 | S435 L436 T442 K443 | S435-K439 WeakPolarHBondContact O-CB 3.38Å; S435-K439 PolarHBondContact O-N 3.24Å; L436-K439 WeakPolarHBondContact O-CB 3.49Å; L436-K439 PolarHBondContact O-N 3.34Å; K439-T442 PolarHBondContact O-OG1 2.6Å; K439-K443 PolarHBondContact O-N 3.34Å |
| 440 | I | 93.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.056 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.6 | -44.8 | 175.2 | -68.4 | 168.5 | 0 | 0 | 0 | 110.7 | P317 E318 M321 Y345 L436 K437 S438 T442 K443 | P317-I440 HydrophobicContact CB-CD1 4.26Å; E318-I440 HydrophobicContact CB-CD1 4.29Å; E318-I440 HydrophobicContact CB-CG2 4.34Å; E318-I440 HydrophobicContact CG-CG2 3.81Å; M321-I440 HydrophobicContact CE-CB 4.48Å; M321-I440 HydrophobicContact CE-CD1 4.46Å; M321-I440 HydrophobicContact CE-CG2 4.2Å; M321-I440 HydrophobicContact SD-CD1 3.57Å; M321-I440 VanDerWaalsContact SD-CD1 3.57Å; Y345-I440 HydrophobicContact CD2-CG2 4.28Å; Y345-I440 HydrophobicContact CE2-CG2 3.72Å; L436-I440 HydrophobicContact CD1-CD1 4.19Å; L436-I440 HydrophobicContact CG-CD1 4.17Å; L436-I440 WeakPolarHBondContact O-CG1 3.42Å; L436-I440 PolarHBondContact O-N 3.3Å; K437-I440 PolarHBondContact O-N 3.21Å; S438-I440 VanDerWaalsContact C-N 3.34Å; S438-I440 PolarHBondContact O-N 2.66Å; I440-T442 PolarHBondContact O-N 3.18Å; I440-K443 VanDerWaalsContact O-CB 3.23Å; I440-K443 WeakPolarHBondContact O-CB 3.38Å; I440-K443 PolarHBondContact O-N 2.62Å |
| 441 | A | 93.7 | Very high | 91.6 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -16.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E341 K342 Y345 K437 S438 Y446 | E341-A441 HydrophobicContact CB-CB 4.33Å; K342-A441 HydrophobicContact CB-CB 4.44Å; Y345-A441 HydrophobicContact CG-CB 4.41Å; K437-A441 WeakPolarHBondContact O-CB 3.32Å; K437-A441 PolarHBondContact O-N 3.12Å; S438-A441 PolarHBondContact O-N 2.98Å; A441-Y446 VanDerWaalsContact O-CD2 3.22Å; A441-Y446 WeakPolarHBondContact O-CD2 3.35Å; A441-Y446 WeakPolarHBondContact O-CE2 3.49Å |
| 442 | T | 94.6 | Very high | 91.3 | Very high | 82 Ų | 82 | 58 Ų | 58 | 50% | 0.503 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 0.3 | 176.8 | 53 | 0 | 0 | 0 | 0 | 113.5 | E341 S438 K439 I440 H444 | E341-T442 HydrophobicContact CB-CG2 4.26Å; E341-T442 HydrophobicContact CG-CG2 4.09Å; S438-T442 WeakPolarHBondContact O-CB 3.42Å; S438-T442 WeakPolarHBondContact O-CG2 3.28Å; S438-T442 PolarHBondContact O-N 3.04Å; S438-T442 PolarHBondContact O-OG1 3.01Å; K439-T442 PolarHBondContact O-OG1 2.6Å; I440-T442 PolarHBondContact O-N 3.18Å; T442-H444 PolarHBondContact O-N 3.06Å |
| 443 | K | 93.9 | Very high | 91.1 | Very high | 91 Ų | 91 | 53.4 Ų | 53.4 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -59.7 | -32.6 | 179.9 | -174.2 | -177.7 | 172.5 | -166.2 | 0 | 113 | D313 E318 K439 I440 | D313-K443 PolarHBondContact O-NZ 3.44Å; E318-K443 VanDerWaalsContact CD-NZ 3.33Å; E318-K443 IonicContact OE1-NZ 3.38Å; E318-K443 PolarHBondContact OE1-NZ 3.11Å; E318-K443 VanDerWaalsContact OE1-NZ 3.08Å; E318-K443 IonicContact OE2-NZ 3.44Å; E318-K443 PolarHBondContact OE2-NZ 2.77Å; K439-K443 PolarHBondContact O-N 3.34Å; I440-K443 VanDerWaalsContact O-CB 3.23Å; I440-K443 WeakPolarHBondContact O-CB 3.38Å; I440-K443 PolarHBondContact O-N 2.62Å |
| 444 | H | 94.1 | Very high | 91.1 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -135 | 156.8 | 178.3 | -61.8 | -54.6 | 0 | 0 | 0 | 110.3 | T442 Y446 W449 | T442-H444 PolarHBondContact O-N 3.06Å; H444-Y446 HydrophobicContact CB-CD1 4.28Å; H444-Y446 HydrophobicContact CB-CD2 4.47Å; H444-Y446 HydrophobicContact CB-CE1 3.84Å; H444-Y446 HydrophobicContact CB-CE2 4.06Å; H444-Y446 AromaticContact CD2-CZ 3.95Å; H444-Y446 PolarHBondContact CD2-OH 3.42Å; H444-Y446 WeakPolarHBondContact O-CD2 3.37Å; H444-Y446 PolarHBondContact O-N 3.11Å; H444-W449 HydrophobicContact CB-CH2 3.55Å; H444-W449 HydrophobicContact CB-CZ2 4.12Å; H444-W449 HydrophobicContact CB-CZ3 3.86Å; H444-W449 AromaticContact CG-CH2 3.76Å |
| 445 | P | 94.1 | Very high | 91.2 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 41% | 0.409 | 26% | 0.262 | S | S | . | . | trans | -79.1 | 66.6 | -179.8 | 33.4 | -35.5 | 0 | 0 | 0 | 111.4 | D447 V448 W449 | P445-D447 PolarHBondContact O-N 3.28Å; P445-V448 HydrophobicContact CB-CB 4.35Å; P445-V448 HydrophobicContact CB-CG2 4.26Å; P445-V448 PolarHBondContact O-N 3.49Å; P445-W449 HydrophobicContact CG-CZ2 4.33Å; P445-W449 PolarHBondContact O-N 3Å; P445-W449 VanDerWaalsContact O-N 3.16Å | ||
| 446 | Y | 94.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.4 | -30.3 | -175.8 | -59.1 | -68.3 | 0 | 0 | 0 | 113.2 | Y345 W348 A441 H444 W449 L450 | Y345-Y446 HydrophobicContact CD2-CD2 4.3Å; Y345-Y446 HydrophobicContact CD2-CE1 4.37Å; Y345-Y446 AromaticContact CD2-CE2 3.65Å; Y345-Y446 HydrophobicContact CD2-CE2 3.65Å; Y345-Y446 AromaticContact CD2-CZ 3.67Å; W348-Y446 HydrophobicContact CB-CD1 3.84Å; W348-Y446 HydrophobicContact CB-CG 4.4Å; W348-Y446 AromaticContact CD1-CD1 3.98Å; W348-Y446 AromaticContact CD2-CD1 3.49Å; W348-Y446 HydrophobicContact CD2-CD1 3.49Å; W348-Y446 VanDerWaalsContact CD2-CD1 3.49Å; W348-Y446 AromaticContact CD2-CE1 3.34Å; W348-Y446 HydrophobicContact CD2-CE1 3.34Å; W348-Y446 AromaticContact CE2-CE1 3.72Å; W348-Y446 AromaticContact CE3-CD1 3.83Å; W348-Y446 HydrophobicContact CE3-CD1 3.83Å; W348-Y446 AromaticContact CE3-CE1 3.34Å; W348-Y446 HydrophobicContact CE3-CE1 3.34Å; W348-Y446 AromaticContact CG-CD1 3.47Å; W348-Y446 HydrophobicContact CG-CD1 3.47Å; W348-Y446 VanDerWaalsContact CG-CD1 3.47Å; W348-Y446 AromaticContact CG-CE1 3.89Å; W348-Y446 HydrophobicContact CG-CE1 3.89Å; W348-Y446 HydrophobicContact CG-CG 4.46Å; W348-Y446 HydrophobicContact CH2-CE1 4.05Å; W348-Y446 HydrophobicContact CZ2-CE1 4.07Å; W348-Y446 AromaticContact CZ3-CE1 3.71Å; W348-Y446 HydrophobicContact CZ3-CE1 3.71Å; A441-Y446 VanDerWaalsContact O-CD2 3.22Å; A441-Y446 WeakPolarHBondContact O-CD2 3.35Å; A441-Y446 WeakPolarHBondContact O-CE2 3.49Å; H444-Y446 HydrophobicContact CB-CD1 4.28Å; H444-Y446 HydrophobicContact CB-CD2 4.47Å; H444-Y446 HydrophobicContact CB-CE1 3.84Å; H444-Y446 HydrophobicContact CB-CE2 4.06Å; H444-Y446 AromaticContact CD2-CZ 3.95Å; H444-Y446 PolarHBondContact CD2-OH 3.42Å; H444-Y446 WeakPolarHBondContact O-CD2 3.37Å; H444-Y446 PolarHBondContact O-N 3.11Å; Y446-W449 AromaticContact CD1-CE3 3.87Å; Y446-W449 HydrophobicContact CD1-CE3 3.87Å; Y446-W449 AromaticContact CD1-CZ3 3.97Å; Y446-W449 HydrophobicContact CD1-CZ3 3.97Å; Y446-W449 HydrophobicContact CE1-CE3 4.32Å; Y446-W449 AromaticContact CE1-CZ3 3.95Å; Y446-W449 HydrophobicContact CE1-CZ3 3.95Å; Y446-W449 PolarHBondContact O-N 3.32Å; Y446-L450 WeakPolarHBondContact O-CB 3.35Å; Y446-L450 VanDerWaalsContact O-CG 3.29Å; Y446-L450 WeakPolarHBondContact O-CG 3.4Å; Y446-L450 PolarHBondContact O-N 3.02Å |
| 447 | D | 92.2 | Very high | 91.2 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177.5 | 70.6 | -46.1 | 0 | 0 | 0 | 111.8 | N344 P445 L450 K451 | N344-D447 VanDerWaalsContact ND2-CB 3.29Å; N344-D447 WeakPolarHBondContact ND2-CB 3.32Å; P445-D447 PolarHBondContact O-N 3.28Å; D447-L450 PolarHBondContact O-N 3.31Å; D447-K451 WeakPolarHBondContact O-CB 3.38Å; D447-K451 PolarHBondContact O-N 2.79Å |
| 448 | V | 91.8 | Very high | 91 | Very high | 59 Ų | 59 | 53.6 Ų | 53.6 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 175.6 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | P445 L450 K451 E452 | P445-V448 HydrophobicContact CB-CB 4.35Å; P445-V448 HydrophobicContact CB-CG2 4.26Å; P445-V448 PolarHBondContact O-N 3.49Å; V448-L450 VanDerWaalsContact C-N 3.31Å; V448-L450 PolarHBondContact O-N 3.47Å; V448-K451 PolarHBondContact O-N 3.31Å; V448-E452 HydrophobicContact CG1-CG 4.44Å; V448-E452 WeakPolarHBondContact CG1-OE1 3.25Å; V448-E452 WeakPolarHBondContact O-CB 3.32Å; V448-E452 WeakPolarHBondContact O-CG 3.45Å; V448-E452 PolarHBondContact O-N 2.98Å |
| 449 | W | 92.9 | Very high | 90.8 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | -179.3 | -64.6 | -5.4 | 0 | 0 | 0 | 112.8 | W348 H444 P445 Y446 G453 P571 R573 T576 | W348-W449 AromaticContact NE1-CE3 3.87Å; W348-W449 AromaticContact NE1-CZ3 3.99Å; H444-W449 HydrophobicContact CB-CH2 3.55Å; H444-W449 HydrophobicContact CB-CZ2 4.12Å; H444-W449 HydrophobicContact CB-CZ3 3.86Å; H444-W449 AromaticContact CG-CH2 3.76Å; P445-W449 HydrophobicContact CG-CZ2 4.33Å; P445-W449 PolarHBondContact O-N 3Å; P445-W449 VanDerWaalsContact O-N 3.16Å; Y446-W449 AromaticContact CD1-CE3 3.87Å; Y446-W449 HydrophobicContact CD1-CE3 3.87Å; Y446-W449 AromaticContact CD1-CZ3 3.97Å; Y446-W449 HydrophobicContact CD1-CZ3 3.97Å; Y446-W449 HydrophobicContact CE1-CE3 4.32Å; Y446-W449 AromaticContact CE1-CZ3 3.95Å; Y446-W449 HydrophobicContact CE1-CZ3 3.95Å; Y446-W449 PolarHBondContact O-N 3.32Å; W449-G453 PolarHBondContact O-N 3.16Å; W449-G453 VanDerWaalsContact O-N 3.13Å; W449-P571 HydrophobicContact CZ3-CB 4.49Å; W449-R573 HydrophobicContact CB-CB 4.32Å; W449-R573 HydrophobicContact CD2-CB 4.16Å; W449-R573 HydrophobicContact CG-CB 3.82Å; W449-T576 HydrophobicContact CB-CG2 3.93Å; W449-T576 WeakPolarHBondContact O-CB 3.37Å; W449-T576 PolarHBondContact O-OG1 3.41Å |
| 450 | L | 91 | Very high | 90.5 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.2 | -46.4 | 178.7 | -77.3 | 171.2 | 0 | 0 | 0 | 112.1 | N344 K347 W348 Y446 D447 V448 E452 G453 A454 T576 | N344-L450 HydrophobicContact CB-CD1 3.93Å; N344-L450 VanDerWaalsContact O-CD1 3.24Å; N344-L450 WeakPolarHBondContact O-CD1 3.46Å; K347-L450 HydrophobicContact CB-CD1 3.93Å; K347-L450 HydrophobicContact CB-CD2 4.43Å; K347-L450 HydrophobicContact CD-CD1 4.32Å; K347-L450 HydrophobicContact CD-CD2 4.34Å; K347-L450 HydrophobicContact CG-CD1 4.15Å; K347-L450 HydrophobicContact CG-CD2 3.92Å; W348-L450 HydrophobicContact CB-CD1 4.49Å; W348-L450 HydrophobicContact CB-CD2 4.47Å; W348-L450 HydrophobicContact CB-CG 4.47Å; Y446-L450 WeakPolarHBondContact O-CB 3.35Å; Y446-L450 VanDerWaalsContact O-CG 3.29Å; Y446-L450 WeakPolarHBondContact O-CG 3.4Å; Y446-L450 PolarHBondContact O-N 3.02Å; D447-L450 PolarHBondContact O-N 3.31Å; V448-L450 VanDerWaalsContact C-N 3.31Å; V448-L450 PolarHBondContact O-N 3.47Å; L450-E452 VanDerWaalsContact C-N 3.27Å; L450-E452 PolarHBondContact O-N 3.08Å; L450-G453 PolarHBondContact O-N 3.1Å; L450-A454 HydrophobicContact CD2-CB 4.04Å; L450-A454 PolarHBondContact O-N 3.02Å; L450-T576 HydrophobicContact CD2-CG2 3.96Å; L450-T576 HydrophobicContact CG-CG2 4.35Å |
| 451 | K | 86.8 | Confident | 90.1 | Very high | 179 Ų | 179 | 49.3 Ų | 49.3 | 78% | 0.778 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.5 | -36 | 177.7 | -85.8 | -178.1 | 174.6 | 175.9 | 0 | 112.9 | D447 V448 | D447-K451 WeakPolarHBondContact O-CB 3.38Å; D447-K451 PolarHBondContact O-N 2.79Å; V448-K451 PolarHBondContact O-N 3.31Å |
| 452 | E | 82.8 | Confident | 89.6 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 33% | 0.332 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -79.3 | -31 | -179.9 | -72.3 | -178.4 | 179.7 | 0 | 0 | 113.1 | V448 L450 R573 T611 S612 | V448-E452 HydrophobicContact CG1-CG 4.44Å; V448-E452 WeakPolarHBondContact CG1-OE1 3.25Å; V448-E452 WeakPolarHBondContact O-CB 3.32Å; V448-E452 WeakPolarHBondContact O-CG 3.45Å; V448-E452 PolarHBondContact O-N 2.98Å; L450-E452 VanDerWaalsContact C-N 3.27Å; L450-E452 PolarHBondContact O-N 3.08Å; E452-R573 IonicContact OE2-NH1 2.73Å; E452-T611 WeakPolarHBondContact CB-OG1 3.24Å; E452-T611 CarbonylContact O-C 3.36Å; E452-T611 PolarHBondContact O-OG1 3.39Å; E452-S612 WeakPolarHBondContact O-CA 3.33Å; E452-S612 WeakPolarHBondContact O-CB 3.34Å; E452-S612 PolarHBondContact O-N 3.45Å; E452-S612 VanDerWaalsContact O-N 3.09Å |
| 453 | G | 84.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -114 | -39.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | W449 L450 T576 S612 | W449-G453 PolarHBondContact O-N 3.16Å; W449-G453 VanDerWaalsContact O-N 3.13Å; L450-G453 PolarHBondContact O-N 3.1Å; G453-T576 CarbonylContact C-O 3.57Å; G453-T576 WeakPolarHBondContact CA-OG1 3.31Å; G453-S612 WeakPolarHBondContact O-CB 3.46Å; G453-S612 PolarHBondContact O-OG 2.98Å |
| 454 | A | 88 | Confident | 88.2 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | trans | -86.7 | 127 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L450 T576 | L450-A454 HydrophobicContact CD2-CB 4.04Å; L450-A454 PolarHBondContact O-N 3.02Å; A454-T576 VanDerWaalsContact CA-O 3.25Å; A454-T576 WeakPolarHBondContact CA-O 3.16Å; A454-T576 PolarHBondContact N-O 2.84Å | ||
| 455 | I | 90.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.1 | 179.8 | -69 | -170.9 | 0 | 0 | 0 | 109.6 | E459 M460 R578 L579 W580 I610 V614 L615 | I455-E459 HydrophobicContact CG2-CB 4.01Å; I455-M460 HydrophobicContact CG2-CB 4.14Å; I455-R578 PolarHBondContact N-O 3.26Å; I455-L579 HydrophobicContact CG2-CD1 4.47Å; I455-L579 WeakPolarHBondContact O-CA 3.32Å; I455-W580 PolarHBondContact O-N 3.13Å; I455-I610 HydrophobicContact CD1-CG2 3.64Å; I455-I610 HydrophobicContact CG1-CG2 4.33Å; I455-V614 HydrophobicContact CB-CB 4.43Å; I455-V614 HydrophobicContact CB-CG1 4.16Å; I455-V614 HydrophobicContact CD1-CB 4.19Å; I455-V614 HydrophobicContact CD1-CG1 4.44Å; I455-V614 HydrophobicContact CG2-CG1 4.48Å; I455-L615 HydrophobicContact CD1-CD1 4.12Å; I455-L615 HydrophobicContact CD1-CD2 3.69Å; I455-L615 HydrophobicContact CD1-CG 3.55Å |
| 456 | D | 91 | Very high | 84.6 | Confident | 59 Ų | 59 | 58 Ų | 58 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 166.9 | 168.1 | 70.8 | 25.4 | 0 | 0 | 0 | 113.1 | P458 E459 M460 | D456-P458 VanDerWaalsContact OD1-CD 3.27Å; D456-P458 WeakPolarHBondContact OD1-CD 3.49Å; D456-E459 PolarHBondContact N-OE2 3.17Å; D456-E459 PolarHBondContact O-N 2.93Å; D456-E459 VanDerWaalsContact OD1-CB 3.25Å; D456-E459 WeakPolarHBondContact OD1-CB 3.3Å; D456-E459 WeakPolarHBondContact OD1-CG 3.42Å; D456-E459 PolarHBondContact OD1-N 2.92Å; D456-M460 PolarHBondContact O-N 3.44Å |
| 457 | L | 88.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | -177.8 | -134.6 | 96 | 0 | 0 | 0 | 113.8 | E459 M460 H461 L579 L581 D590 | L457-E459 PolarHBondContact O-N 3.19Å; L457-M460 WeakPolarHBondContact O-CB 3.47Å; L457-M460 PolarHBondContact O-N 3.17Å; L457-M460 VanDerWaalsContact O-N 3.17Å; L457-H461 PolarHBondContact O-CD2 2.78Å; L457-H461 VanDerWaalsContact O-CD2 3.29Å; L457-H461 PolarHBondContact O-N 2.62Å; L457-L579 HydrophobicContact CD1-CD1 4.18Å; L457-L579 HydrophobicContact CD1-CD2 3.98Å; L457-L579 HydrophobicContact CD1-CG 4.33Å; L457-L581 HydrophobicContact CD1-CD2 3.29Å; L457-D590 HydrophobicContact CD2-CB 3.57Å; L457-D590 WeakPolarHBondContact CD2-OD1 3.36Å |
| 458 | P | 87.7 | Confident | 80.7 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -57.8 | -41.7 | 173.6 | -27.8 | 35.7 | 0 | 0 | 0 | 114.3 | D456 M460 H461 R462 | D456-P458 VanDerWaalsContact OD1-CD 3.27Å; D456-P458 WeakPolarHBondContact OD1-CD 3.49Å; P458-M460 VanDerWaalsContact C-N 3.33Å; P458-H461 PolarHBondContact O-N 3.32Å; P458-R462 PolarHBondContact O-N 3.19Å |
| 459 | E | 87.4 | Confident | 78.7 | Confident | 70 Ų | 70 | 66.2 Ų | 66.2 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 172.7 | -75.8 | 172.1 | 164 | 0 | 0 | 111.7 | I455 D456 L457 R462 A463 | I455-E459 HydrophobicContact CG2-CB 4.01Å; D456-E459 PolarHBondContact N-OE2 3.17Å; D456-E459 PolarHBondContact O-N 2.93Å; D456-E459 VanDerWaalsContact OD1-CB 3.25Å; D456-E459 WeakPolarHBondContact OD1-CB 3.3Å; D456-E459 WeakPolarHBondContact OD1-CG 3.42Å; D456-E459 PolarHBondContact OD1-N 2.92Å; L457-E459 PolarHBondContact O-N 3.19Å; E459-R462 VanDerWaalsContact CG-NH2 3.26Å; E459-R462 PolarHBondContact O-N 3.41Å; E459-A463 PolarHBondContact O-N 3.17Å |
| 460 | M | 87.1 | Confident | 76.8 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 176 | -158.7 | -176.8 | -95.8 | 0 | 0 | 111.4 | I455 D456 L457 P458 R462 A463 F464 L579 L593 L594 V614 | I455-M460 HydrophobicContact CG2-CB 4.14Å; D456-M460 PolarHBondContact O-N 3.44Å; L457-M460 WeakPolarHBondContact O-CB 3.47Å; L457-M460 PolarHBondContact O-N 3.17Å; L457-M460 VanDerWaalsContact O-N 3.17Å; P458-M460 VanDerWaalsContact C-N 3.33Å; M460-R462 VanDerWaalsContact C-N 3.33Å; M460-R462 PolarHBondContact O-N 3.43Å; M460-A463 PolarHBondContact O-N 3.12Å; M460-A463 VanDerWaalsContact O-N 3.16Å; M460-F464 HydrophobicContact CG-CD2 4.02Å; M460-F464 HydrophobicContact CG-CE2 4.09Å; M460-F464 WeakPolarHBondContact O-CD2 3.39Å; M460-F464 PolarHBondContact O-N 3.12Å; M460-F464 VanDerWaalsContact O-N 3.1Å; M460-L579 HydrophobicContact CE-CD1 3.57Å; M460-L579 HydrophobicContact CE-CD2 3.91Å; M460-L579 HydrophobicContact CE-CG 4.21Å; M460-L579 HydrophobicContact SD-CD1 4.24Å; M460-L579 HydrophobicContact SD-CD2 4.29Å; M460-L593 HydrophobicContact CB-CD2 4.14Å; M460-L593 HydrophobicContact CG-CD2 3.9Å; M460-L593 HydrophobicContact SD-CD2 4.08Å; M460-L593 HydrophobicContact SD-CG 4.48Å; M460-L594 HydrophobicContact SD-CD2 3.94Å; M460-V614 HydrophobicContact CE-CG1 3.25Å |
| 461 | H | 85.2 | Confident | 75.2 | Confident | 62 Ų | 62 | 70.5 Ų | 70.5 | 29% | 0.287 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 174.1 | -83.6 | -70.9 | 0 | 0 | 0 | 112.8 | L457 P458 A463 F464 A465 D590 | L457-H461 PolarHBondContact O-CD2 2.78Å; L457-H461 VanDerWaalsContact O-CD2 3.29Å; L457-H461 PolarHBondContact O-N 2.62Å; P458-H461 PolarHBondContact O-N 3.32Å; H461-A463 VanDerWaalsContact C-N 3.34Å; H461-A463 PolarHBondContact O-N 2.83Å; H461-F464 CarbonylContact O-C 3.55Å; H461-F464 PolarHBondContact O-N 3.36Å; H461-A465 PolarHBondContact O-N 2.91Å; H461-A465 VanDerWaalsContact O-N 3.14Å; H461-D590 IonicContact CD2-OD1 2.78Å; H461-D590 IonicContact CE1-OD1 2.74Å; H461-D590 IonicContact NE2-OD1 3.89Å; H461-D590 PolarHBondContact NE2-OD1 2.71Å |
| 462 | R | 83.3 | Confident | 73.8 | Confident | 176 Ų | 176 | 69.9 Ų | 69.9 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 175.3 | -76.4 | -174.1 | -70.5 | -142.1 | -0.8 | 112.1 | P458 E459 M460 F464 | P458-R462 PolarHBondContact O-N 3.19Å; E459-R462 VanDerWaalsContact CG-NH2 3.26Å; E459-R462 PolarHBondContact O-N 3.41Å; M460-R462 VanDerWaalsContact C-N 3.33Å; M460-R462 PolarHBondContact O-N 3.43Å; R462-F464 VanDerWaalsContact C-N 3.31Å; R462-F464 PolarHBondContact O-N 3.28Å |
| 463 | A | 78.9 | Confident | 72.5 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.2 | -29.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E459 M460 H461 P602 L615 | E459-A463 PolarHBondContact O-N 3.17Å; M460-A463 PolarHBondContact O-N 3.12Å; M460-A463 VanDerWaalsContact O-N 3.16Å; H461-A463 VanDerWaalsContact C-N 3.34Å; H461-A463 PolarHBondContact O-N 2.83Å; A463-P602 HydrophobicContact CB-CG 4.21Å; A463-P602 WeakPolarHBondContact O-CB 3.47Å; A463-L615 HydrophobicContact CB-CD2 3.84Å |
| 464 | F | 79 | Confident | 71.3 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 19% | 0.189 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 18.8 | -176.2 | -75.1 | -89.2 | 0 | 0 | 0 | 113.9 | M460 H461 R462 N466 L593 L597 P602 L615 | M460-F464 HydrophobicContact CG-CD2 4.02Å; M460-F464 HydrophobicContact CG-CE2 4.09Å; M460-F464 WeakPolarHBondContact O-CD2 3.39Å; M460-F464 PolarHBondContact O-N 3.12Å; M460-F464 VanDerWaalsContact O-N 3.1Å; H461-F464 CarbonylContact O-C 3.55Å; H461-F464 PolarHBondContact O-N 3.36Å; R462-F464 VanDerWaalsContact C-N 3.31Å; R462-F464 PolarHBondContact O-N 3.28Å; F464-N466 PolarHBondContact O-N 3.02Å; F464-L593 HydrophobicContact CB-CD1 3.39Å; F464-L593 HydrophobicContact CD1-CD1 4.23Å; F464-L593 HydrophobicContact CD2-CD1 3.83Å; F464-L593 HydrophobicContact CG-CD1 3.58Å; F464-L597 HydrophobicContact CE1-CD2 4.16Å; F464-L597 HydrophobicContact CE2-CD2 4.06Å; F464-L597 HydrophobicContact CZ-CD2 3.63Å; F464-P602 HydrophobicContact CD1-CB 4.04Å; F464-P602 HydrophobicContact CD1-CG 4.29Å; F464-P602 HydrophobicContact CD2-CG 4.21Å; F464-P602 HydrophobicContact CE1-CB 3.97Å; F464-P602 HydrophobicContact CE1-CG 4Å; F464-P602 HydrophobicContact CE2-CG 3.93Å; F464-P602 HydrophobicContact CG-CB 4.44Å; F464-P602 HydrophobicContact CG-CG 4.39Å; F464-P602 HydrophobicContact CZ-CB 4.32Å; F464-P602 HydrophobicContact CZ-CG 3.82Å; F464-L615 HydrophobicContact CE2-CD2 3.92Å |
| 465 | A | 62.5 | Low | 69.9 | Low | 73 Ų | 73 | 77.8 Ų | 77.8 | 60% | 0.603 | 39% | 0.392 | S | S | * | . | trans | -57.1 | 6.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | H461 | H461-A465 PolarHBondContact O-N 2.91Å; H461-A465 VanDerWaalsContact O-N 3.14Å | ||
| 466 | N | 51.2 | Low | 68.1 | Low | 157 Ų | 157 | 83.4 Ų | 83.4 | 84% | 0.84 | 43% | 0.427 | S | S | * | . | trans | -111.7 | 30.3 | -173.5 | -72.6 | -27.5 | 0 | 0 | 0 | 116 | F464 P468 | F464-N466 PolarHBondContact O-N 3.02Å; N466-P468 VanDerWaalsContact C-CD 3.49Å | ||
| 467 | S | 53.7 | Low | 66.6 | Low | 57 Ų | 57 | 83.7 Ų | 83.7 | 40% | 0.399 | 43% | 0.428 | S | S | . | . | trans | -130 | 58 | 173 | -149.3 | 0 | 0 | 0 | 0 | 116.4 | E469 H470 | S467-E469 PolarHBondContact O-N 2.75Å; S467-E469 VanDerWaalsContact O-N 3.16Å; S467-H470 PolarHBondContact O-N 2.89Å | ||
| 468 | P | 49.9 | Very low | 65.1 | Low | 102 Ų | 102 | 87.7 Ų | 87.7 | 66% | 0.662 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60.5 | -21.2 | 172.8 | 23.2 | -30.5 | 0 | 0 | 0 | 113.6 | N466 | N466-P468 VanDerWaalsContact C-CD 3.49Å |
| 469 | E | 50.2 | Low | 63.6 | Low | 150 Ų | 150 | 90 Ų | 90 | 70% | 0.701 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.8 | -35.7 | 177.6 | -74.9 | -154.8 | 155.7 | 0 | 0 | 113.7 | S467 R473 | S467-E469 PolarHBondContact O-N 2.75Å; S467-E469 VanDerWaalsContact O-N 3.16Å; E469-R473 PolarHBondContact O-N 3.36Å |
| 470 | H | 52.4 | Low | 62.7 | Low | 73 Ų | 73 | 87.9 Ų | 87.9 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | -177.2 | -104.5 | 81.8 | 0 | 0 | 0 | 111.4 | S467 K472 R473 I474 | S467-H470 PolarHBondContact O-N 2.89Å; H470-K472 VanDerWaalsContact C-N 3.34Å; H470-K472 PolarHBondContact O-N 2.88Å; H470-R473 PolarHBondContact O-N 3.4Å; H470-I474 WeakPolarHBondContact O-CG1 3.49Å |
| 471 | Y | 58.6 | Low | 62.1 | Low | 67 Ų | 67 | 88.2 Ų | 88.2 | 26% | 0.263 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | -180 | -175.3 | -102.5 | 0 | 0 | 0 | 113 | R473 I474 T475 L588 K589 | Y471-R473 PolarHBondContact O-N 2.87Å; Y471-I474 PolarHBondContact O-N 2.96Å; Y471-T475 HydrophobicContact CE1-CG2 4.44Å; Y471-T475 PolarHBondContact O-OG1 3.47Å; Y471-L588 HydrophobicContact CE2-CB 3.87Å; Y471-K589 HydrophobicContact CD2-CB 4.45Å; Y471-K589 HydrophobicContact CD2-CG 3.71Å; Y471-K589 HydrophobicContact CE2-CB 4.35Å; Y471-K589 HydrophobicContact CE2-CG 3.38Å |
| 472 | K | 57.6 | Low | 61.3 | Low | 166 Ų | 166 | 88.8 Ų | 88.8 | 72% | 0.722 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.3 | -32.9 | 177.4 | -85.9 | -175.2 | 175.4 | 179.9 | 0 | 113.3 | H470 I474 T475 | H470-K472 VanDerWaalsContact C-N 3.34Å; H470-K472 PolarHBondContact O-N 2.88Å; K472-I474 PolarHBondContact O-N 3.29Å; K472-T475 PolarHBondContact O-OG1 3.48Å |
| 473 | R | 54.7 | Low | 60.7 | Low | 194 Ų | 194 | 84.3 Ų | 84.3 | 73% | 0.732 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.2 | -21.3 | 178 | -86.3 | -175.5 | 175.7 | 171.6 | 1.6 | 113.6 | E469 H470 Y471 | E469-R473 PolarHBondContact O-N 3.36Å; H470-R473 PolarHBondContact O-N 3.4Å; Y471-R473 PolarHBondContact O-N 2.87Å |
| 474 | I | 59.2 | Low | 60.7 | Low | 17 Ų | 17 | 83.1 Ų | 83.1 | 9% | 0.087 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -94 | -11.1 | -176.2 | -20 | -170.2 | 0 | 0 | 0 | 112.3 | H470 Y471 K472 A592 R669 | H470-I474 WeakPolarHBondContact O-CG1 3.49Å; Y471-I474 PolarHBondContact O-N 2.96Å; K472-I474 PolarHBondContact O-N 3.29Å; I474-A592 HydrophobicContact CD1-CB 3.46Å; I474-A592 VanDerWaalsContact CD1-CB 3.46Å; I474-R669 VanDerWaalsContact CG2-CZ 3.48Å; I474-R669 PolarHBondContact O-NH1 3.1Å |
| 475 | T | 59.8 | Low | 60.9 | Low | 38 Ų | 38 | 84 Ų | 84 | 23% | 0.233 | 44% | 0.441 | C | S | . | . | trans | -114.9 | 17.4 | -169.4 | 45.7 | 0 | 0 | 0 | 0 | 114.7 | Y471 K472 L477 L588 | Y471-T475 HydrophobicContact CE1-CG2 4.44Å; Y471-T475 PolarHBondContact O-OG1 3.47Å; K472-T475 PolarHBondContact O-OG1 3.48Å; T475-L477 WeakPolarHBondContact O-CG 3.45Å; T475-L477 PolarHBondContact O-N 3.06Å; T475-L588 HydrophobicContact CG2-CD1 4.13Å | ||
| 476 | T | 52.7 | Low | 62 | Low | 124 Ų | 124 | 82.5 Ų | 82.5 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | trans | -65.9 | 104.2 | 171.6 | 34.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 477 | L | 60 | Low | 63.7 | Low | 64 Ų | 64 | 75 Ų | 75 | 34% | 0.335 | 38% | 0.379 | S | S | . | . | trans | -97.7 | 135.5 | -175.9 | -69 | 160.4 | 0 | 0 | 0 | 111.1 | T475 E733 R737 | T475-L477 WeakPolarHBondContact O-CG 3.45Å; T475-L477 PolarHBondContact O-N 3.06Å; L477-E733 HydrophobicContact CD2-CB 3.64Å; L477-E733 HydrophobicContact CD2-CG 3.89Å; L477-R737 HydrophobicContact CD2-CG 4.24Å | ||
| 478 | E | 56.4 | Low | 65 | Low | 103 Ų | 103 | 72.9 Ų | 72.9 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | trans | -60 | 150.9 | 158.4 | -72.4 | -167.3 | 164 | 0 | 0 | 111.5 | S480 R737 | E478-S480 PolarHBondContact O-N 3.14Å; E478-R737 PolarHBondContact O-NE 3.37Å | ||
| 479 | P | 55.4 | Low | 66.8 | Low | 124 Ų | 124 | 68.2 Ų | 68.2 | 81% | 0.805 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -73.1 | -23.7 | -163.6 | 25.1 | -32.3 | 0 | 0 | 0 | 115.5 | ||
| 480 | S | 69.7 | Low | 68.8 | Low | 25 Ų | 25 | 61.3 Ų | 61.3 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | trans | -128.5 | 146.7 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | E478 I482 E741 | E478-S480 PolarHBondContact O-N 3.14Å; S480-I482 VanDerWaalsContact C-N 3.32Å; S480-I482 PolarHBondContact OG-N 2.89Å; S480-E741 WeakPolarHBondContact CA-OE1 3.34Å; S480-E741 WeakPolarHBondContact CB-OE1 3.44Å; S480-E741 PolarHBondContact OG-OE1 3.4Å | ||
| 481 | I | 73.8 | Confident | 70.5 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -67.5 | -32.2 | 175.7 | -166 | 165.4 | 0 | 0 | 0 | 112.7 | D483 D484 L487 I497 R737 L738 E741 | I481-D483 PolarHBondContact O-N 2.76Å; I481-D484 PolarHBondContact O-N 3.46Å; I481-L487 HydrophobicContact CD1-CD1 4.43Å; I481-L487 HydrophobicContact CG1-CD1 3.67Å; I481-L487 VanDerWaalsContact O-CD1 3.25Å; I481-L487 WeakPolarHBondContact O-CD1 3.35Å; I481-I497 HydrophobicContact CD1-CD1 4.15Å; I481-R737 HydrophobicContact CB-CB 4.25Å; I481-L738 HydrophobicContact CD1-CD1 4.16Å; I481-L738 HydrophobicContact CD1-CD2 3.67Å; I481-L738 HydrophobicContact CD1-CG 3.57Å; I481-L738 HydrophobicContact CG2-CD2 4.4Å; I481-E741 VanDerWaalsContact CG2-OE2 3.23Å; I481-E741 WeakPolarHBondContact CG2-OE2 3.27Å; I481-E741 PolarHBondContact N-OE1 3.08Å |
| 482 | I | 68.2 | Low | 71.9 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -27.6 | -174.6 | -58 | 172.1 | 0 | 0 | 0 | 111.1 | S480 | S480-I482 VanDerWaalsContact C-N 3.32Å; S480-I482 PolarHBondContact OG-N 2.89Å |
| 483 | D | 70.7 | Confident | 73 | Confident | 83 Ų | 83 | 48.2 Ų | 48.2 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -12.6 | -176.9 | -63 | -33.8 | 0 | 0 | 0 | 113.5 | I481 R485 | I481-D483 PolarHBondContact O-N 2.76Å; D483-R485 PolarHBondContact O-N 3.36Å |
| 484 | D | 80 | Confident | 74 | Confident | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | trans | -71.4 | 101.8 | -177.1 | -173.1 | -5.2 | 0 | 0 | 0 | 111.8 | I481 R486 L487 P488 R737 | I481-D484 PolarHBondContact O-N 3.46Å; D484-R486 PolarHBondContact O-N 2.98Å; D484-R486 VanDerWaalsContact O-N 3.11Å; D484-R486 WeakPolarHBondContact OD1-CB 3.23Å; D484-R486 VanDerWaalsContact OD1-CG 3.29Å; D484-R486 WeakPolarHBondContact OD1-CG 3.24Å; D484-R486 IonicContact OD1-CZ 2.77Å; D484-R486 PolarHBondContact OD1-N 3.22Å; D484-R486 IonicContact OD1-NE 3.32Å; D484-R486 PolarHBondContact OD1-NE 2.94Å; D484-R486 IonicContact OD1-NH2 3.84Å; D484-R486 IonicContact OD2-CZ 3.58Å; D484-R486 IonicContact OD2-NE 3.66Å; D484-R486 PolarHBondContact OD2-NE 3.46Å; D484-R486 VanDerWaalsContact OD2-NE 3.17Å; D484-R486 IonicContact OD2-NH2 3.43Å; D484-R486 PolarHBondContact OD2-NH2 3.45Å; D484-L487 HydrophobicContact CB-CD1 4.23Å; D484-L487 HydrophobicContact CB-CG 4.16Å; D484-L487 WeakPolarHBondContact O-CB 3.34Å; D484-L487 PolarHBondContact O-N 2.87Å; D484-L487 VanDerWaalsContact O-N 3.09Å; D484-P488 WeakPolarHBondContact O-CD 3.39Å; D484-R737 IonicContact OD2-CZ 3.76Å; D484-R737 IonicContact OD2-NH1 3.75Å; D484-R737 PolarHBondContact OD2-NH1 3.2Å; D484-R737 IonicContact OD2-NH2 3.49Å | ||
| 485 | R | 81.6 | Confident | 75.1 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 23% | 0.234 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.9 | 178.4 | -56.8 | -60.8 | -178.8 | 135.6 | 8.1 | 113.9 | D483 L487 P488 L489 A828 Y829 D841 | D483-R485 PolarHBondContact O-N 3.36Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 2.91Å; R485-P488 WeakPolarHBondContact O-CD 3.47Å; R485-P488 WeakPolarHBondContact O-CG 3.48Å; R485-L489 PolarHBondContact O-N 3.08Å; R485-A828 WeakPolarHBondContact O-CB 3.48Å; R485-Y829 HydrophobicContact CB-CD1 4.46Å; R485-Y829 HydrophobicContact CB-CE1 3.72Å; R485-Y829 HydrophobicContact CG-CE1 4.14Å; R485-D841 IonicContact CZ-OD1 3.44Å; R485-D841 IonicContact CZ-OD2 2.62Å; R485-D841 IonicContact NH1-OD1 2.72Å; R485-D841 PolarHBondContact NH1-OD1 3.46Å; R485-D841 IonicContact NH1-OD2 2.7Å; R485-D841 IonicContact NH2-OD1 3.74Å; R485-D841 PolarHBondContact NH2-OD1 3.05Å; R485-D841 IonicContact NH2-OD2 3.45Å; R485-D841 PolarHBondContact NH2-OD2 3.48Å |
| 486 | R | 86.4 | Confident | 76.5 | Confident | 41 Ų | 41 | 37.8 Ų | 37.8 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70 | -27.3 | 177.4 | -57.3 | 172.5 | -61.6 | 160.5 | 11.7 | 111.3 | D484 L489 F490 L730 E733 R737 | D484-R486 PolarHBondContact O-N 2.98Å; D484-R486 VanDerWaalsContact O-N 3.11Å; D484-R486 WeakPolarHBondContact OD1-CB 3.23Å; D484-R486 VanDerWaalsContact OD1-CG 3.29Å; D484-R486 WeakPolarHBondContact OD1-CG 3.24Å; D484-R486 IonicContact OD1-CZ 2.77Å; D484-R486 PolarHBondContact OD1-N 3.22Å; D484-R486 IonicContact OD1-NE 3.32Å; D484-R486 PolarHBondContact OD1-NE 2.94Å; D484-R486 IonicContact OD1-NH2 3.84Å; D484-R486 IonicContact OD2-CZ 3.58Å; D484-R486 IonicContact OD2-NE 3.66Å; D484-R486 PolarHBondContact OD2-NE 3.46Å; D484-R486 VanDerWaalsContact OD2-NE 3.17Å; D484-R486 IonicContact OD2-NH2 3.43Å; D484-R486 PolarHBondContact OD2-NH2 3.45Å; R486-L489 WeakPolarHBondContact O-CB 3.39Å; R486-L489 PolarHBondContact O-N 3.41Å; R486-F490 HydrophobicContact CB-CD2 4.22Å; R486-F490 HydrophobicContact CB-CE2 4.42Å; R486-F490 VanDerWaalsContact O-CD2 3.25Å; R486-F490 WeakPolarHBondContact O-CD2 3.49Å; R486-F490 PolarHBondContact O-N 3.36Å; R486-L730 HydrophobicContact CB-CD1 4.28Å; R486-L730 HydrophobicContact CB-CD2 4.21Å; R486-E733 IonicContact CZ-OE2 3.55Å; R486-E733 VanDerWaalsContact CZ-OE2 3.24Å; R486-E733 IonicContact NH1-OE2 3.9Å; R486-E733 PolarHBondContact NH1-OE2 3.45Å; R486-E733 IonicContact NH2-OE2 2.69Å; R486-E733 PolarHBondContact NH2-OE2 2.78Å; R486-R737 VanDerWaalsContact NH2-NH2 3.17Å |
| 487 | L | 86.7 | Confident | 78 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.3 | -58.2 | 178.3 | -64.7 | 178.5 | 0 | 0 | 0 | 112.4 | I481 D484 R485 L489 F490 G491 Y492 L730 F846 | I481-L487 HydrophobicContact CD1-CD1 4.43Å; I481-L487 HydrophobicContact CG1-CD1 3.67Å; I481-L487 VanDerWaalsContact O-CD1 3.25Å; I481-L487 WeakPolarHBondContact O-CD1 3.35Å; D484-L487 HydrophobicContact CB-CD1 4.23Å; D484-L487 HydrophobicContact CB-CG 4.16Å; D484-L487 WeakPolarHBondContact O-CB 3.34Å; D484-L487 PolarHBondContact O-N 2.87Å; D484-L487 VanDerWaalsContact O-N 3.09Å; R485-L487 VanDerWaalsContact C-N 3.27Å; R485-L487 PolarHBondContact O-N 2.91Å; L487-L489 VanDerWaalsContact C-N 3.29Å; L487-L489 PolarHBondContact O-N 3.42Å; L487-F490 CarbonylContact O-C 3.31Å; L487-F490 PolarHBondContact O-N 3.45Å; L487-G491 PolarHBondContact O-N 2.95Å; L487-G491 VanDerWaalsContact O-N 3.07Å; L487-Y492 HydrophobicContact CD2-CD1 4.19Å; L487-Y492 HydrophobicContact CD2-CD2 4.23Å; L487-Y492 HydrophobicContact CD2-CG 3.9Å; L487-Y492 PolarHBondContact O-N 3.44Å; L487-L730 HydrophobicContact CD2-CD1 4.4Å; L487-L730 HydrophobicContact CD2-CD2 4.21Å; L487-L730 HydrophobicContact CD2-CG 4.2Å; L487-F846 HydrophobicContact CB-CD2 4Å; L487-F846 HydrophobicContact CB-CE2 4.22Å; L487-F846 HydrophobicContact CD1-CD2 3.7Å; L487-F846 HydrophobicContact CD1-CE2 3.8Å; L487-F846 HydrophobicContact CG-CD2 4.5Å |
| 488 | P | 82.2 | Confident | 79 | Confident | 12 Ų | 12 | 33 Ų | 33 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.8 | -31.6 | 176.2 | 24.7 | -33.8 | 0 | 0 | 0 | 112.9 | D484 R485 F490 G491 A828 Q845 | D484-P488 WeakPolarHBondContact O-CD 3.39Å; R485-P488 WeakPolarHBondContact O-CD 3.47Å; R485-P488 WeakPolarHBondContact O-CG 3.48Å; P488-F490 PolarHBondContact O-N 3.02Å; P488-G491 PolarHBondContact O-N 3.49Å; P488-G491 VanDerWaalsContact O-N 3.11Å; P488-A828 HydrophobicContact CG-CB 4.17Å; P488-Q845 HydrophobicContact CG-CB 4.29Å |
| 489 | L | 87.6 | Confident | 80.3 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -48.3 | 174.8 | 175.2 | 67.8 | 0 | 0 | 0 | 111.7 | R485 R486 L487 G491 P677 H825 A828 Y829 | R485-L489 PolarHBondContact O-N 3.08Å; R486-L489 WeakPolarHBondContact O-CB 3.39Å; R486-L489 PolarHBondContact O-N 3.41Å; L487-L489 VanDerWaalsContact C-N 3.29Å; L487-L489 PolarHBondContact O-N 3.42Å; L489-G491 VanDerWaalsContact C-N 3.25Å; L489-G491 PolarHBondContact O-N 3.36Å; L489-P677 HydrophobicContact CD1-CG 3.93Å; L489-P677 HydrophobicContact CD2-CG 4.04Å; L489-P677 HydrophobicContact CG-CG 4.01Å; L489-H825 HydrophobicContact CD1-CB 3.65Å; L489-A828 HydrophobicContact CB-CB 3.86Å; L489-Y829 HydrophobicContact CD2-CE2 4.19Å |
| 490 | F | 91.6 | Very high | 82 | Confident | 4 Ų | 4 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.2 | 177.2 | -69.4 | -68.8 | 0 | 0 | 0 | 113.2 | R486 L487 P488 Y492 H530 D668 P677 G707 E708 K710 L730 | R486-F490 HydrophobicContact CB-CD2 4.22Å; R486-F490 HydrophobicContact CB-CE2 4.42Å; R486-F490 VanDerWaalsContact O-CD2 3.25Å; R486-F490 WeakPolarHBondContact O-CD2 3.49Å; R486-F490 PolarHBondContact O-N 3.36Å; L487-F490 CarbonylContact O-C 3.31Å; L487-F490 PolarHBondContact O-N 3.45Å; P488-F490 PolarHBondContact O-N 3.02Å; F490-Y492 VanDerWaalsContact C-N 3.35Å; F490-Y492 HydrophobicContact CB-CD2 4.01Å; F490-Y492 HydrophobicContact CB-CE2 3.95Å; F490-Y492 PolarHBondContact O-N 2.93Å; F490-H530 PolarHBondContact O-CE1 3.41Å; F490-H530 PolarHBondContact O-NE2 3.26Å; F490-D668 HydrophobicContact CE1-CB 4.31Å; F490-D668 WeakPolarHBondContact CE1-OD2 3.47Å; F490-D668 HydrophobicContact CZ-CB 4.3Å; F490-P677 HydrophobicContact CE1-CB 4.04Å; F490-P677 HydrophobicContact CE1-CG 4.25Å; F490-P677 HydrophobicContact CZ-CB 4.34Å; F490-G707 WeakPolarHBondContact CB-O 3.2Å; F490-E708 HydrophobicContact CD1-CB 3.79Å; F490-E708 HydrophobicContact CD1-CG 4.2Å; F490-E708 HydrophobicContact CE1-CB 4.36Å; F490-K710 PolarHBondContact O-NZ 3.31Å; F490-L730 HydrophobicContact CB-CD2 4.12Å; F490-L730 HydrophobicContact CD2-CD2 3.57Å; F490-L730 HydrophobicContact CE2-CD2 4.37Å; F490-L730 HydrophobicContact CG-CD2 4.18Å |
| 491 | G | 87.6 | Confident | 83 | Confident | 16 Ų | 16 | 23.3 Ų | 23.3 | 17% | 0.165 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 25 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L487 P488 L489 K710 | L487-G491 PolarHBondContact O-N 2.95Å; L487-G491 VanDerWaalsContact O-N 3.07Å; P488-G491 PolarHBondContact O-N 3.49Å; P488-G491 VanDerWaalsContact O-N 3.11Å; L489-G491 VanDerWaalsContact C-N 3.25Å; L489-G491 PolarHBondContact O-N 3.36Å; G491-K710 WeakPolarHBondContact O-CE 3.48Å; G491-K710 PolarHBondContact O-NZ 3.38Å |
| 492 | Y | 87.4 | Confident | 83.6 | Confident | 8 Ų | 8 | 25 Ų | 25 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | trans | -72.4 | 137.6 | 169 | -73 | -109.1 | 0 | 0 | 0 | 110 | L487 F490 I501 G707 K710 L730 I731 | L487-Y492 HydrophobicContact CD2-CD1 4.19Å; L487-Y492 HydrophobicContact CD2-CD2 4.23Å; L487-Y492 HydrophobicContact CD2-CG 3.9Å; L487-Y492 PolarHBondContact O-N 3.44Å; F490-Y492 VanDerWaalsContact C-N 3.35Å; F490-Y492 HydrophobicContact CB-CD2 4.01Å; F490-Y492 HydrophobicContact CB-CE2 3.95Å; F490-Y492 PolarHBondContact O-N 2.93Å; Y492-I501 HydrophobicContact CD1-CD1 4.38Å; Y492-I501 HydrophobicContact CE1-CD1 4.14Å; Y492-G707 WeakPolarHBondContact CE2-O 3.38Å; Y492-G707 PolarHBondContact OH-O 3.34Å; Y492-K710 HydrophobicContact CD1-CD 3.8Å; Y492-K710 HydrophobicContact CD2-CD 4.02Å; Y492-K710 HydrophobicContact CE1-CB 3.72Å; Y492-K710 HydrophobicContact CE1-CD 3.76Å; Y492-K710 HydrophobicContact CE1-CG 4.35Å; Y492-K710 HydrophobicContact CE2-CD 3.94Å; Y492-K710 HydrophobicContact CG-CD 3.94Å; Y492-L730 HydrophobicContact CD2-CD2 4.25Å; Y492-L730 HydrophobicContact CE2-CD2 3.82Å; Y492-L730 HydrophobicContact CE2-CG 4.43Å; Y492-I731 HydrophobicContact CE1-CD1 3.76Å; Y492-I731 HydrophobicContact CE1-CG1 4.46Å; Y492-I731 WeakPolarHBondContact OH-CG1 3.5Å | ||
| 493 | N | 80.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 23.1 Ų | 23.1 | 4% | 0.043 | 12% | 0.122 | C | C | . | . | trans | -140.9 | 171.5 | 177.6 | 63.3 | 57.9 | 0 | 0 | 0 | 110.9 | E495 N496 I497 | N493-E495 VanDerWaalsContact C-N 3.26Å; N493-E495 PolarHBondContact O-N 3.25Å; N493-E495 WeakPolarHBondContact OD1-CA 3.48Å; N493-E495 WeakPolarHBondContact OD1-CB 3.33Å; N493-E495 PolarHBondContact OD1-N 3.49Å; N493-N496 PolarHBondContact ND2-OD1 3.46Å; N493-N496 PolarHBondContact O-N 3.45Å; N493-N496 PolarHBondContact OD1-N 2.78Å; N493-N496 PolarHBondContact OD1-OD1 2.86Å; N493-I497 PolarHBondContact O-N 2.82Å | ||
| 494 | P | 77 | Confident | 85.5 | Confident | 21 Ų | 21 | 19.3 Ų | 19.3 | 14% | 0.136 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -27.1 | -178.2 | -27.2 | 37.1 | 0 | 0 | 0 | 114.8 | N498 F846 | P494-N498 WeakPolarHBondContact O-CB 3.16Å; P494-N498 PolarHBondContact O-N 2.85Å; P494-N498 PolarHBondContact O-ND2 2.95Å; P494-F846 HydrophobicContact CB-CE1 4.48Å; P494-F846 VanDerWaalsContact CD-O 3.22Å; P494-F846 WeakPolarHBondContact CD-O 3.5Å; P494-F846 HydrophobicContact CG-CD1 4.3Å; P494-F846 HydrophobicContact CG-CE1 4.01Å; P494-F846 WeakPolarHBondContact CG-O 3.48Å |
| 495 | E | 82.8 | Confident | 86 | Confident | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.023 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -69.4 | -45.4 | 175.4 | -73.7 | -171 | 133.1 | 0 | 0 | 111 | N493 I497 N498 L499 N849 G851 F852 Y853 H854 | N493-E495 VanDerWaalsContact C-N 3.26Å; N493-E495 PolarHBondContact O-N 3.25Å; N493-E495 WeakPolarHBondContact OD1-CA 3.48Å; N493-E495 WeakPolarHBondContact OD1-CB 3.33Å; N493-E495 PolarHBondContact OD1-N 3.49Å; E495-I497 VanDerWaalsContact C-N 3.3Å; E495-I497 PolarHBondContact O-N 2.97Å; E495-N498 PolarHBondContact O-N 3.5Å; E495-L499 HydrophobicContact CB-CD1 4.08Å; E495-L499 HydrophobicContact CG-CD1 4.18Å; E495-L499 WeakPolarHBondContact O-CA 3.43Å; E495-L499 WeakPolarHBondContact O-CB 3.3Å; E495-L499 PolarHBondContact O-N 3.33Å; E495-N849 WeakPolarHBondContact CG-OD1 3.43Å; E495-G851 WeakPolarHBondContact OE2-CA 3.24Å; E495-F852 PolarHBondContact OE2-N 3.33Å; E495-Y853 HydrophobicContact CB-CD2 4Å; E495-Y853 PolarHBondContact OE2-N 3.23Å; E495-Y853 VanDerWaalsContact OE2-N 3.12Å; E495-H854 WeakPolarHBondContact OE1-CB 3.37Å; E495-H854 IonicContact OE1-CG 3.54Å; E495-H854 PolarHBondContact OE1-N 3.47Å; E495-H854 IonicContact OE1-ND1 3.16Å |
| 496 | N | 87.8 | Confident | 86.1 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -58.9 | -43.3 | 178.6 | -63.4 | 126.6 | 0 | 0 | 0 | 111.5 | N493 L500 I501 K710 E711 | N493-N496 PolarHBondContact ND2-OD1 3.46Å; N493-N496 PolarHBondContact O-N 3.45Å; N493-N496 PolarHBondContact OD1-N 2.78Å; N493-N496 PolarHBondContact OD1-OD1 2.86Å; N496-L500 VanDerWaalsContact O-CB 3.3Å; N496-L500 WeakPolarHBondContact O-CB 3.26Å; N496-L500 PolarHBondContact O-N 2.6Å; N496-I501 PolarHBondContact O-N 2.97Å; N496-K710 HydrophobicContact CB-CD 4.29Å; N496-K710 WeakPolarHBondContact OD1-CE 3.33Å; N496-E711 PolarHBondContact ND2-OE1 3.2Å; N496-E711 VanDerWaalsContact ND2-OE1 3.14Å |
| 497 | I | 84.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 27 Ų | 27 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | I | π-helix | trans | -66.7 | -54.4 | 178.5 | -62.8 | -163.7 | 0 | 0 | 0 | 110.9 | I481 N493 E495 I501 L502 L738 F846 | I481-I497 HydrophobicContact CD1-CD1 4.15Å; N493-I497 PolarHBondContact O-N 2.82Å; E495-I497 VanDerWaalsContact C-N 3.3Å; E495-I497 PolarHBondContact O-N 2.97Å; I497-I501 HydrophobicContact CG1-CD1 4.26Å; I497-I501 PolarHBondContact O-N 2.72Å; I497-L502 HydrophobicContact CG2-CD1 4.33Å; I497-L502 HydrophobicContact CG2-CG 4.03Å; I497-L502 WeakPolarHBondContact O-CG 3.32Å; I497-L502 PolarHBondContact O-N 3.17Å; I497-L738 HydrophobicContact CG2-CD1 4.3Å; I497-F846 HydrophobicContact CD1-CE1 4.02Å; I497-F846 HydrophobicContact CD1-CE2 3.9Å; I497-F846 HydrophobicContact CD1-CZ 3.23Å; I497-F846 HydrophobicContact CG1-CZ 3.81Å |
| 498 | N | 80.5 | Confident | 86.3 | Confident | 75 Ų | 75 | 28.4 Ų | 28.4 | 40% | 0.401 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -75.2 | -36.7 | -170.9 | -70.7 | -64 | 0 | 0 | 0 | 114 | P494 E495 P503 | P494-N498 WeakPolarHBondContact O-CB 3.16Å; P494-N498 PolarHBondContact O-N 2.85Å; P494-N498 PolarHBondContact O-ND2 2.95Å; E495-N498 PolarHBondContact O-N 3.5Å; N498-P503 WeakPolarHBondContact O-CD 3.04Å |
| 499 | L | 84.8 | Confident | 86.6 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 20% | 0.204 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -90.7 | -25.6 | -175.4 | -61.4 | 177.4 | 0 | 0 | 0 | 113.2 | E495 P503 A511 Y853 | E495-L499 HydrophobicContact CB-CD1 4.08Å; E495-L499 HydrophobicContact CG-CD1 4.18Å; E495-L499 WeakPolarHBondContact O-CA 3.43Å; E495-L499 WeakPolarHBondContact O-CB 3.3Å; E495-L499 PolarHBondContact O-N 3.33Å; L499-P503 WeakPolarHBondContact O-CG 3.37Å; L499-A511 WeakPolarHBondContact O-CB 3.2Å; L499-Y853 HydrophobicContact CD1-CG 4.3Å |
| 500 | L | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -116.4 | -61 | -174.1 | -47 | 174.9 | 0 | 0 | 0 | 111.8 | N496 P503 M504 E711 Y853 W1106 | N496-L500 VanDerWaalsContact O-CB 3.3Å; N496-L500 WeakPolarHBondContact O-CB 3.26Å; N496-L500 PolarHBondContact O-N 2.6Å; L500-P503 WeakPolarHBondContact O-CD 3.33Å; L500-M504 WeakPolarHBondContact O-CB 3.25Å; L500-M504 WeakPolarHBondContact O-CG 3.45Å; L500-M504 PolarHBondContact O-N 3.21Å; L500-M504 VanDerWaalsContact O-N 3.11Å; L500-E711 HydrophobicContact CD1-CG 3.91Å; L500-Y853 HydrophobicContact CD1-CE2 4.41Å; L500-Y853 WeakPolarHBondContact CD1-OH 3.09Å; L500-W1106 HydrophobicContact CD2-CB 3.89Å; L500-W1106 HydrophobicContact CD2-CG 3.92Å |
| 501 | I | 90.9 | Very high | 86.4 | Confident | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -69.6 | -49.1 | -170 | -61.4 | 167.6 | 0 | 0 | 0 | 111.4 | Y492 N496 I497 M504 L505 I731 V735 | Y492-I501 HydrophobicContact CD1-CD1 4.38Å; Y492-I501 HydrophobicContact CE1-CD1 4.14Å; N496-I501 PolarHBondContact O-N 2.97Å; I497-I501 HydrophobicContact CG1-CD1 4.26Å; I497-I501 PolarHBondContact O-N 2.72Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.35Å; I501-M504 VanDerWaalsContact O-N 3.14Å; I501-L505 HydrophobicContact CG2-CD1 4Å; I501-L505 HydrophobicContact CG2-CG 4.33Å; I501-L505 WeakPolarHBondContact O-CG 3.45Å; I501-L505 PolarHBondContact O-N 3.16Å; I501-I731 HydrophobicContact CD1-CD1 3.57Å; I501-I731 HydrophobicContact CG1-CD1 4.12Å; I501-V735 HydrophobicContact CG2-CG2 4.48Å |
| 502 | L | 86.8 | Confident | 86.6 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 23% | 0.225 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 179.9 | -69.1 | -177.3 | 0 | 0 | 0 | 112.7 | I497 M504 L505 K506 L738 L744 | I497-L502 HydrophobicContact CG2-CD1 4.33Å; I497-L502 HydrophobicContact CG2-CG 4.03Å; I497-L502 WeakPolarHBondContact O-CG 3.32Å; I497-L502 PolarHBondContact O-N 3.17Å; L502-M504 VanDerWaalsContact C-N 3.35Å; L502-M504 PolarHBondContact O-N 3.2Å; L502-L505 HydrophobicContact CD2-CD1 4.38Å; L502-L505 PolarHBondContact O-N 2.93Å; L502-K506 WeakPolarHBondContact O-CB 3.34Å; L502-K506 PolarHBondContact O-N 3.22Å; L502-L738 HydrophobicContact CD2-CD1 4.43Å; L502-L744 HydrophobicContact CD2-CD2 3.35Å |
| 503 | P | 87.8 | Confident | 86.8 | Confident | 33 Ų | 33 | 37.1 Ų | 37.1 | 21% | 0.214 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -39 | 172.2 | -29.5 | 38.4 | 0 | 0 | 0 | 114.3 | N498 L499 L500 K506 T507 A511 | N498-P503 WeakPolarHBondContact O-CD 3.04Å; L499-P503 WeakPolarHBondContact O-CG 3.37Å; L500-P503 WeakPolarHBondContact O-CD 3.33Å; P503-K506 PolarHBondContact O-N 3.21Å; P503-T507 PolarHBondContact O-N 3.16Å; P503-T507 PolarHBondContact O-OG1 2.89Å; P503-A511 HydrophobicContact CB-CB 3.78Å; P503-A511 HydrophobicContact CG-CB 3.99Å |
| 504 | M | 90.6 | Very high | 87.4 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 176.1 | -78.2 | 174.5 | -175.1 | 0 | 0 | 111.6 | L500 I501 L502 S508 K509 E510 V712 F759 S762 | L500-M504 WeakPolarHBondContact O-CB 3.25Å; L500-M504 WeakPolarHBondContact O-CG 3.45Å; L500-M504 PolarHBondContact O-N 3.21Å; L500-M504 VanDerWaalsContact O-N 3.11Å; I501-M504 WeakPolarHBondContact O-CB 3.42Å; I501-M504 PolarHBondContact O-N 3.35Å; I501-M504 VanDerWaalsContact O-N 3.14Å; L502-M504 VanDerWaalsContact C-N 3.35Å; L502-M504 PolarHBondContact O-N 3.2Å; M504-S508 WeakPolarHBondContact O-CA 3.44Å; M504-S508 PolarHBondContact O-N 3.33Å; M504-K509 WeakPolarHBondContact CA-O 3.46Å; M504-E510 HydrophobicContact CE-CB 4.23Å; M504-E510 HydrophobicContact CE-CG 3.84Å; M504-V712 HydrophobicContact CE-CG2 4.02Å; M504-F759 HydrophobicContact CB-CD2 4.43Å; M504-F759 HydrophobicContact SD-CD2 4.39Å; M504-F759 HydrophobicContact SD-CE2 4.04Å; M504-S762 WeakPolarHBondContact CB-OG 3.49Å; M504-S762 WeakPolarHBondContact CG-OG 3.47Å |
| 505 | L | 89.5 | Confident | 88.3 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 175.7 | -64.5 | 171 | 0 | 0 | 0 | 112.1 | I501 L502 V735 L744 L755 F759 | I501-L505 HydrophobicContact CG2-CD1 4Å; I501-L505 HydrophobicContact CG2-CG 4.33Å; I501-L505 WeakPolarHBondContact O-CG 3.45Å; I501-L505 PolarHBondContact O-N 3.16Å; L502-L505 HydrophobicContact CD2-CD1 4.38Å; L502-L505 PolarHBondContact O-N 2.93Å; L505-V735 HydrophobicContact CD1-CG1 4.25Å; L505-V735 HydrophobicContact CD1-CG2 3.94Å; L505-V735 HydrophobicContact CD2-CG1 4.1Å; L505-V735 HydrophobicContact CD2-CG2 4.11Å; L505-L744 HydrophobicContact CD1-CD2 3.7Å; L505-L755 HydrophobicContact CD2-CB 4.32Å; L505-L755 WeakPolarHBondContact CD2-O 3.06Å; L505-F759 HydrophobicContact CD2-CB 3.97Å |
| 506 | K | 85 | Confident | 88.7 | Confident | 184 Ų | 184 | 36 Ų | 36 | 80% | 0.8 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -77.6 | -35.5 | -174.8 | -173.9 | 175.1 | -179.3 | 179.4 | 0 | 114.1 | L502 P503 | L502-K506 WeakPolarHBondContact O-CB 3.34Å; L502-K506 PolarHBondContact O-N 3.22Å; P503-K506 PolarHBondContact O-N 3.21Å |
| 507 | T | 85.5 | Confident | 89 | Confident | 72 Ų | 72 | 36.4 Ų | 36.4 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -117.2 | -6.3 | -169.8 | 66.4 | 0 | 0 | 0 | 0 | 113.8 | P503 K509 | P503-T507 PolarHBondContact O-N 3.16Å; P503-T507 PolarHBondContact O-OG1 2.89Å; T507-K509 WeakPolarHBondContact O-CG 3.32Å; T507-K509 PolarHBondContact O-N 3.14Å; T507-K509 VanDerWaalsContact O-N 3.16Å; T507-K509 PolarHBondContact OG1-N 3.35Å; T507-K509 PolarHBondContact OG1-O 3.11Å |
| 508 | S | 90.9 | Very high | 89.4 | Confident | 30 Ų | 30 | 36 Ų | 36 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 52.5 | 32.4 | -171.8 | -37.8 | 0 | 0 | 0 | 0 | 111.8 | M504 R765 | M504-S508 WeakPolarHBondContact O-CA 3.44Å; M504-S508 PolarHBondContact O-N 3.33Å; S508-R765 PolarHBondContact O-NH1 3.17Å |
| 509 | K | 88.7 | Confident | 90.1 | Very high | 121 Ų | 121 | 32.9 Ų | 32.9 | 53% | 0.526 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -143.2 | 149.5 | -178.9 | -66.3 | 177.7 | -174.4 | -178.1 | 0 | 109 | M504 T507 R765 | M504-K509 WeakPolarHBondContact CA-O 3.46Å; T507-K509 WeakPolarHBondContact O-CG 3.32Å; T507-K509 PolarHBondContact O-N 3.14Å; T507-K509 VanDerWaalsContact O-N 3.16Å; T507-K509 PolarHBondContact OG1-N 3.35Å; T507-K509 PolarHBondContact OG1-O 3.11Å; K509-R765 VanDerWaalsContact CG-NH1 3.3Å |
| 510 | E | 88.7 | Confident | 90.5 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 12% | 0.121 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 145.3 | 169.6 | -170.1 | -176 | 172.8 | 0 | 0 | 111 | M504 S1105 W1106 T1107 | M504-E510 HydrophobicContact CE-CB 4.23Å; M504-E510 HydrophobicContact CE-CG 3.84Å; E510-S1105 WeakPolarHBondContact OE2-CB 3.34Å; E510-W1106 PolarHBondContact OE1-N 3.18Å; E510-T1107 VanDerWaalsContact CD-OG1 3.28Å; E510-T1107 WeakPolarHBondContact OE1-CB 3.19Å; E510-T1107 PolarHBondContact OE1-N 3.14Å; E510-T1107 PolarHBondContact OE1-OG1 2.65Å; E510-T1107 PolarHBondContact OE2-OG1 3.47Å |
| 511 | A | 87 | Confident | 90.6 | Very high | 14 Ų | 14 | 32.1 Ų | 32.1 | 12% | 0.116 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 143.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L499 P503 W1106 | L499-A511 WeakPolarHBondContact O-CB 3.2Å; P503-A511 HydrophobicContact CB-CB 3.78Å; P503-A511 HydrophobicContact CG-CB 3.99Å; A511-W1106 PolarHBondContact O-N 3.26Å |
| 512 | L | 90 | Very high | 90.7 | Very high | 66 Ų | 66 | 32.2 Ų | 32.2 | 35% | 0.346 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 137.6 | 169.3 | -60.4 | -179.9 | 0 | 0 | 0 | 110.6 | E1014 S1104 H1180 | L512-E1014 VanDerWaalsContact CD2-OE2 3.28Å; L512-E1014 WeakPolarHBondContact CD2-OE2 3.23Å; L512-S1104 CarbonylContact C-O 3.54Å; L512-S1104 WeakPolarHBondContact CA-O 3.47Å; L512-H1180 PolarHBondContact O-NE2 3.47Å |
| 513 | G | 92 | Very high | 91 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | -172 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1103 S1104 H1180 | G513-A1103 WeakPolarHBondContact O-CA 3.22Å; G513-S1104 PolarHBondContact N-O 2.98Å; G513-S1104 PolarHBondContact O-N 3.29Å; G513-H1180 PolarHBondContact O-ND1 3.29Å |
| 514 | S | 94.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | trans | -158 | 168.6 | 172.5 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | G1102 R1177 C1179 H1180 | S514-G1102 VanDerWaalsContact CB-O 3.29Å; S514-G1102 WeakPolarHBondContact CB-O 3.37Å; S514-R1177 PolarHBondContact OG-O 2.73Å; S514-C1179 PolarHBondContact OG-N 2.69Å; S514-C1179 VanDerWaalsContact OG-N 3.11Å; S514-H1180 PolarHBondContact OG-ND1 3.38Å | ||
| 515 | M | 94.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.044 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 67.7 | 177.1 | -163.7 | -56.7 | -59 | -53.8 | 0 | 0 | 112.9 | T1101 T1165 M1175 R1177 | M515-T1101 PolarHBondContact N-O 3.43Å; M515-T1165 HydrophobicContact CE-CG2 3.69Å; M515-M1175 HydrophobicContact CB-CE 4.13Å; M515-M1175 HydrophobicContact CE-CE 3.95Å; M515-M1175 HydrophobicContact CE-SD 3.58Å; M515-M1175 VanDerWaalsContact CE-SD 3.58Å; M515-M1175 HydrophobicContact CG-CE 4.05Å; M515-M1175 HydrophobicContact CG-SD 4.27Å; M515-M1175 HydrophobicContact SD-SD 4.35Å; M515-R1177 HydrophobicContact CB-CG 4.2Å; M515-R1177 HydrophobicContact CG-CG 3.97Å |
| 516 | G | 91.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -92.9 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D518 G1099 | G516-D518 PolarHBondContact O-N 2.8Å; G516-G1099 WeakPolarHBondContact CA-O 3.4Å | ||
| 517 | N | 94 | Very high | 91.1 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.064 | 13% | 0.127 | C | C | . | . | trans | -76.2 | 107.8 | 171.9 | -173.6 | 20.4 | 0 | 0 | 0 | 110.1 | A519 D1098 I1109 K1110 | N517-A519 PolarHBondContact OD1-N 3.43Å; N517-D1098 WeakPolarHBondContact O-CA 3.15Å; N517-D1098 WeakPolarHBondContact O-CB 3.42Å; N517-I1109 HydrophobicContact CB-CG2 4.36Å; N517-I1109 WeakPolarHBondContact CB-O 3.32Å; N517-K1110 HydrophobicContact CB-CD 4.44Å; N517-K1110 PolarHBondContact OD1-NZ 2.91Å | ||
| 518 | D | 94.4 | Very high | 91.2 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | trans | -111.8 | 11.4 | 178.1 | 69.9 | -25.8 | 0 | 0 | 0 | 113 | G516 H862 M863 N864 R1177 | G516-D518 PolarHBondContact O-N 2.8Å; D518-H862 CarbonylContact O-C 3.58Å; D518-H862 VanDerWaalsContact O-CA 3.27Å; D518-H862 WeakPolarHBondContact O-CA 3.45Å; D518-H862 IonicContact OD1-CE1 3.69Å; D518-H862 IonicContact OD1-CG 3.93Å; D518-H862 IonicContact OD1-ND1 2.68Å; D518-H862 PolarHBondContact OD1-ND1 3.29Å; D518-H862 IonicContact OD2-ND1 3.74Å; D518-M863 HydrophobicContact CB-CB 4.05Å; D518-M863 HydrophobicContact CB-CG 4.49Å; D518-M863 PolarHBondContact O-N 2.68Å; D518-N864 VanDerWaalsContact OD2-CB 3.3Å; D518-N864 WeakPolarHBondContact OD2-CB 3.25Å; D518-N864 PolarHBondContact OD2-N 2.98Å; D518-N864 PolarHBondContact OD2-ND2 3.07Å; D518-R1177 IonicContact OD1-CZ 2.66Å; D518-R1177 IonicContact OD1-NH1 3.04Å; D518-R1177 PolarHBondContact OD1-NH1 3.33Å; D518-R1177 IonicContact OD1-NH2 2.78Å; D518-R1177 PolarHBondContact OD1-NH2 3.02Å; D518-R1177 IonicContact OD2-CZ 2.64Å; D518-R1177 IonicContact OD2-NH2 3.63Å; D518-R1177 PolarHBondContact OD2-NH2 3.46Å | ||
| 519 | A | 93.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -81.6 | 160.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | N517 E860 | N517-A519 PolarHBondContact OD1-N 3.43Å; A519-E860 HydrophobicContact CB-CG 4.48Å |
| 520 | P | 93.4 | Very high | 91.3 | Very high | 13 Ų | 13 | 15.4 Ų | 15.4 | 8% | 0.084 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 148.7 | 175.5 | -23.7 | 29.4 | 0 | 0 | 0 | 113.3 | L524 E860 N861 C898 | P520-L524 HydrophobicContact CB-CB 4.23Å; P520-E860 HydrophobicContact CG-CG 4.3Å; P520-N861 WeakPolarHBondContact CD-O 3.3Å; P520-N861 HydrophobicContact CG-CB 4.18Å; P520-C898 WeakPolarHBondContact CA-O 3.23Å; P520-C898 HydrophobicContact CG-CB 4.34Å |
| 521 | L | 93.3 | Very high | 91.7 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 7% | 0.073 | 8% | 0.079 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 148.5 | 159 | -60.2 | 171.8 | 0 | 0 | 0 | 109.6 | C523 L524 S525 V791 C898 L900 P1115 | L521-C523 PolarHBondContact O-N 3.08Å; L521-C523 VanDerWaalsContact O-N 3.09Å; L521-L524 HydrophobicContact CB-CD1 4.37Å; L521-L524 HydrophobicContact CB-CG 4.42Å; L521-L524 HydrophobicContact CD1-CD1 4.28Å; L521-L524 WeakPolarHBondContact O-CA 3.44Å; L521-L524 PolarHBondContact O-N 2.97Å; L521-S525 PolarHBondContact O-N 3.15Å; L521-V791 HydrophobicContact CD1-CG1 4.2Å; L521-C898 PolarHBondContact N-O 3.01Å; L521-L900 HydrophobicContact CD1-CD1 4.39Å; L521-L900 HydrophobicContact CD1-CD2 3.96Å; L521-L900 HydrophobicContact CD1-CG 3.79Å; L521-P1115 HydrophobicContact CD1-CG 3.61Å; L521-P1115 HydrophobicContact CD2-CG 3.92Å; L521-P1115 HydrophobicContact CG-CG 4.36Å |
| 522 | A | 93.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 7% | 0.074 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -35 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | L524 P529 D533 Y534 K1249 | A522-L524 VanDerWaalsContact C-N 3.25Å; A522-L524 PolarHBondContact O-N 3.21Å; A522-P529 HydrophobicContact CB-CB 4.03Å; A522-P529 HydrophobicContact CB-CG 3.95Å; A522-D533 HydrophobicContact CB-CB 4.02Å; A522-Y534 HydrophobicContact CB-CD1 3.89Å; A522-Y534 HydrophobicContact CB-CD2 3.8Å; A522-Y534 HydrophobicContact CB-CE1 3.83Å; A522-Y534 HydrophobicContact CB-CE2 3.74Å; A522-Y534 HydrophobicContact CB-CG 3.88Å; A522-Y534 PolarHBondContact O-OH 3.47Å; A522-K1249 PolarHBondContact O-NZ 2.99Å |
| 523 | C | 93.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -8 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 115.5 | L521 Y534 K1249 I1253 | L521-C523 PolarHBondContact O-N 3.08Å; L521-C523 VanDerWaalsContact O-N 3.09Å; C523-Y534 HydrophobicContact CB-CE1 4.13Å; C523-K1249 WeakPolarHBondContact O-CB 3.36Å; C523-I1253 HydrophobicContact CB-CD1 4.13Å |
| 524 | L | 93.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113 | -21.9 | 176.1 | -61.9 | 177.9 | 0 | 0 | 0 | 112.8 | P520 L521 A522 E526 T899 L900 Q903 I1253 | P520-L524 HydrophobicContact CB-CB 4.23Å; L521-L524 HydrophobicContact CB-CD1 4.37Å; L521-L524 HydrophobicContact CB-CG 4.42Å; L521-L524 HydrophobicContact CD1-CD1 4.28Å; L521-L524 WeakPolarHBondContact O-CA 3.44Å; L521-L524 PolarHBondContact O-N 2.97Å; A522-L524 VanDerWaalsContact C-N 3.25Å; A522-L524 PolarHBondContact O-N 3.21Å; L524-E526 PolarHBondContact O-N 3.21Å; L524-T899 VanDerWaalsContact CD1-O 3.31Å; L524-T899 WeakPolarHBondContact CD1-O 3.47Å; L524-L900 HydrophobicContact CD1-CD2 4.47Å; L524-Q903 HydrophobicContact CD2-CG 3.9Å; L524-I1253 HydrophobicContact CD2-CD1 3.55Å; L524-I1253 HydrophobicContact CG-CD1 4.31Å |
| 525 | S | 91.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | trans | -52.9 | 134.7 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | L521 Q527 E860 K1249 | L521-S525 PolarHBondContact O-N 3.15Å; S525-Q527 VanDerWaalsContact C-N 3.26Å; S525-Q527 WeakPolarHBondContact OG-CB 3.36Å; S525-Q527 PolarHBondContact OG-N 3.01Å; S525-E860 WeakPolarHBondContact CB-OE2 3.44Å; S525-E860 PolarHBondContact OG-OE2 3.26Å; S525-K1249 WeakPolarHBondContact O-CE 3.5Å; S525-K1249 PolarHBondContact O-NZ 3.37Å | ||
| 526 | E | 85.8 | Confident | 92.9 | Very high | 66 Ų | 66 | 12.7 Ų | 12.7 | 31% | 0.308 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -80.3 | -13.2 | 170 | -75.2 | 179.8 | -156.4 | 0 | 0 | 112.3 | L524 H897 T1247 K2154 | L524-E526 PolarHBondContact O-N 3.21Å; E526-H897 IonicContact OE1-CE1 3.9Å; E526-H897 PolarHBondContact OE1-CE1 3.12Å; E526-H897 IonicContact OE1-ND1 3.39Å; E526-H897 PolarHBondContact OE1-ND1 3.21Å; E526-H897 VanDerWaalsContact OE1-ND1 3.16Å; E526-T1247 HydrophobicContact CG-CG2 3.8Å; E526-K2154 IonicContact OE2-NZ 3.69Å; E526-K2154 PolarHBondContact OE2-NZ 3.24Å; E526-K2154 VanDerWaalsContact OE2-NZ 3.1Å |
| 527 | Q | 84.9 | Confident | 93.1 | Very high | 20 Ų | 20 | 12.8 Ų | 12.8 | 9% | 0.093 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -81.3 | -177.2 | 176.2 | -52.1 | -60.1 | -26.4 | 0 | 0 | 110.6 | S525 P529 F852 G859 E860 K1249 | S525-Q527 VanDerWaalsContact C-N 3.26Å; S525-Q527 WeakPolarHBondContact OG-CB 3.36Å; S525-Q527 PolarHBondContact OG-N 3.01Å; Q527-P529 WeakPolarHBondContact O-CD 3.24Å; Q527-F852 HydrophobicContact CB-CE1 4.04Å; Q527-F852 HydrophobicContact CB-CZ 4.22Å; Q527-F852 HydrophobicContact CG-CE1 4.24Å; Q527-G859 PolarHBondContact NE2-O 3.43Å; Q527-E860 HydrophobicContact CG-CB 4.34Å; Q527-E860 WeakPolarHBondContact CG-OE2 3.26Å; Q527-K1249 PolarHBondContact O-NZ 3.05Å |
| 528 | N | 85.9 | Confident | 93.2 | Very high | 30 Ų | 30 | 13.1 Ų | 13.1 | 16% | 0.16 | 7% | 0.07 | C | C | . | . | trans | -103.8 | 78.6 | 177.9 | -57.1 | -32.3 | 0 | 0 | 0 | 110.2 | E820 S823 R824 T2155 | N528-E820 HydrophobicContact CB-CB 4.13Å; N528-E820 HydrophobicContact CB-CG 4.29Å; N528-S823 VanDerWaalsContact ND2-CB 3.28Å; N528-S823 WeakPolarHBondContact ND2-CB 3.25Å; N528-S823 PolarHBondContact ND2-OG 2.8Å; N528-R824 HydrophobicContact CB-CG 4.1Å; N528-R824 PolarHBondContact O-NH1 2.8Å; N528-T2155 VanDerWaalsContact ND2-CG2 3.31Å; N528-T2155 WeakPolarHBondContact ND2-CG2 3.49Å | ||
| 529 | P | 89.8 | Confident | 93.2 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 5% | 0.045 | 7% | 0.07 | C | C | . | . | trans | -60.6 | 163.5 | 175.6 | 27.6 | -35.3 | 0 | 0 | 0 | 111.8 | A522 Q527 D533 Y534 R824 | A522-P529 HydrophobicContact CB-CB 4.03Å; A522-P529 HydrophobicContact CB-CG 3.95Å; Q527-P529 WeakPolarHBondContact O-CD 3.24Å; P529-D533 HydrophobicContact CB-CB 4.13Å; P529-Y534 HydrophobicContact CB-CE2 4.49Å; P529-Y534 HydrophobicContact CG-CE2 3.99Å; P529-R824 PolarHBondContact O-NH1 3.31Å | ||
| 530 | H | 93.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 12.9 Ų | 12.9 | 7% | 0.065 | 7% | 0.068 | C | C | . | . | trans | -81.7 | 158.7 | 170.2 | -69.2 | -78.8 | 0 | 0 | 0 | 110.3 | F490 F532 D533 Y534 E708 K710 | F490-H530 PolarHBondContact O-CE1 3.41Å; F490-H530 PolarHBondContact O-NE2 3.26Å; H530-F532 HydrophobicContact CB-CB 4.31Å; H530-F532 HydrophobicContact CB-CD2 3.8Å; H530-F532 HydrophobicContact CB-CG 4.49Å; H530-F532 PolarHBondContact O-N 2.84Å; H530-F532 VanDerWaalsContact O-N 3.16Å; H530-D533 PolarHBondContact N-OD2 2.97Å; H530-D533 WeakPolarHBondContact O-CB 3.22Å; H530-D533 PolarHBondContact O-N 3.01Å; H530-Y534 WeakPolarHBondContact O-CD2 3.27Å; H530-E708 IonicContact CE1-OE1 2.97Å; H530-E708 IonicContact CG-OE1 3.56Å; H530-E708 IonicContact ND1-OE1 3.77Å; H530-E708 PolarHBondContact ND1-OE1 2.81Å; H530-K710 PolarHBondContact NE2-NZ 3.5Å | ||
| 531 | V | 96.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.024 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -59.1 | -29.2 | 174.3 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | D533 Y534 F535 P679 L681 L682 F802 L817 | V531-D533 VanDerWaalsContact C-N 3.3Å; V531-D533 PolarHBondContact O-N 3.42Å; V531-Y534 PolarHBondContact O-N 3.47Å; V531-F535 HydrophobicContact CG1-CE2 4.17Å; V531-F535 WeakPolarHBondContact O-CD2 3.24Å; V531-P679 HydrophobicContact CG2-CB 3.67Å; V531-P679 HydrophobicContact CG2-CG 3.99Å; V531-L681 HydrophobicContact CG1-CD2 4.17Å; V531-L682 HydrophobicContact CG1-CD2 4.09Å; V531-L682 HydrophobicContact CG1-CG 4.22Å; V531-L682 HydrophobicContact CG2-CD1 4.15Å; V531-L682 HydrophobicContact CG2-CG 4.19Å; V531-F802 HydrophobicContact CG1-CE2 4.48Å; V531-F802 HydrophobicContact CG1-CZ 4.39Å; V531-L817 HydrophobicContact CG2-CD2 4.22Å |
| 532 | F | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -53.4 | -43.4 | 172.7 | -58.1 | -63.6 | 0 | 0 | 0 | 112.9 | H530 Y534 F535 I680 L681 E708 H713 H714 T717 L718 | H530-F532 HydrophobicContact CB-CB 4.31Å; H530-F532 HydrophobicContact CB-CD2 3.8Å; H530-F532 HydrophobicContact CB-CG 4.49Å; H530-F532 PolarHBondContact O-N 2.84Å; H530-F532 VanDerWaalsContact O-N 3.16Å; F532-Y534 PolarHBondContact O-N 2.84Å; F532-Y534 VanDerWaalsContact O-N 3.1Å; F532-F535 PolarHBondContact O-N 2.87Å; F532-I680 HydrophobicContact CZ-CG2 3.85Å; F532-L681 HydrophobicContact CD1-CB 4.27Å; F532-L681 HydrophobicContact CD1-CD2 3.65Å; F532-L681 HydrophobicContact CD1-CG 4.43Å; F532-L681 HydrophobicContact CE1-CB 3.7Å; F532-L681 HydrophobicContact CE1-CD1 4.32Å; F532-L681 HydrophobicContact CE1-CD2 3.88Å; F532-L681 HydrophobicContact CE1-CG 4.17Å; F532-L681 HydrophobicContact CZ-CB 4.1Å; F532-E708 HydrophobicContact CE2-CB 4.32Å; F532-E708 HydrophobicContact CE2-CG 3.9Å; F532-H713 PolarHBondContact O-NE2 3.43Å; F532-H714 HydrophobicContact CD1-CB 4.03Å; F532-H714 HydrophobicContact CD2-CB 4.15Å; F532-H714 AromaticContact CD2-CD2 3.77Å; F532-H714 AromaticContact CD2-CE1 3.97Å; F532-H714 AromaticContact CD2-CG 3.64Å; F532-H714 AromaticContact CD2-ND1 3.74Å; F532-H714 AromaticContact CD2-NE2 4Å; F532-H714 HydrophobicContact CE1-CB 4.01Å; F532-H714 HydrophobicContact CE2-CB 4.17Å; F532-H714 HydrophobicContact CG-CB 4.1Å; F532-H714 AromaticContact CG-CD2 3.6Å; F532-H714 AromaticContact CG-CG 3.76Å; F532-H714 HydrophobicContact CZ-CB 4.1Å; F532-T717 WeakPolarHBondContact CD1-OG1 3.24Å; F532-L718 HydrophobicContact CE1-CG 4.09Å; F532-L718 HydrophobicContact CZ-CD1 4.47Å; F532-L718 HydrophobicContact CZ-CG 4.44Å |
| 533 | D | 95.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 11.9 Ų | 11.9 | 23% | 0.225 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -68.8 | -13.3 | -173 | -57.6 | -48.8 | 0 | 0 | 0 | 113.5 | A522 P529 H530 V531 F535 Q536 H1111 | A522-D533 HydrophobicContact CB-CB 4.02Å; P529-D533 HydrophobicContact CB-CB 4.13Å; H530-D533 PolarHBondContact N-OD2 2.97Å; H530-D533 WeakPolarHBondContact O-CB 3.22Å; H530-D533 PolarHBondContact O-N 3.01Å; V531-D533 VanDerWaalsContact C-N 3.3Å; V531-D533 PolarHBondContact O-N 3.42Å; D533-F535 VanDerWaalsContact C-N 3.31Å; D533-Q536 PolarHBondContact O-NE2 3.01Å; D533-H1111 IonicContact OD1-CE1 3.73Å |
| 534 | Y | 96.8 | Very high | 92 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -79 | -16.3 | 173.7 | -69.4 | -96.5 | 0 | 0 | 0 | 112.5 | A522 C523 P529 H530 V531 F532 A790 V791 G792 L793 A812 L817 | A522-Y534 HydrophobicContact CB-CD1 3.89Å; A522-Y534 HydrophobicContact CB-CD2 3.8Å; A522-Y534 HydrophobicContact CB-CE1 3.83Å; A522-Y534 HydrophobicContact CB-CE2 3.74Å; A522-Y534 HydrophobicContact CB-CG 3.88Å; A522-Y534 PolarHBondContact O-OH 3.47Å; C523-Y534 HydrophobicContact CB-CE1 4.13Å; P529-Y534 HydrophobicContact CB-CE2 4.49Å; P529-Y534 HydrophobicContact CG-CE2 3.99Å; H530-Y534 WeakPolarHBondContact O-CD2 3.27Å; V531-Y534 PolarHBondContact O-N 3.47Å; F532-Y534 PolarHBondContact O-N 2.84Å; F532-Y534 VanDerWaalsContact O-N 3.1Å; Y534-A790 CarbonylContact O-C 3.29Å; Y534-A790 WeakPolarHBondContact O-CA 3.35Å; Y534-V791 WeakPolarHBondContact CD1-O 3.45Å; Y534-V791 PolarHBondContact O-N 3.26Å; Y534-G792 WeakPolarHBondContact CE1-O 3.25Å; Y534-L793 HydrophobicContact CD1-CD2 3.74Å; Y534-L793 HydrophobicContact CD1-CG 3.85Å; Y534-L793 HydrophobicContact CD2-CD2 4.31Å; Y534-L793 HydrophobicContact CE1-CD2 4.17Å; Y534-L793 HydrophobicContact CG-CD1 4.43Å; Y534-L793 HydrophobicContact CG-CD2 3.81Å; Y534-L793 HydrophobicContact CG-CG 3.91Å; Y534-A812 HydrophobicContact CE1-CB 3.93Å; Y534-L817 HydrophobicContact CE2-CD2 4.4Å |
| 535 | F | 97.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 131.5 | -179.9 | -67.7 | -81.5 | 0 | 0 | 0 | 110.8 | V531 F532 D533 L681 H713 T717 F721 F788 E789 A790 L793 F802 | V531-F535 HydrophobicContact CG1-CE2 4.17Å; V531-F535 WeakPolarHBondContact O-CD2 3.24Å; F532-F535 PolarHBondContact O-N 2.87Å; D533-F535 VanDerWaalsContact C-N 3.31Å; F535-L681 HydrophobicContact CD2-CD2 3.86Å; F535-L681 HydrophobicContact CE2-CD2 3.67Å; F535-H713 PolarHBondContact O-CE1 3.26Å; F535-H713 PolarHBondContact O-NE2 2.75Å; F535-T717 HydrophobicContact CB-CG2 3.99Å; F535-T717 HydrophobicContact CG-CG2 4.46Å; F535-F721 AromaticContact CD1-CE2 3.71Å; F535-F721 HydrophobicContact CD1-CE2 3.71Å; F535-F721 AromaticContact CD1-CZ 3.68Å; F535-F721 HydrophobicContact CD1-CZ 3.68Å; F535-F721 HydrophobicContact CD2-CE2 4.44Å; F535-F721 HydrophobicContact CE1-CE1 4.33Å; F535-F721 AromaticContact CE1-CE2 3.59Å; F535-F721 HydrophobicContact CE1-CE2 3.59Å; F535-F721 AromaticContact CE1-CZ 3.31Å; F535-F721 HydrophobicContact CE1-CZ 3.31Å; F535-F721 HydrophobicContact CE2-CE2 4.35Å; F535-F721 HydrophobicContact CG-CE2 4.13Å; F535-F721 AromaticContact CZ-CE2 3.93Å; F535-F721 HydrophobicContact CZ-CE2 3.93Å; F535-F721 AromaticContact CZ-CZ 3.94Å; F535-F721 HydrophobicContact CZ-CZ 3.94Å; F535-F788 HydrophobicContact CB-CB 4.19Å; F535-F788 HydrophobicContact CB-CD1 4.24Å; F535-F788 HydrophobicContact CB-CG 4.4Å; F535-F788 HydrophobicContact CD1-CB 3.95Å; F535-F788 HydrophobicContact CG-CB 4.48Å; F535-E789 CarbonylContact C-O 3.2Å; F535-E789 WeakPolarHBondContact CA-O 3.37Å; F535-A790 HydrophobicContact CD1-CB 4.05Å; F535-A790 HydrophobicContact CE1-CB 3.78Å; F535-A790 HydrophobicContact CZ-CB 4.42Å; F535-L793 HydrophobicContact CE1-CD1 4.5Å; F535-L793 HydrophobicContact CE2-CD1 3.9Å; F535-L793 HydrophobicContact CZ-CD1 3.76Å; F535-F802 HydrophobicContact CE1-CD2 4.49Å; F535-F802 HydrophobicContact CE1-CG 4.44Å; F535-F802 HydrophobicContact CE2-CD2 4.46Å; F535-F802 HydrophobicContact CE2-CE2 4.08Å; F535-F802 HydrophobicContact CE2-CZ 4.14Å; F535-F802 HydrophobicContact CZ-CD1 4.15Å; F535-F802 AromaticContact CZ-CD2 3.62Å; F535-F802 HydrophobicContact CZ-CD2 3.62Å; F535-F802 HydrophobicContact CZ-CE1 4.24Å; F535-F802 AromaticContact CZ-CE2 3.68Å; F535-F802 HydrophobicContact CZ-CE2 3.68Å; F535-F802 AromaticContact CZ-CG 3.84Å; F535-F802 HydrophobicContact CZ-CG 3.84Å; F535-F802 AromaticContact CZ-CZ 4Å; F535-F802 HydrophobicContact CZ-CZ 4Å |
| 536 | Q | 96.6 | Very high | 92 | Very high | 13 Ų | 13 | 12.6 Ų | 12.6 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.9 | 174.3 | -60.1 | -60.8 | -42.6 | 0 | 0 | 108.5 | D533 L538 F788 E789 V791 H1111 L1114 | D533-Q536 PolarHBondContact O-NE2 3.01Å; Q536-L538 PolarHBondContact O-N 3.41Å; Q536-F788 CarbonylContact O-C 3.52Å; Q536-F788 WeakPolarHBondContact O-CA 3.36Å; Q536-E789 PolarHBondContact N-O 2.85Å; Q536-E789 PolarHBondContact O-N 3.42Å; Q536-V791 HydrophobicContact CG-CG2 3.96Å; Q536-H1111 PolarHBondContact OE1-O 2.74Å; Q536-L1114 HydrophobicContact CB-CD2 3.74Å; Q536-L1114 HydrophobicContact CG-CD2 3.82Å |
| 537 | Q | 96.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 9.5 Ų | 9.5 | 1% | 0.014 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129 | 179.9 | -67 | 160.4 | 32.8 | 0 | 0 | 109.9 | H713 V770 F788 H1111 A1112 | Q537-H713 PolarHBondContact NE2-ND1 3.1Å; Q537-V770 HydrophobicContact CG-CG1 4.05Å; Q537-F788 HydrophobicContact CG-CD1 4.14Å; Q537-F788 HydrophobicContact CG-CE1 3.71Å; Q537-H1111 WeakPolarHBondContact CB-O 3.42Å; Q537-H1111 WeakPolarHBondContact CG-O 3.46Å; Q537-H1111 PolarHBondContact N-O 3.11Å; Q537-A1112 HydrophobicContact CB-CB 4.26Å |
| 538 | L | 94.6 | Very high | 92.6 | Very high | 19 Ų | 19 | 8.7 Ų | 8.7 | 10% | 0.099 | 5% | 0.048 | C | C | . | . | trans | -77 | 155.4 | 167.7 | -58.9 | 176.9 | 0 | 0 | 0 | 110 | Q536 M774 I787 E789 E1074 I1075 | Q536-L538 PolarHBondContact O-N 3.41Å; L538-M774 HydrophobicContact CB-CE 3.54Å; L538-I787 HydrophobicContact CB-CG2 3.86Å; L538-I787 PolarHBondContact N-O 2.95Å; L538-E789 HydrophobicContact CD2-CB 4.09Å; L538-E1074 HydrophobicContact CD2-CB 4.4Å; L538-I1075 HydrophobicContact CD1-CG2 4.44Å; L538-I1075 HydrophobicContact CD2-CG2 3.77Å | ||
| 539 | F | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 7.6 Ų | 7.6 | 1% | 0.009 | 4% | 0.042 | C | C | . | . | trans | -144.9 | 162.8 | -179.3 | 51.3 | -90.3 | 0 | 0 | 0 | 110.4 | Q541 K773 M774 P1009 V1072 E1074 | F539-Q541 HydrophobicContact CE2-CG 4.22Å; F539-K773 HydrophobicContact CB-CB 3.97Å; F539-M774 VanDerWaalsContact C-CE 3.42Å; F539-M774 WeakPolarHBondContact O-CE 3.31Å; F539-P1009 HydrophobicContact CB-CB 4.43Å; F539-P1009 HydrophobicContact CD1-CB 3.49Å; F539-P1009 VanDerWaalsContact CD1-CB 3.49Å; F539-P1009 HydrophobicContact CD1-CG 3.37Å; F539-P1009 HydrophobicContact CD2-CB 3.57Å; F539-P1009 HydrophobicContact CD2-CG 4.4Å; F539-P1009 HydrophobicContact CE1-CB 3.51Å; F539-P1009 HydrophobicContact CE1-CG 3.4Å; F539-P1009 VanDerWaalsContact CE1-CG 3.4Å; F539-P1009 HydrophobicContact CE2-CB 3.55Å; F539-P1009 HydrophobicContact CE2-CG 4.39Å; F539-P1009 HydrophobicContact CG-CB 3.53Å; F539-P1009 HydrophobicContact CG-CG 3.92Å; F539-P1009 HydrophobicContact CZ-CB 3.54Å; F539-P1009 HydrophobicContact CZ-CG 3.94Å; F539-V1072 HydrophobicContact CE1-CG1 4.18Å; F539-V1072 HydrophobicContact CE2-CB 3.89Å; F539-V1072 HydrophobicContact CE2-CG1 4.33Å; F539-V1072 HydrophobicContact CZ-CB 3.58Å; F539-V1072 HydrophobicContact CZ-CG1 3.53Å; F539-E1074 HydrophobicContact CE1-CB 4.08Å; F539-E1074 HydrophobicContact CE1-CG 4.49Å; F539-E1074 HydrophobicContact CE2-CG 4.35Å; F539-E1074 HydrophobicContact CZ-CB 3.95Å; F539-E1074 HydrophobicContact CZ-CG 4Å; F539-E1074 PolarHBondContact N-OE2 2.96Å; F539-E1074 VanDerWaalsContact N-OE2 3.17Å; F539-E1074 VanDerWaalsContact O-OE2 3.09Å | ||
| 540 | A | 91.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 4% | 0.041 | 5% | 0.053 | C | C | . | . | trans | -85.4 | 133.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N544 K773 M774 | A540-N544 VanDerWaalsContact CB-ND2 3.27Å; A540-N544 WeakPolarHBondContact CB-ND2 3.32Å; A540-N544 WeakPolarHBondContact CB-O 3.17Å; A540-K773 WeakPolarHBondContact CB-O 3.32Å; A540-K773 PolarHBondContact N-O 3.07Å; A540-M774 HydrophobicContact CB-SD 4.13Å | ||
| 541 | Q | 90 | Very high | 92.5 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 1% | 0.014 | 6% | 0.055 | C | C | . | . | trans | -144.8 | 126.5 | 167.6 | 55.5 | -176.3 | -15.1 | 0 | 0 | 110.2 | F539 T543 V1072 E1074 | F539-Q541 HydrophobicContact CE2-CG 4.22Å; Q541-T543 PolarHBondContact O-N 3.25Å; Q541-T543 PolarHBondContact O-OG1 2.83Å; Q541-V1072 PolarHBondContact NE2-O 2.77Å; Q541-V1072 PolarHBondContact OE1-O 3.48Å; Q541-E1074 VanDerWaalsContact CG-OE1 3.3Å; Q541-E1074 WeakPolarHBondContact CG-OE1 3.45Å; Q541-E1074 PolarHBondContact NE2-OE1 2.96Å | ||
| 542 | V | 89.2 | Confident | 92.1 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.006 | 5% | 0.054 | C | C | . | . | S | Bend | trans | 67.7 | -58.3 | 177.5 | -173.9 | 0 | 0 | 0 | 0 | 114.7 | N544 M1003 S1047 I1048 L1051 L1071 V1080 V1084 | V542-N544 PolarHBondContact O-N 2.9Å; V542-M1003 HydrophobicContact CG2-CE 3.95Å; V542-M1003 HydrophobicContact CG2-CG 3.84Å; V542-M1003 HydrophobicContact CG2-SD 4.32Å; V542-S1047 CarbonylContact O-C 3.43Å; V542-S1047 VanDerWaalsContact O-CA 3.27Å; V542-S1047 WeakPolarHBondContact O-CA 3.34Å; V542-I1048 HydrophobicContact CG1-CB 4.16Å; V542-I1048 HydrophobicContact CG1-CD1 3.33Å; V542-I1048 HydrophobicContact CG1-CG1 4.33Å; V542-L1051 HydrophobicContact CB-CD2 4.43Å; V542-L1051 HydrophobicContact CG1-CB 4.21Å; V542-L1051 HydrophobicContact CG1-CD2 3.59Å; V542-L1051 HydrophobicContact CG2-CD2 3.91Å; V542-L1071 HydrophobicContact CG2-CD2 3.79Å; V542-V1080 HydrophobicContact CB-CG1 3.75Å; V542-V1080 HydrophobicContact CG1-CG1 4.41Å; V542-V1080 HydrophobicContact CG2-CG1 3.71Å; V542-V1084 HydrophobicContact CG2-CG2 4.27Å |
| 543 | T | 82.7 | Confident | 91.7 | Very high | 11 Ų | 11 | 16.3 Ų | 16.3 | 7% | 0.067 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -61 | -44.2 | -174.1 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | H21 T236 Q541 V1080 | H21-T543 HydrophobicContact CB-CG2 3.46Å; H21-T543 VanDerWaalsContact CB-CG2 3.46Å; T236-T543 HydrophobicContact CG2-CG2 3.9Å; Q541-T543 PolarHBondContact O-N 3.25Å; Q541-T543 PolarHBondContact O-OG1 2.83Å; T543-V1080 HydrophobicContact CG2-CG2 4.05Å |
| 544 | N | 88.2 | Confident | 91.3 | Very high | 7 Ų | 7 | 16.7 Ų | 16.7 | 4% | 0.037 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -138.5 | 162.9 | 170.2 | 66.5 | -64.9 | 0 | 0 | 0 | 110.2 | E256 P359 A540 V542 M774 | E256-N544 HydrophobicContact CB-CB 4.36Å; P359-N544 HydrophobicContact CG-CB 3.72Å; A540-N544 VanDerWaalsContact CB-ND2 3.27Å; A540-N544 WeakPolarHBondContact CB-ND2 3.32Å; A540-N544 WeakPolarHBondContact CB-O 3.17Å; V542-N544 PolarHBondContact O-N 2.9Å; N544-M774 PolarHBondContact ND2-O 3.06Å |
| 545 | P | 91.8 | Very high | 91 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.019 | 8% | 0.079 | C | C | . | . | trans | -92.5 | 148.8 | 177.3 | 35.4 | -30.9 | 0 | 0 | 0 | 112.4 | P359 L379 G775 P1041 Y1046 | P359-P545 HydrophobicContact CG-CG 4.24Å; L379-P545 HydrophobicContact CD1-CG 3.97Å; L379-P545 HydrophobicContact CD2-CG 4.31Å; P545-G775 WeakPolarHBondContact O-CA 3.32Å; P545-P1041 HydrophobicContact CB-CB 3.77Å; P545-Y1046 HydrophobicContact CB-CD1 3.54Å; P545-Y1046 HydrophobicContact CB-CE1 4.05Å; P545-Y1046 HydrophobicContact CB-CG 4.48Å; P545-Y1046 HydrophobicContact CG-CD1 3.5Å; P545-Y1046 VanDerWaalsContact CG-CD1 3.5Å; P545-Y1046 HydrophobicContact CG-CE1 4.12Å; P545-Y1046 HydrophobicContact CG-CG 4.04Å | ||
| 546 | P | 93.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 17.3 Ų | 17.3 | 8% | 0.084 | 8% | 0.08 | C | C | . | . | trans | -68 | 167.4 | 159.3 | 30.9 | -35.4 | 0 | 0 | 0 | 111.3 | A772 P1040 P1041 | P546-A772 CarbonylContact C-O 3.56Å; P546-A772 WeakPolarHBondContact CA-O 3.44Å; P546-A772 VanDerWaalsContact CB-O 3.27Å; P546-A772 WeakPolarHBondContact CB-O 3.42Å; P546-P1040 HydrophobicContact CB-CB 3.99Å; P546-P1040 HydrophobicContact CG-CB 3.87Å; P546-P1041 HydrophobicContact CG-CB 4.07Å; P546-P1041 WeakPolarHBondContact O-CB 3.4Å; P546-P1041 WeakPolarHBondContact O-CD 3.23Å; P546-P1041 VanDerWaalsContact O-CG 3.26Å; P546-P1041 WeakPolarHBondContact O-CG 3.44Å | ||
| 547 | I | 91.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 8% | 0.08 | C | C | . | . | trans | -113.4 | 154.3 | 179.6 | -65.6 | 165.9 | 0 | 0 | 0 | 109.8 | N377 P549 E552 M556 A772 G775 S777 P1040 | N377-I547 WeakPolarHBondContact ND2-CD1 3.49Å; I547-P549 WeakPolarHBondContact O-CD 3.44Å; I547-E552 HydrophobicContact CG2-CB 4.05Å; I547-M556 HydrophobicContact CG2-CG 4.25Å; I547-M556 HydrophobicContact CG2-SD 3.91Å; I547-A772 HydrophobicContact CB-CB 4.28Å; I547-A772 PolarHBondContact N-O 3.33Å; I547-A772 WeakPolarHBondContact O-CB 3.36Å; I547-G775 VanDerWaalsContact CD1-C 3.47Å; I547-G775 VanDerWaalsContact CD1-O 3.23Å; I547-G775 WeakPolarHBondContact CD1-O 3.27Å; I547-S777 VanDerWaalsContact CD1-OG 3.26Å; I547-S777 WeakPolarHBondContact CD1-OG 3.45Å; I547-P1040 WeakPolarHBondContact O-CG 3.49Å | ||
| 548 | D | 91.4 | Very high | 90.5 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | trans | -84.8 | 111.5 | 164.5 | -169.7 | -55.1 | 0 | 0 | 0 | 111 | F550 R551 E552 P1040 Y1469 | D548-F550 PolarHBondContact O-N 2.78Å; D548-F550 VanDerWaalsContact O-N 3.08Å; D548-F550 WeakPolarHBondContact OD1-CA 3.16Å; D548-F550 PolarHBondContact OD1-N 3.47Å; D548-R551 HydrophobicContact CB-CB 4.26Å; D548-R551 VanDerWaalsContact CG-CD 3.44Å; D548-R551 WeakPolarHBondContact OD1-CD 3.33Å; D548-R551 PolarHBondContact OD1-N 3.4Å; D548-R551 IonicContact OD1-NH1 2.78Å; D548-R551 WeakPolarHBondContact OD2-CD 3.47Å; D548-R551 IonicContact OD2-NH1 3.95Å; D548-R551 PolarHBondContact OD2-NH1 2.95Å; D548-E552 HydrophobicContact CB-CG 4.4Å; D548-E552 WeakPolarHBondContact O-CA 3.31Å; D548-E552 VanDerWaalsContact O-CB 3.32Å; D548-E552 WeakPolarHBondContact O-CB 3.42Å; D548-E552 PolarHBondContact O-N 3.2Å; D548-P1040 HydrophobicContact CB-CG 4.31Å; D548-Y1469 WeakPolarHBondContact CB-OH 3.47Å; D548-Y1469 PolarHBondContact OD2-OH 2.65Å | ||
| 549 | P | 90.5 | Very high | 90.5 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.039 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.1 | -174.4 | 30.6 | -38 | 0 | 0 | 0 | 115.1 | I547 M556 L768 K769 A772 | I547-P549 WeakPolarHBondContact O-CD 3.44Å; P549-M556 WeakPolarHBondContact CA-SD 3.36Å; P549-M556 HydrophobicContact CB-SD 3.77Å; P549-L768 HydrophobicContact CB-CB 4Å; P549-K769 HydrophobicContact CG-CB 4.46Å; P549-K769 HydrophobicContact CG-CG 4.47Å; P549-A772 HydrophobicContact CB-CB 3.99Å; P549-A772 HydrophobicContact CG-CB 4.19Å |
| 550 | F | 87 | Confident | 90.4 | Very high | 61 Ų | 61 | 19.5 Ų | 19.5 | 27% | 0.268 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -49.7 | -176.5 | -49.1 | -59.3 | 0 | 0 | 0 | 111.3 | D548 R553 R765 | D548-F550 PolarHBondContact O-N 2.78Å; D548-F550 VanDerWaalsContact O-N 3.08Å; D548-F550 WeakPolarHBondContact OD1-CA 3.16Å; D548-F550 PolarHBondContact OD1-N 3.47Å; F550-R553 WeakPolarHBondContact O-CB 3.33Å; F550-R553 PolarHBondContact O-N 2.93Å; F550-R765 HydrophobicContact CE1-CB 4.05Å; F550-R765 HydrophobicContact CE1-CG 4.03Å |
| 551 | R | 88.7 | Confident | 90.5 | Very high | 29 Ų | 29 | 19.3 Ų | 19.3 | 11% | 0.109 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.2 | -179.4 | -73.5 | 83.2 | -147.3 | 174.8 | 0.4 | 111.5 | D548 Y1469 N1484 A1487 | D548-R551 HydrophobicContact CB-CB 4.26Å; D548-R551 VanDerWaalsContact CG-CD 3.44Å; D548-R551 WeakPolarHBondContact OD1-CD 3.33Å; D548-R551 PolarHBondContact OD1-N 3.4Å; D548-R551 IonicContact OD1-NH1 2.78Å; D548-R551 WeakPolarHBondContact OD2-CD 3.47Å; D548-R551 IonicContact OD2-NH1 3.95Å; D548-R551 PolarHBondContact OD2-NH1 2.95Å; R551-Y1469 WeakPolarHBondContact CD-OH 3.43Å; R551-Y1469 HydrophobicContact CG-CE1 4.01Å; R551-N1484 PolarHBondContact O-ND2 3.19Å; R551-N1484 PolarHBondContact O-OD1 2.64Å; R551-A1487 HydrophobicContact CB-CB 4.25Å |
| 552 | E | 88.3 | Confident | 90.7 | Very high | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.019 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | 24.9 | 175 | -52.5 | -175.5 | -179.1 | 0 | 0 | 111.2 | I547 D548 I554 V555 H1043 R1447 | I547-E552 HydrophobicContact CG2-CB 4.05Å; D548-E552 HydrophobicContact CB-CG 4.4Å; D548-E552 WeakPolarHBondContact O-CA 3.31Å; D548-E552 VanDerWaalsContact O-CB 3.32Å; D548-E552 WeakPolarHBondContact O-CB 3.42Å; D548-E552 PolarHBondContact O-N 3.2Å; E552-I554 PolarHBondContact O-N 3.47Å; E552-V555 HydrophobicContact CB-CG2 4.19Å; E552-V555 WeakPolarHBondContact O-CG2 3.45Å; E552-V555 PolarHBondContact O-N 3.45Å; E552-H1043 IonicContact OE1-CE1 3.12Å; E552-R1447 IonicContact OE1-CZ 2.74Å; E552-R1447 IonicContact OE1-NE 3.75Å; E552-R1447 IonicContact OE1-NH2 3.58Å; E552-R1447 PolarHBondContact OE1-NH2 3.14Å; E552-R1447 IonicContact OE2-NH2 2.98Å; E552-R1447 PolarHBondContact OE2-NH2 3.13Å |
| 553 | R | 87.6 | Confident | 90.8 | Very high | 115 Ų | 115 | 19.5 Ų | 19.5 | 43% | 0.434 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26.4 | 179.7 | -177 | 173.9 | 179.9 | 157.7 | 11 | 113.1 | N330 F550 V555 M556 E764 | N330-R553 PolarHBondContact ND2-O 3.17Å; F550-R553 WeakPolarHBondContact O-CB 3.33Å; F550-R553 PolarHBondContact O-N 2.93Å; R553-V555 PolarHBondContact O-N 2.86Å; R553-V555 VanDerWaalsContact O-N 3.16Å; R553-M556 PolarHBondContact O-N 2.84Å; R553-M556 VanDerWaalsContact O-O 3.1Å; R553-E764 IonicContact CZ-OE1 3.14Å; R553-E764 IonicContact NH1-OE1 2.74Å; R553-E764 IonicContact NH2-OE1 3.94Å; R553-E764 PolarHBondContact NH2-OE1 2.83Å |
| 554 | I | 87.7 | Confident | 91.2 | Very high | 49 Ų | 49 | 19.4 Ų | 19.4 | 25% | 0.251 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34 | 176.9 | -166.9 | 170.7 | 0 | 0 | 0 | 112.8 | N330 L331 E552 | N330-I554 PolarHBondContact ND2-O 3.03Å; L331-I554 HydrophobicContact CD2-CD1 4.34Å; E552-I554 PolarHBondContact O-N 3.47Å |
| 555 | V | 89.8 | Confident | 91.4 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -23.6 | 177.6 | -63.1 | 0 | 0 | 0 | 0 | 113.2 | A327 R376 N377 E552 R553 | A327-V555 HydrophobicContact CB-CB 4.34Å; A327-V555 HydrophobicContact CB-CG1 3.97Å; R376-V555 PolarHBondContact NH1-O 3.01Å; N377-V555 WeakPolarHBondContact OD1-CB 3.38Å; N377-V555 VanDerWaalsContact OD1-CG1 3.3Å; N377-V555 WeakPolarHBondContact OD1-CG1 3.46Å; N377-V555 WeakPolarHBondContact OD1-CG2 3.27Å; E552-V555 HydrophobicContact CB-CG2 4.19Å; E552-V555 WeakPolarHBondContact O-CG2 3.45Å; E552-V555 PolarHBondContact O-N 3.45Å; R553-V555 PolarHBondContact O-N 2.86Å; R553-V555 VanDerWaalsContact O-N 3.16Å |
| 556 | M | 92.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | trans | -89.9 | 147.3 | -174 | -62.2 | -160.5 | 64.9 | 0 | 0 | 113.8 | N330 I547 P549 R553 L768 M771 A772 I776 S777 | N330-M556 PolarHBondContact ND2-O 3.09Å; I547-M556 HydrophobicContact CG2-CG 4.25Å; I547-M556 HydrophobicContact CG2-SD 3.91Å; P549-M556 WeakPolarHBondContact CA-SD 3.36Å; P549-M556 HydrophobicContact CB-SD 3.77Å; R553-M556 PolarHBondContact O-N 2.84Å; R553-M556 VanDerWaalsContact O-O 3.1Å; M556-L768 HydrophobicContact CB-CD2 4.04Å; M556-L768 HydrophobicContact CE-CB 4.42Å; M556-L768 HydrophobicContact CE-CD2 3.92Å; M556-L768 WeakPolarHBondContact CE-O 3.12Å; M556-M771 HydrophobicContact CE-CB 4.12Å; M556-M771 HydrophobicContact CE-CE 4.21Å; M556-A772 HydrophobicContact CE-CB 3.99Å; M556-A772 HydrophobicContact SD-CB 3.97Å; M556-I776 VanDerWaalsContact CE-O 3.27Å; M556-I776 WeakPolarHBondContact CE-O 3.21Å; M556-S777 CarbonylContact C-O 3.16Å; M556-S777 VanDerWaalsContact CA-O 3.22Å; M556-S777 WeakPolarHBondContact CA-O 3.17Å | ||
| 557 | T | 94.2 | Very high | 91.4 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 6% | 0.061 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -154.7 | 144.3 | 176.7 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | H329 M559 S777 T778 L779 | H329-T557 HydrophobicContact CB-CG2 4.17Å; T557-M559 WeakPolarHBondContact OG1-CB 3.42Å; T557-M559 PolarHBondContact OG1-N 2.89Å; T557-S777 PolarHBondContact N-O 2.92Å; T557-T778 HydrophobicContact CG2-CG2 4.17Å; T557-L779 PolarHBondContact O-N 2.84Å |
| 558 | L | 95.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 5% | 0.047 | 11% | 0.113 | C | C | . | . | trans | -96.9 | -3.3 | 166.2 | -60 | -168.9 | 0 | 0 | 0 | 113.1 | C560 A582 E764 I767 L768 M771 L779 | L558-C560 PolarHBondContact O-N 2.83Å; L558-A582 CarbonylContact C-O 3.48Å; L558-E764 HydrophobicContact CD1-CB 3.92Å; L558-E764 HydrophobicContact CD1-CG 3.64Å; L558-I767 HydrophobicContact CD1-CB 4.42Å; L558-I767 HydrophobicContact CD1-CG2 4.44Å; L558-I767 HydrophobicContact CD2-CB 4.42Å; L558-I767 HydrophobicContact CD2-CG2 3.71Å; L558-L768 HydrophobicContact CD1-CG 4.37Å; L558-L768 HydrophobicContact CD2-CD2 3.67Å; L558-L768 HydrophobicContact CD2-CG 4Å; L558-L768 HydrophobicContact CG-CD2 3.9Å; L558-L768 HydrophobicContact CG-CG 4.04Å; L558-M771 HydrophobicContact CD2-CE 4.46Å; L558-M771 HydrophobicContact CD2-SD 3.68Å; L558-L779 HydrophobicContact CB-CD2 4.26Å; L558-L779 HydrophobicContact CD2-CB 4.15Å; L558-L779 HydrophobicContact CD2-CD1 4.37Å; L558-L779 HydrophobicContact CD2-CD2 4.41Å; L558-L779 VanDerWaalsContact O-CD2 3.27Å; L558-L779 WeakPolarHBondContact O-CD2 3.44Å | ||
| 559 | M | 93.9 | Very high | 91.6 | Very high | 62 Ų | 62 | 24.2 Ų | 24.2 | 31% | 0.305 | 11% | 0.112 | S | C | . | . | trans | -68.5 | 125.7 | -178.7 | -170.8 | -178.8 | -68 | 0 | 0 | 109.9 | T557 W580 L581 | T557-M559 WeakPolarHBondContact OG1-CB 3.42Å; T557-M559 PolarHBondContact OG1-N 2.89Å; M559-W580 HydrophobicContact CG-CE3 3.58Å; M559-W580 HydrophobicContact CG-CZ3 3.75Å; M559-W580 HydrophobicContact SD-CE3 3.88Å; M559-W580 HydrophobicContact SD-CZ3 3.98Å; M559-L581 CarbonylContact C-O 3.49Å; M559-L581 VanDerWaalsContact CA-O 3.26Å; M559-L581 WeakPolarHBondContact CA-O 3.36Å | ||
| 560 | C | 92.5 | Very high | 91.7 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 134.9 | -173 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | L558 L581 L779 K783 | L558-C560 PolarHBondContact O-N 2.83Å; C560-L581 PolarHBondContact N-O 3.49Å; C560-L581 PolarHBondContact O-N 3.43Å; C560-L779 HydrophobicContact CB-CD2 4.37Å; C560-K783 PolarHBondContact SG-NZ 3.17Å |
| 561 | P | 93.9 | Very high | 91.9 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.013 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 143.3 | 169.2 | 30.1 | -30.7 | 0 | 0 | 0 | 110.8 | A350 R578 L579 W580 | A350-P561 WeakPolarHBondContact O-CG 3.32Å; P561-R578 HydrophobicContact CB-CB 4Å; P561-R578 HydrophobicContact CB-CG 4.42Å; P561-R578 PolarHBondContact O-NH2 3.28Å; P561-L579 CarbonylContact C-O 3.55Å; P561-L579 WeakPolarHBondContact CA-O 3.36Å; P561-W580 HydrophobicContact CB-CD2 4.14Å; P561-W580 HydrophobicContact CB-CZ2 4.07Å; P561-W580 HydrophobicContact CG-CH2 4.19Å; P561-W580 HydrophobicContact CG-CZ2 3.99Å |
| 562 | I | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 167.3 | 176.9 | 72.3 | 158.2 | 0 | 0 | 0 | 111 | R578 L579 L581 W617 L663 D724 | I562-R578 PolarHBondContact O-NE 3.17Å; I562-L579 HydrophobicContact CD1-CD2 4.1Å; I562-L579 HydrophobicContact CG1-CB 3.96Å; I562-L579 HydrophobicContact CG1-CD2 4.18Å; I562-L579 HydrophobicContact CG1-CG 4.22Å; I562-L579 PolarHBondContact N-O 2.77Å; I562-L579 PolarHBondContact O-N 2.82Å; I562-L581 HydrophobicContact CD1-CD1 3.81Å; I562-L581 HydrophobicContact CD1-CD2 4.48Å; I562-L581 HydrophobicContact CD1-CG 4.21Å; I562-L581 HydrophobicContact CG1-CD1 4.2Å; I562-L581 HydrophobicContact CG1-CG 4.19Å; I562-L581 HydrophobicContact CG2-CD1 3.76Å; I562-L581 HydrophobicContact CG2-CG 4.08Å; I562-W617 WeakPolarHBondContact O-CH2 3.3Å; I562-L663 HydrophobicContact CD1-CD2 4.27Å; I562-D724 HydrophobicContact CB-CB 4.01Å; I562-D724 HydrophobicContact CG2-CB 3.77Å |
| 563 | G | 91.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 6% | 0.062 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 89.5 | -169.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R578 | G563-R578 PolarHBondContact O-NE 2.96Š|
| 564 | P | 92.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 25.5 Ų | 25.5 | 7% | 0.065 | 13% | 0.131 | C | C | . | . | trans | -64.5 | 133.7 | -169.7 | -18 | 28.4 | 0 | 0 | 0 | 114.4 | R578 D662 M698 R699 | P564-R578 WeakPolarHBondContact O-CD 3.42Å; P564-D662 HydrophobicContact CG-CB 3.9Å; P564-D662 WeakPolarHBondContact CG-OD1 3.47Å; P564-M698 CarbonylContact C-O 3.54Å; P564-M698 WeakPolarHBondContact CA-O 3.16Å; P564-R699 WeakPolarHBondContact CB-O 3.29Å; P564-R699 VanDerWaalsContact CG-O 3.31Å; P564-R699 WeakPolarHBondContact CG-O 3.29Å | ||
| 565 | Q | 92.1 | Very high | 92.6 | Very high | 15 Ų | 15 | 23.4 Ų | 23.4 | 7% | 0.07 | 12% | 0.12 | C | C | . | . | trans | -90.4 | 160.9 | 170 | -75.7 | -177.8 | 34 | 0 | 0 | 112.1 | R270 S352 M698 | R270-Q565 VanDerWaalsContact NE-OE1 3.11Å; R270-Q565 VanDerWaalsContact NH2-OE1 3.09Å; S352-Q565 PolarHBondContact O-OE1 2.9Å; Q565-M698 HydrophobicContact CB-CB 4.3Å; Q565-M698 VanDerWaalsContact CD-SD 3.5Å; Q565-M698 HydrophobicContact CG-SD 4.42Å; Q565-M698 PolarHBondContact N-O 3.48Å; Q565-M698 PolarHBondContact NE2-SD 2.9Å; Q565-M698 VanDerWaalsContact NE2-SD 3.42Å; Q565-M698 PolarHBondContact OE1-SD 3.46Å | ||
| 566 | K | 91.8 | Very high | 92.8 | Very high | 98 Ų | 98 | 23 Ų | 23 | 43% | 0.426 | 12% | 0.118 | S | C | . | . | trans | -119.3 | 178.8 | 175 | -58 | -59.2 | 178 | -171.5 | 0 | 110.7 | I568 A574 Q575 | K566-I568 PolarHBondContact O-N 3.44Å; K566-A574 HydrophobicContact CG-CB 4.14Å; K566-A574 VanDerWaalsContact CG-O 3.3Å; K566-A574 WeakPolarHBondContact CG-O 3.31Å; K566-Q575 HydrophobicContact CB-CG 4.2Å | ||
| 567 | N | 93.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 23.6 Ų | 23.6 | 8% | 0.075 | 12% | 0.121 | C | C | . | . | trans | -53.2 | 130 | 179.9 | -179.8 | 25.5 | 0 | 0 | 0 | 111 | M274 F275 L569 Q575 | M274-N567 WeakPolarHBondContact CA-OD1 3.33Å; F275-N567 HydrophobicContact CD1-CB 3.86Å; F275-N567 VanDerWaalsContact CD1-ND2 3.33Å; F275-N567 WeakPolarHBondContact CD1-ND2 3.41Å; F275-N567 HydrophobicContact CE1-CB 3.51Å; F275-N567 VanDerWaalsContact CE1-ND2 3.26Å; F275-N567 WeakPolarHBondContact CE1-ND2 3.43Å; F275-N567 HydrophobicContact CZ-CB 4.27Å; F275-N567 WeakPolarHBondContact CZ-ND2 3.38Å; F275-N567 PolarHBondContact N-OD1 3.16Å; F275-N567 PolarHBondContact O-ND2 3.42Å; N567-L569 PolarHBondContact OD1-N 2.92Å; N567-L569 VanDerWaalsContact OD1-N 3.16Å; N567-Q575 PolarHBondContact O-NE2 3.49Å | ||
| 568 | I | 92.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -91.3 | -13.8 | -178.6 | 69.1 | 163.7 | 0 | 0 | 0 | 113.3 | M274 M304 L308 Y314 F353 K566 | M274-I568 HydrophobicContact CE-CD1 3.44Å; M274-I568 VanDerWaalsContact CE-CD1 3.44Å; M274-I568 HydrophobicContact CE-CG1 3.83Å; M274-I568 HydrophobicContact CG-CG1 4.3Å; M274-I568 HydrophobicContact SD-CD1 4.39Å; M274-I568 HydrophobicContact SD-CG1 4.32Å; M304-I568 HydrophobicContact CE-CD1 3.71Å; L308-I568 HydrophobicContact CD2-CD1 4.09Å; Y314-I568 WeakPolarHBondContact CE2-O 2.98Å; Y314-I568 PolarHBondContact OH-O 2.71Å; F353-I568 HydrophobicContact CD2-CD1 4.11Å; F353-I568 HydrophobicContact CE2-CD1 4.02Å; K566-I568 PolarHBondContact O-N 3.44Å |
| 569 | L | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -82.8 | -18.7 | -171.7 | -65.6 | 179.6 | 0 | 0 | 0 | 113.9 | M274 M284 F307 L308 A311 G312 D313 N567 | M274-L569 HydrophobicContact CB-CD1 4.08Å; M284-L569 HydrophobicContact CE-CD1 4Å; F307-L569 HydrophobicContact CD1-CD2 4.21Å; F307-L569 HydrophobicContact CE1-CD1 4.22Å; F307-L569 HydrophobicContact CE1-CD2 3.78Å; F307-L569 HydrophobicContact CE1-CG 4.5Å; F307-L569 HydrophobicContact CZ-CD1 4.31Å; L308-L569 HydrophobicContact CD2-CD2 4.31Å; A311-L569 HydrophobicContact CB-CD1 4.41Å; G312-L569 WeakPolarHBondContact CA-O 3.39Å; D313-L569 PolarHBondContact N-O 3.44Å; N567-L569 PolarHBondContact OD1-N 2.92Å; N567-L569 VanDerWaalsContact OD1-N 3.16Å |
| 570 | I | 93.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 20.4 Ų | 20.4 | 11% | 0.108 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -128.5 | 116.1 | -176.7 | -56.3 | 172.1 | 0 | 0 | 0 | 108.2 | F275 R277 S572 Q575 | F275-I570 HydrophobicContact CD2-CD1 3.87Å; F275-I570 HydrophobicContact CE2-CD1 3.45Å; F275-I570 VanDerWaalsContact CE2-CD1 3.45Å; F275-I570 HydrophobicContact CZ-CD1 4.22Å; R277-I570 HydrophobicContact CG-CD1 3.77Å; R277-I570 HydrophobicContact CG-CG1 4.39Å; I570-S572 PolarHBondContact O-N 3.02Å; I570-Q575 PolarHBondContact O-NE2 3.15Å |
| 571 | P | 92.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | trans | -56.6 | 129.3 | 175.5 | -26.3 | 34.3 | 0 | 0 | 0 | 112.5 | Y314 W348 W449 | Y314-P571 HydrophobicContact CE1-CG 3.8Å; W348-P571 HydrophobicContact CH2-CB 3.9Å; W348-P571 HydrophobicContact CH2-CG 4.09Å; W348-P571 HydrophobicContact CZ2-CB 3.66Å; W348-P571 HydrophobicContact CZ2-CG 4.3Å; W449-P571 HydrophobicContact CZ3-CB 4.49Å | ||
| 572 | S | 92.5 | Very high | 92.7 | Very high | 39 Ų | 39 | 24.1 Ų | 24.1 | 27% | 0.273 | 13% | 0.133 | S | C | . | . | trans | -157.4 | 159.3 | 178.3 | 71.9 | 0 | 0 | 0 | 0 | 113.7 | I570 A574 Q575 | I570-S572 PolarHBondContact O-N 3.02Å; S572-A574 PolarHBondContact O-N 3.45Å; S572-A574 PolarHBondContact OG-N 3.23Å; S572-Q575 PolarHBondContact O-N 2.83Å; S572-Q575 PolarHBondContact O-OE1 2.81Å; S572-Q575 VanDerWaalsContact O-OE1 3.08Å | ||
| 573 | R | 91.4 | Very high | 92.6 | Very high | 128 Ų | 128 | 25 Ų | 25 | 48% | 0.483 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -58.4 | -26.9 | 171.4 | 70.1 | 174.1 | -107.7 | -178.4 | -5.4 | 113.7 | W449 E452 Q575 T576 | W449-R573 HydrophobicContact CB-CB 4.32Å; W449-R573 HydrophobicContact CD2-CB 4.16Å; W449-R573 HydrophobicContact CG-CB 3.82Å; E452-R573 IonicContact OE2-NH1 2.73Å; R573-Q575 PolarHBondContact O-N 2.77Å; R573-Q575 VanDerWaalsContact O-N 3.14Å; R573-T576 PolarHBondContact O-N 3Å; R573-T576 PolarHBondContact O-OG1 3.18Å |
| 574 | A | 90 | Very high | 92.9 | Very high | 36 Ų | 36 | 24.8 Ų | 24.8 | 30% | 0.298 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -64.1 | -24.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K566 S572 T576 H577 | K566-A574 HydrophobicContact CG-CB 4.14Å; K566-A574 VanDerWaalsContact CG-O 3.3Å; K566-A574 WeakPolarHBondContact CG-O 3.31Å; S572-A574 PolarHBondContact O-N 3.45Å; S572-A574 PolarHBondContact OG-N 3.23Å; A574-T576 VanDerWaalsContact C-N 3.3Å; A574-T576 PolarHBondContact O-N 2.79Å; A574-H577 PolarHBondContact O-CD2 3.35Å |
| 575 | Q | 92.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.023 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -70 | -22.3 | -179.9 | -67.4 | 162.9 | -42.2 | 0 | 0 | 113.1 | W348 N351 S352 K566 N567 I570 S572 R573 H577 | W348-Q575 VanDerWaalsContact NE1-OE1 3.13Å; N351-Q575 VanDerWaalsContact CB-O 3.26Å; N351-Q575 WeakPolarHBondContact CB-O 3.21Å; S352-Q575 PolarHBondContact OG-NE2 3.41Å; K566-Q575 HydrophobicContact CB-CG 4.2Å; N567-Q575 PolarHBondContact O-NE2 3.49Å; I570-Q575 PolarHBondContact O-NE2 3.15Å; S572-Q575 PolarHBondContact O-N 2.83Å; S572-Q575 PolarHBondContact O-OE1 2.81Å; S572-Q575 VanDerWaalsContact O-OE1 3.08Å; R573-Q575 PolarHBondContact O-N 2.77Å; R573-Q575 VanDerWaalsContact O-N 3.14Å; Q575-H577 VanDerWaalsContact C-N 3.33Å; Q575-H577 PolarHBondContact O-N 2.9Å |
| 576 | T | 92.5 | Very high | 93.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -81.6 | -10.9 | -175.9 | 60.1 | 0 | 0 | 0 | 0 | 113.9 | W449 L450 G453 A454 R573 A574 R578 | W449-T576 HydrophobicContact CB-CG2 3.93Å; W449-T576 WeakPolarHBondContact O-CB 3.37Å; W449-T576 PolarHBondContact O-OG1 3.41Å; L450-T576 HydrophobicContact CD2-CG2 3.96Å; L450-T576 HydrophobicContact CG-CG2 4.35Å; G453-T576 CarbonylContact C-O 3.57Å; G453-T576 WeakPolarHBondContact CA-OG1 3.31Å; A454-T576 VanDerWaalsContact CA-O 3.25Å; A454-T576 WeakPolarHBondContact CA-O 3.16Å; A454-T576 PolarHBondContact N-O 2.84Å; R573-T576 PolarHBondContact O-N 3Å; R573-T576 PolarHBondContact O-OG1 3.18Å; A574-T576 VanDerWaalsContact C-N 3.3Å; A574-T576 PolarHBondContact O-N 2.79Å; T576-R578 PolarHBondContact O-N 3.27Å |
| 577 | H | 92.1 | Very high | 93.2 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 7% | 0.074 | 12% | 0.119 | C | C | . | . | trans | -72.5 | 73.1 | 179.1 | -65.7 | -63.7 | 0 | 0 | 0 | 112.3 | A574 Q575 S612 T613 | A574-H577 PolarHBondContact O-CD2 3.35Å; Q575-H577 VanDerWaalsContact C-N 3.33Å; Q575-H577 PolarHBondContact O-N 2.9Å; H577-S612 PolarHBondContact ND1-OG 2.95Å; H577-T613 WeakPolarHBondContact CB-OG1 3.39Å; H577-T613 PolarHBondContact ND1-N 2.9Å; H577-T613 PolarHBondContact ND1-OG1 3.47Å | ||
| 578 | R | 93.4 | Very high | 93 | Very high | 7 Ų | 7 | 20.5 Ų | 20.5 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | trans | -135.5 | 151.5 | -179.2 | -62.4 | -71.2 | -64.8 | -89 | 2.2 | 109.8 | N351 I455 P561 I562 G563 P564 T576 | N351-R578 HydrophobicContact CB-CG 4.07Å; N351-R578 PolarHBondContact O-NH1 2.86Å; N351-R578 WeakPolarHBondContact OD1-CB 3.46Å; N351-R578 WeakPolarHBondContact OD1-CG 3.3Å; I455-R578 PolarHBondContact N-O 3.26Å; P561-R578 HydrophobicContact CB-CB 4Å; P561-R578 HydrophobicContact CB-CG 4.42Å; P561-R578 PolarHBondContact O-NH2 3.28Å; I562-R578 PolarHBondContact O-NE 3.17Å; G563-R578 PolarHBondContact O-NE 2.96Å; P564-R578 WeakPolarHBondContact O-CD 3.42Å; T576-R578 PolarHBondContact O-N 3.27Å | ||
| 579 | L | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.6 | 171.7 | 176.7 | 60.1 | 0 | 0 | 0 | 109.2 | I455 L457 M460 P561 I562 L581 L594 V614 W617 | I455-L579 HydrophobicContact CG2-CD1 4.47Å; I455-L579 WeakPolarHBondContact O-CA 3.32Å; L457-L579 HydrophobicContact CD1-CD1 4.18Å; L457-L579 HydrophobicContact CD1-CD2 3.98Å; L457-L579 HydrophobicContact CD1-CG 4.33Å; M460-L579 HydrophobicContact CE-CD1 3.57Å; M460-L579 HydrophobicContact CE-CD2 3.91Å; M460-L579 HydrophobicContact CE-CG 4.21Å; M460-L579 HydrophobicContact SD-CD1 4.24Å; M460-L579 HydrophobicContact SD-CD2 4.29Å; P561-L579 CarbonylContact C-O 3.55Å; P561-L579 WeakPolarHBondContact CA-O 3.36Å; I562-L579 HydrophobicContact CD1-CD2 4.1Å; I562-L579 HydrophobicContact CG1-CB 3.96Å; I562-L579 HydrophobicContact CG1-CD2 4.18Å; I562-L579 HydrophobicContact CG1-CG 4.22Å; I562-L579 PolarHBondContact N-O 2.77Å; I562-L579 PolarHBondContact O-N 2.82Å; L579-L581 HydrophobicContact CD2-CD2 4.28Å; L579-L581 HydrophobicContact CG-CD2 4.22Å; L579-L594 HydrophobicContact CD2-CD2 4.01Å; L579-V614 HydrophobicContact CB-CG1 4.24Å; L579-W617 HydrophobicContact CB-CH2 3.81Å; L579-W617 HydrophobicContact CB-CZ3 3.56Å; L579-W617 HydrophobicContact CD2-CZ3 4.45Å |
| 580 | W | 94.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 26 Ų | 26 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 124.7 | 177.3 | -81.2 | 78.2 | 0 | 0 | 0 | 111.1 | W328 K347 A350 N351 I455 M559 P561 | W328-W580 AromaticContact CH2-CH2 3.79Å; W328-W580 HydrophobicContact CH2-CH2 3.79Å; W328-W580 HydrophobicContact CH2-CZ3 4.23Å; W328-W580 HydrophobicContact CZ2-CH2 4.06Å; K347-W580 HydrophobicContact CG-CH2 4.3Å; K347-W580 HydrophobicContact CG-CZ2 3.86Å; A350-W580 HydrophobicContact CB-CH2 3.87Å; A350-W580 HydrophobicContact CB-CZ2 4.22Å; N351-W580 PolarHBondContact OD1-NE1 2.9Å; I455-W580 PolarHBondContact O-N 3.13Å; M559-W580 HydrophobicContact CG-CE3 3.58Å; M559-W580 HydrophobicContact CG-CZ3 3.75Å; M559-W580 HydrophobicContact SD-CE3 3.88Å; M559-W580 HydrophobicContact SD-CZ3 3.98Å; P561-W580 HydrophobicContact CB-CD2 4.14Å; P561-W580 HydrophobicContact CB-CZ2 4.07Å; P561-W580 HydrophobicContact CG-CH2 4.19Å; P561-W580 HydrophobicContact CG-CZ2 3.99Å |
| 581 | L | 94.7 | Very high | 92.5 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.6 | 172.5 | -57 | -173.5 | 0 | 0 | 0 | 109.5 | L457 M559 C560 I562 L579 L586 A725 | L457-L581 HydrophobicContact CD1-CD2 3.29Å; M559-L581 CarbonylContact C-O 3.49Å; M559-L581 VanDerWaalsContact CA-O 3.26Å; M559-L581 WeakPolarHBondContact CA-O 3.36Å; C560-L581 PolarHBondContact N-O 3.49Å; C560-L581 PolarHBondContact O-N 3.43Å; I562-L581 HydrophobicContact CD1-CD1 3.81Å; I562-L581 HydrophobicContact CD1-CD2 4.48Å; I562-L581 HydrophobicContact CD1-CG 4.21Å; I562-L581 HydrophobicContact CG1-CD1 4.2Å; I562-L581 HydrophobicContact CG1-CG 4.19Å; I562-L581 HydrophobicContact CG2-CD1 3.76Å; I562-L581 HydrophobicContact CG2-CG 4.08Å; L579-L581 HydrophobicContact CD2-CD2 4.28Å; L579-L581 HydrophobicContact CG-CD2 4.22Å; L581-L586 HydrophobicContact CD1-CD2 4.4Å; L581-L586 HydrophobicContact CD2-CD2 4.34Å; L581-A725 HydrophobicContact CD1-CB 3.6Å |
| 582 | A | 92.6 | Very high | 92.4 | Very high | 75 Ų | 75 | 24.6 Ų | 24.6 | 62% | 0.62 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -75.9 | -32 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L558 | L558-A582 CarbonylContact C-O 3.48Š|
| 583 | N | 92.8 | Very high | 92.2 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | trans | -141.5 | 139.4 | -179.5 | -174.3 | -33.6 | 0 | 0 | 0 | 108.7 | I585 I760 | N583-I585 PolarHBondContact O-N 3.28Å; N583-I585 WeakPolarHBondContact OD1-CB 3.32Å; N583-I585 WeakPolarHBondContact OD1-CG1 3.23Å; N583-I585 PolarHBondContact OD1-N 3.47Å; N583-I760 WeakPolarHBondContact ND2-CG2 3.48Å | ||
| 584 | P | 96.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.013 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -66.9 | -17.3 | 175.1 | 27.4 | -37.3 | 0 | 0 | 0 | 114.2 | I719 A725 I726 I767 L779 | P584-I719 HydrophobicContact CB-CD1 3.93Å; P584-I719 HydrophobicContact CG-CD1 3.8Å; P584-A725 CarbonylContact O-C 3.52Å; P584-A725 VanDerWaalsContact O-CA 3.24Å; P584-A725 WeakPolarHBondContact O-CA 3.32Å; P584-A725 WeakPolarHBondContact O-CB 3.26Å; P584-I726 PolarHBondContact O-N 2.91Å; P584-I767 HydrophobicContact CG-CD1 4.02Å; P584-L779 HydrophobicContact CB-CD2 4.03Å; P584-L779 HydrophobicContact CG-CD2 3.7Å |
| 585 | I | 96.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -85.3 | 116.5 | 179.9 | -50.8 | -53.2 | 0 | 0 | 0 | 109.9 | N583 F715 I726 P728 F732 I760 V763 I767 | N583-I585 PolarHBondContact O-N 3.28Å; N583-I585 WeakPolarHBondContact OD1-CB 3.32Å; N583-I585 WeakPolarHBondContact OD1-CG1 3.23Å; N583-I585 PolarHBondContact OD1-N 3.47Å; I585-F715 HydrophobicContact CD1-CB 4.29Å; I585-F715 HydrophobicContact CD1-CD1 3.39Å; I585-F715 HydrophobicContact CD1-CE1 3.87Å; I585-F715 HydrophobicContact CD1-CG 3.93Å; I585-I726 CarbonylContact C-O 3.56Å; I585-I726 WeakPolarHBondContact CA-O 3.47Å; I585-I726 HydrophobicContact CD1-CB 4.32Å; I585-P728 HydrophobicContact CG2-CG 4.07Å; I585-F732 HydrophobicContact CG2-CZ 4.31Å; I585-I760 HydrophobicContact CB-CG2 4.49Å; I585-I760 HydrophobicContact CG2-CG1 3.99Å; I585-V763 HydrophobicContact CD1-CG1 3.99Å; I585-V763 HydrophobicContact CG1-CB 4.47Å; I585-V763 HydrophobicContact CG1-CG1 3.8Å; I585-I767 HydrophobicContact CD1-CD1 4.38Å |
| 586 | L | 94.7 | Very high | 92 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -95 | 135.7 | -177.8 | -59.2 | 179.4 | 0 | 0 | 0 | 111.1 | L581 D590 M591 L594 I703 A725 I726 C727 F732 | L581-L586 HydrophobicContact CD1-CD2 4.4Å; L581-L586 HydrophobicContact CD2-CD2 4.34Å; L586-D590 HydrophobicContact CB-CB 4.05Å; L586-D590 HydrophobicContact CD2-CB 4.28Å; L586-M591 HydrophobicContact CD1-SD 4.33Å; L586-L594 HydrophobicContact CD1-CD1 3.77Å; L586-I703 HydrophobicContact CD1-CD1 4.47Å; L586-I703 HydrophobicContact CD1-CG2 3.83Å; L586-A725 HydrophobicContact CD1-CB 3.64Å; L586-A725 HydrophobicContact CD2-CB 4.14Å; L586-A725 HydrophobicContact CG-CB 3.8Å; L586-I726 PolarHBondContact N-O 2.84Å; L586-C727 HydrophobicContact CB-CB 4.21Å; L586-F732 WeakPolarHBondContact O-CE2 3.42Å |
| 587 | S | 90.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 17% | 0.168 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 168 | 170.5 | 75 | 0 | 0 | 0 | 0 | 111.8 | K589 D590 M591 | S587-K589 PolarHBondContact O-N 3.32Å; S587-K589 PolarHBondContact OG-N 2.97Å; S587-D590 VanDerWaalsContact CB-OD2 3.32Å; S587-D590 WeakPolarHBondContact CB-OD2 3.4Å; S587-D590 PolarHBondContact N-OD2 2.75Å; S587-D590 WeakPolarHBondContact O-CB 3.41Å; S587-D590 PolarHBondContact O-N 3.4Å; S587-D590 PolarHBondContact OG-N 3.05Å; S587-D590 PolarHBondContact OG-OD1 3.03Å; S587-D590 PolarHBondContact OG-OD2 3.32Å; S587-M591 PolarHBondContact O-N 2.86Å |
| 588 | L | 88.8 | Confident | 91.6 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.6 | -33.1 | 174.1 | -67.3 | 176 | 0 | 0 | 0 | 112.3 | Y471 T475 A592 F732 | Y471-L588 HydrophobicContact CE2-CB 3.87Å; T475-L588 HydrophobicContact CG2-CD1 4.13Å; L588-A592 WeakPolarHBondContact O-CB 3.3Å; L588-A592 PolarHBondContact O-N 3.11Å; L588-F732 HydrophobicContact CD1-CB 3.86Å; L588-F732 HydrophobicContact CD2-CD2 4.3Å; L588-F732 HydrophobicContact CG-CB 4.03Å; L588-F732 HydrophobicContact CG-CD2 4.03Å; L588-F732 HydrophobicContact CG-CG 4.41Å |
| 589 | K | 87.2 | Confident | 91 | Very high | 91 Ų | 91 | 24 Ų | 24 | 40% | 0.396 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68 | -44 | 176.4 | -67.9 | 179.2 | 178.2 | 174.2 | 0 | 111.1 | Y471 S587 M591 A592 L593 E753 | Y471-K589 HydrophobicContact CD2-CB 4.45Å; Y471-K589 HydrophobicContact CD2-CG 3.71Å; Y471-K589 HydrophobicContact CE2-CB 4.35Å; Y471-K589 HydrophobicContact CE2-CG 3.38Å; S587-K589 PolarHBondContact O-N 3.32Å; S587-K589 PolarHBondContact OG-N 2.97Å; K589-M591 VanDerWaalsContact C-N 3.34Å; K589-M591 PolarHBondContact O-N 3.2Å; K589-A592 PolarHBondContact O-N 3.23Å; K589-L593 PolarHBondContact O-N 2.75Å; K589-L593 VanDerWaalsContact O-N 3.08Å; K589-E753 WeakPolarHBondContact CE-OE1 3.32Å; K589-E753 IonicContact NZ-OE1 2.71Å; K589-E753 PolarHBondContact NZ-OE1 3.32Å |
| 590 | D | 91 | Very high | 90.4 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 177.5 | -57.4 | -24.7 | 0 | 0 | 0 | 110.7 | L457 H461 L586 S587 A592 L593 L594 | L457-D590 HydrophobicContact CD2-CB 3.57Å; L457-D590 WeakPolarHBondContact CD2-OD1 3.36Å; H461-D590 IonicContact CD2-OD1 2.78Å; H461-D590 IonicContact CE1-OD1 2.74Å; H461-D590 IonicContact NE2-OD1 3.89Å; H461-D590 PolarHBondContact NE2-OD1 2.71Å; L586-D590 HydrophobicContact CB-CB 4.05Å; L586-D590 HydrophobicContact CD2-CB 4.28Å; S587-D590 VanDerWaalsContact CB-OD2 3.32Å; S587-D590 WeakPolarHBondContact CB-OD2 3.4Å; S587-D590 PolarHBondContact N-OD2 2.75Å; S587-D590 WeakPolarHBondContact O-CB 3.41Å; S587-D590 PolarHBondContact O-N 3.4Å; S587-D590 PolarHBondContact OG-N 3.05Å; S587-D590 PolarHBondContact OG-OD1 3.03Å; S587-D590 PolarHBondContact OG-OD2 3.32Å; D590-A592 PolarHBondContact O-N 3.43Å; D590-L593 WeakPolarHBondContact O-CB 3.43Å; D590-L593 PolarHBondContact O-N 2.82Å; D590-L594 WeakPolarHBondContact O-CG 3.37Å; D590-L594 PolarHBondContact O-N 3.3Å |
| 591 | M | 92.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -39.6 | 179.1 | -163.1 | 66.6 | -112.9 | 0 | 0 | 112 | L586 S587 K589 L593 L594 R595 I665 I703 E705 C727 | L586-M591 HydrophobicContact CD1-SD 4.33Å; S587-M591 PolarHBondContact O-N 2.86Å; K589-M591 VanDerWaalsContact C-N 3.34Å; K589-M591 PolarHBondContact O-N 3.2Å; M591-L593 VanDerWaalsContact C-N 3.33Å; M591-L593 PolarHBondContact O-N 2.71Å; M591-L594 HydrophobicContact CE-CB 4.26Å; M591-L594 PolarHBondContact O-N 2.83Å; M591-R595 HydrophobicContact CE-CG 3.69Å; M591-R595 WeakPolarHBondContact O-CB 3.35Å; M591-R595 VanDerWaalsContact O-CG 3.24Å; M591-R595 WeakPolarHBondContact O-CG 3.35Å; M591-R595 PolarHBondContact O-N 3.22Å; M591-I665 HydrophobicContact CE-CB 4.37Å; M591-I665 HydrophobicContact CE-CD1 3.51Å; M591-I665 HydrophobicContact CE-CG1 3.83Å; M591-I665 HydrophobicContact CE-CG2 3.6Å; M591-I703 HydrophobicContact CE-CG2 4.05Å; M591-I703 HydrophobicContact SD-CG2 3.78Å; M591-E705 HydrophobicContact CG-CG 4.3Å; M591-E705 HydrophobicContact SD-CB 4.26Å; M591-C727 HydrophobicContact CB-CB 4.06Å; M591-C727 HydrophobicContact CG-CB 3.85Å; M591-C727 HydrophobicContact SD-CB 3.69Å |
| 592 | A | 89 | Confident | 88.5 | Confident | 7 Ų | 7 | 34.5 Ų | 34.5 | 6% | 0.058 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -44.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I474 L588 K589 D590 S596 | I474-A592 HydrophobicContact CD1-CB 3.46Å; I474-A592 VanDerWaalsContact CD1-CB 3.46Å; L588-A592 WeakPolarHBondContact O-CB 3.3Å; L588-A592 PolarHBondContact O-N 3.11Å; K589-A592 PolarHBondContact O-N 3.23Å; D590-A592 PolarHBondContact O-N 3.43Å; A592-S596 PolarHBondContact O-N 3.3Å |
| 593 | L | 89.7 | Confident | 87.3 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -52.9 | 175.8 | 171.4 | 62.7 | 0 | 0 | 0 | 111 | M460 F464 K589 D590 M591 R595 S596 | M460-L593 HydrophobicContact CB-CD2 4.14Å; M460-L593 HydrophobicContact CG-CD2 3.9Å; M460-L593 HydrophobicContact SD-CD2 4.08Å; M460-L593 HydrophobicContact SD-CG 4.48Å; F464-L593 HydrophobicContact CB-CD1 3.39Å; F464-L593 HydrophobicContact CD1-CD1 4.23Å; F464-L593 HydrophobicContact CD2-CD1 3.83Å; F464-L593 HydrophobicContact CG-CD1 3.58Å; K589-L593 PolarHBondContact O-N 2.75Å; K589-L593 VanDerWaalsContact O-N 3.08Å; D590-L593 WeakPolarHBondContact O-CB 3.43Å; D590-L593 PolarHBondContact O-N 2.82Å; M591-L593 VanDerWaalsContact C-N 3.33Å; M591-L593 PolarHBondContact O-N 2.71Å; L593-R595 VanDerWaalsContact C-N 3.28Å; L593-R595 PolarHBondContact O-N 3.44Å; L593-S596 WeakPolarHBondContact O-CB 3.42Å; L593-S596 PolarHBondContact O-N 2.86Å; L593-S596 PolarHBondContact O-OG 3.14Å |
| 594 | L | 91.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -31 | -176.3 | -64.5 | 173.7 | 0 | 0 | 0 | 112.7 | M460 L579 L586 D590 M591 S596 L597 S619 L663 I703 | M460-L594 HydrophobicContact SD-CD2 3.94Å; L579-L594 HydrophobicContact CD2-CD2 4.01Å; L586-L594 HydrophobicContact CD1-CD1 3.77Å; D590-L594 WeakPolarHBondContact O-CG 3.37Å; D590-L594 PolarHBondContact O-N 3.3Å; M591-L594 HydrophobicContact CE-CB 4.26Å; M591-L594 PolarHBondContact O-N 2.83Å; L594-S596 VanDerWaalsContact C-N 3.28Å; L594-S596 PolarHBondContact O-N 2.87Å; L594-L597 HydrophobicContact CD2-CD1 3.92Å; L594-S619 WeakPolarHBondContact O-CB 3.47Å; L594-S619 PolarHBondContact O-OG 2.69Å; L594-L663 HydrophobicContact CD2-CD1 4.14Å; L594-I703 HydrophobicContact CB-CD1 4.43Å; L594-I703 HydrophobicContact CD1-CD1 3.66Å |
| 595 | R | 91.1 | Very high | 83.6 | Confident | 73 Ų | 73 | 43 Ų | 43 | 28% | 0.275 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.7 | -24.1 | 172.7 | -72.1 | 172.6 | 95.9 | -119.4 | 0.3 | 113.3 | M591 L593 L597 I621 I665 E705 | M591-R595 HydrophobicContact CE-CG 3.69Å; M591-R595 WeakPolarHBondContact O-CB 3.35Å; M591-R595 VanDerWaalsContact O-CG 3.24Å; M591-R595 WeakPolarHBondContact O-CG 3.35Å; M591-R595 PolarHBondContact O-N 3.22Å; L593-R595 VanDerWaalsContact C-N 3.28Å; L593-R595 PolarHBondContact O-N 3.44Å; R595-L597 VanDerWaalsContact C-N 3.34Å; R595-I621 HydrophobicContact CB-CD1 4.45Å; R595-I621 HydrophobicContact CG-CD1 4.15Å; R595-I665 HydrophobicContact CB-CD1 4.46Å; R595-I665 HydrophobicContact CG-CD1 3.8Å; R595-E705 IonicContact NE-OE2 3.63Å |
| 596 | S | 86.9 | Confident | 81.4 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -6 | -177.5 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | A592 L593 L594 G598 | A592-S596 PolarHBondContact O-N 3.3Å; L593-S596 WeakPolarHBondContact O-CB 3.42Å; L593-S596 PolarHBondContact O-N 2.86Å; L593-S596 PolarHBondContact O-OG 3.14Å; L594-S596 VanDerWaalsContact C-N 3.28Å; L594-S596 PolarHBondContact O-N 2.87Å; S596-G598 PolarHBondContact O-N 3.22Å; S596-G598 VanDerWaalsContact O-N 3.13Å |
| 597 | L | 89.2 | Confident | 79.4 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | trans | -69.1 | 104.9 | -176.6 | -66.4 | 178.5 | 0 | 0 | 0 | 112.2 | F464 L594 R595 W617 S619 L663 | F464-L597 HydrophobicContact CE1-CD2 4.16Å; F464-L597 HydrophobicContact CE2-CD2 4.06Å; F464-L597 HydrophobicContact CZ-CD2 3.63Å; L594-L597 HydrophobicContact CD2-CD1 3.92Å; R595-L597 VanDerWaalsContact C-N 3.34Å; L597-W617 HydrophobicContact CD1-CB 4.49Å; L597-S619 PolarHBondContact O-N 3.35Å; L597-S619 PolarHBondContact O-OG 2.9Å; L597-L663 HydrophobicContact CD1-CD1 3.95Å | ||
| 598 | G | 85.4 | Confident | 77.5 | Confident | 55 Ų | 55 | 60.7 Ų | 60.7 | 57% | 0.567 | 35% | 0.351 | S | S | * | . | B | Isolated β-bridge | trans | -101.9 | 6.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S596 | S596-G598 PolarHBondContact O-N 3.22Å; S596-G598 VanDerWaalsContact O-N 3.13Å |
| 599 | G | 82.8 | Confident | 75.9 | Confident | 27 Ų | 27 | 69.1 Ų | 69.1 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 89.1 | -1.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | S616 W617 | G599-S616 CarbonylContact C-O 3.54Å; G599-S616 VanDerWaalsContact CA-O 3.3Å; G599-S616 WeakPolarHBondContact CA-O 3.49Å; G599-W617 WeakPolarHBondContact CA-O 3.5Å; G599-W617 PolarHBondContact N-O 3.21Å |
| 600 | N | 79.9 | Confident | 74.5 | Confident | 130 Ų | 130 | 67 Ų | 67 | 70% | 0.695 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -108.6 | 134.8 | 177.3 | -66.4 | -45.4 | 0 | 0 | 0 | 110.3 | ||
| 601 | P | 74.5 | Confident | 73.5 | Confident | 80 Ų | 80 | 69.4 Ų | 69.4 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -67.2 | 146.7 | 175.4 | 28.3 | -31.1 | 0 | 0 | 0 | 111.2 | L615 | P601-L615 WeakPolarHBondContact CA-O 3.44Š| ||
| 602 | P | 74.2 | Confident | 73.1 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 17% | 0.169 | 40% | 0.397 | C | S | . | . | trans | -67.2 | 154 | 176 | 28.1 | -31.4 | 0 | 0 | 0 | 110.8 | A463 F464 Q604 | A463-P602 HydrophobicContact CB-CG 4.21Å; A463-P602 WeakPolarHBondContact O-CB 3.47Å; F464-P602 HydrophobicContact CD1-CB 4.04Å; F464-P602 HydrophobicContact CD1-CG 4.29Å; F464-P602 HydrophobicContact CD2-CG 4.21Å; F464-P602 HydrophobicContact CE1-CB 3.97Å; F464-P602 HydrophobicContact CE1-CG 4Å; F464-P602 HydrophobicContact CE2-CG 3.93Å; F464-P602 HydrophobicContact CG-CB 4.44Å; F464-P602 HydrophobicContact CG-CG 4.39Å; F464-P602 HydrophobicContact CZ-CB 4.32Å; F464-P602 HydrophobicContact CZ-CG 3.82Å; P602-Q604 PolarHBondContact O-N 3.2Å | ||
| 603 | S | 67.6 | Low | 72.9 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 86% | 0.86 | 41% | 0.412 | S | S | * | . | trans | -61.9 | 102.3 | 173.4 | -26.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 604 | Q | 57.5 | Low | 72.8 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | trans | -75.7 | 139.1 | -179 | -73.1 | -177.1 | -5.7 | 0 | 0 | 110.8 | P602 V608 I610 | P602-Q604 PolarHBondContact O-N 3.2Å; Q604-V608 VanDerWaalsContact CD-O 3.31Å; Q604-V608 PolarHBondContact OE1-O 3.09Å; Q604-I610 PolarHBondContact NE2-O 2.86Å | ||
| 605 | P | 54.6 | Low | 72.6 | Confident | 78 Ų | 78 | 71.6 Ų | 71.6 | 51% | 0.506 | 41% | 0.409 | S | S | . | . | trans | -58.9 | 145.5 | 162.5 | -7.1 | 18.3 | 0 | 0 | 0 | 109.9 | D607 V608 | P605-D607 PolarHBondContact O-N 2.72Å; P605-V608 PolarHBondContact O-N 3.01Å | ||
| 606 | E | 51.4 | Low | 72.4 | Confident | 197 Ų | 197 | 70.1 Ų | 70.1 | 92% | 0.921 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -23.7 | -174.8 | -74.1 | -171.3 | 156.8 | 0 | 0 | 113.8 | ||
| 607 | D | 51.7 | Low | 72.7 | Confident | 145 Ų | 145 | 68.2 Ų | 68.2 | 78% | 0.775 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -5.6 | -174.7 | 30.5 | -48.8 | 0 | 0 | 0 | 114.5 | P605 | P605-D607 PolarHBondContact O-N 2.72Š|
| 608 | V | 50.9 | Low | 72.9 | Confident | 61 Ų | 61 | 72.6 Ų | 72.6 | 37% | 0.37 | 41% | 0.412 | S | S | . | . | trans | -124.6 | 87.8 | -179.8 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | Q604 P605 I610 | Q604-V608 VanDerWaalsContact CD-O 3.31Å; Q604-V608 PolarHBondContact OE1-O 3.09Å; P605-V608 PolarHBondContact O-N 3.01Å; V608-I610 HydrophobicContact CG1-CD1 3.47Å; V608-I610 VanDerWaalsContact CG1-CD1 3.47Å; V608-I610 HydrophobicContact CG1-CG1 3.66Å; V608-I610 PolarHBondContact O-N 3.27Å | ||
| 609 | K | 55 | Low | 73.4 | Confident | 191 Ų | 191 | 70.6 Ų | 70.6 | 83% | 0.83 | 39% | 0.389 | S | S | * | . | trans | -83.1 | 82.6 | 171 | -84.8 | -177.1 | 176.8 | 174.8 | 0 | 111.1 | ||||
| 610 | I | 58 | Low | 74 | Confident | 47 Ų | 47 | 71 Ų | 71 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -94.2 | 112.7 | 169.7 | -63.8 | 165 | 0 | 0 | 0 | 108.1 | I455 Q604 V608 S612 L615 | I455-I610 HydrophobicContact CD1-CG2 3.64Å; I455-I610 HydrophobicContact CG1-CG2 4.33Å; Q604-I610 PolarHBondContact NE2-O 2.86Å; V608-I610 HydrophobicContact CG1-CD1 3.47Å; V608-I610 VanDerWaalsContact CG1-CD1 3.47Å; V608-I610 HydrophobicContact CG1-CG1 3.66Å; V608-I610 PolarHBondContact O-N 3.27Å; I610-S612 VanDerWaalsContact C-N 3.34Å; I610-L615 HydrophobicContact CB-CD1 3.89Å; I610-L615 HydrophobicContact CG2-CD1 3.62Å; I610-L615 HydrophobicContact CG2-CG 4.4Å | ||
| 611 | T | 71 | Confident | 74.8 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 47% | 0.466 | 37% | 0.371 | S | S | . | . | trans | -90.6 | 6.2 | -176.3 | 52 | 0 | 0 | 0 | 0 | 113.8 | E452 T613 | E452-T611 WeakPolarHBondContact CB-OG1 3.24Å; E452-T611 CarbonylContact O-C 3.36Å; E452-T611 PolarHBondContact O-OG1 3.39Å; T611-T613 PolarHBondContact O-N 2.58Å | ||
| 612 | S | 82.4 | Confident | 75.8 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 3% | 0.028 | 35% | 0.35 | C | S | . | . | trans | -68.7 | 132.4 | -177.3 | -172.9 | 0 | 0 | 0 | 0 | 112.3 | E452 G453 H577 I610 V614 L615 | E452-S612 WeakPolarHBondContact O-CA 3.33Å; E452-S612 WeakPolarHBondContact O-CB 3.34Å; E452-S612 PolarHBondContact O-N 3.45Å; E452-S612 VanDerWaalsContact O-N 3.09Å; G453-S612 WeakPolarHBondContact O-CB 3.46Å; G453-S612 PolarHBondContact O-OG 2.98Å; H577-S612 PolarHBondContact ND1-OG 2.95Å; I610-S612 VanDerWaalsContact C-N 3.34Å; S612-V614 PolarHBondContact O-N 3.09Å; S612-V614 VanDerWaalsContact O-N 3.16Å; S612-V614 WeakPolarHBondContact OG-CB 3.24Å; S612-V614 VanDerWaalsContact OG-CG2 3.27Å; S612-V614 WeakPolarHBondContact OG-CG2 3.22Å; S612-V614 PolarHBondContact OG-N 3.43Å; S612-V614 VanDerWaalsContact OG-N 3.15Å; S612-L615 PolarHBondContact O-N 3.06Å | ||
| 613 | T | 85.6 | Confident | 76.9 | Confident | 62 Ų | 62 | 66.5 Ų | 66.5 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -63.3 | -15.3 | 170.5 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | H577 T611 L615 S616 W617 | H577-T613 WeakPolarHBondContact CB-OG1 3.39Å; H577-T613 PolarHBondContact ND1-N 2.9Å; H577-T613 PolarHBondContact ND1-OG1 3.47Å; T611-T613 PolarHBondContact O-N 2.58Å; T613-L615 PolarHBondContact O-N 3.47Å; T613-S616 WeakPolarHBondContact CA-OG 3.45Å; T613-S616 CarbonylContact O-C 3.29Å; T613-S616 WeakPolarHBondContact O-CA 3.38Å; T613-S616 PolarHBondContact O-N 2.79Å; T613-S616 PolarHBondContact O-OG 2.95Å; T613-W617 PolarHBondContact O-N 2.98Å |
| 614 | V | 87.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -58 | -34.6 | 175.4 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | I455 M460 L579 S612 S616 W617 | I455-V614 HydrophobicContact CB-CB 4.43Å; I455-V614 HydrophobicContact CB-CG1 4.16Å; I455-V614 HydrophobicContact CD1-CB 4.19Å; I455-V614 HydrophobicContact CD1-CG1 4.44Å; I455-V614 HydrophobicContact CG2-CG1 4.48Å; M460-V614 HydrophobicContact CE-CG1 3.25Å; L579-V614 HydrophobicContact CB-CG1 4.24Å; S612-V614 PolarHBondContact O-N 3.09Å; S612-V614 VanDerWaalsContact O-N 3.16Å; S612-V614 WeakPolarHBondContact OG-CB 3.24Å; S612-V614 VanDerWaalsContact OG-CG2 3.27Å; S612-V614 WeakPolarHBondContact OG-CG2 3.22Å; S612-V614 PolarHBondContact OG-N 3.43Å; S612-V614 VanDerWaalsContact OG-N 3.15Å; V614-S616 PolarHBondContact O-N 3.23Å; V614-W617 HydrophobicContact CB-CD2 4.4Å; V614-W617 HydrophobicContact CB-CZ2 4.37Å; V614-W617 HydrophobicContact CG1-CD2 4.22Å; V614-W617 HydrophobicContact CG1-CE3 4.18Å; V614-W617 HydrophobicContact CG1-CH2 4.42Å; V614-W617 HydrophobicContact CG1-CZ2 4.46Å; V614-W617 HydrophobicContact CG1-CZ3 4.3Å; V614-W617 HydrophobicContact CG2-CH2 4.14Å; V614-W617 HydrophobicContact CG2-CZ2 3.65Å; V614-W617 WeakPolarHBondContact O-CB 3.41Å; V614-W617 PolarHBondContact O-N 3.39Å |
| 615 | L | 86.4 | Confident | 80 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -71.8 | -16.6 | 177.4 | -64 | 179.8 | 0 | 0 | 0 | 113.2 | I455 A463 F464 P601 I610 S612 T613 | I455-L615 HydrophobicContact CD1-CD1 4.12Å; I455-L615 HydrophobicContact CD1-CD2 3.69Å; I455-L615 HydrophobicContact CD1-CG 3.55Å; A463-L615 HydrophobicContact CB-CD2 3.84Å; F464-L615 HydrophobicContact CE2-CD2 3.92Å; P601-L615 WeakPolarHBondContact CA-O 3.44Å; I610-L615 HydrophobicContact CB-CD1 3.89Å; I610-L615 HydrophobicContact CG2-CD1 3.62Å; I610-L615 HydrophobicContact CG2-CG 4.4Å; S612-L615 PolarHBondContact O-N 3.06Å; T613-L615 PolarHBondContact O-N 3.47Å |
| 616 | S | 88.5 | Confident | 81.6 | Confident | 41 Ų | 41 | 55.1 Ų | 55.1 | 29% | 0.287 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -106.5 | 17.4 | 178 | 26.3 | 0 | 0 | 0 | 0 | 111.9 | G599 T613 V614 | G599-S616 CarbonylContact C-O 3.54Å; G599-S616 VanDerWaalsContact CA-O 3.3Å; G599-S616 WeakPolarHBondContact CA-O 3.49Å; T613-S616 WeakPolarHBondContact CA-OG 3.45Å; T613-S616 CarbonylContact O-C 3.29Å; T613-S616 WeakPolarHBondContact O-CA 3.38Å; T613-S616 PolarHBondContact O-N 2.79Å; T613-S616 PolarHBondContact O-OG 2.95Å; V614-S616 PolarHBondContact O-N 3.23Å |
| 617 | W | 92 | Very high | 83.2 | Confident | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | trans | -66.9 | 151.1 | 176 | -77.8 | -0.4 | 0 | 0 | 0 | 112.6 | I562 L579 L597 G599 T613 V614 D662 L663 | I562-W617 WeakPolarHBondContact O-CH2 3.3Å; L579-W617 HydrophobicContact CB-CH2 3.81Å; L579-W617 HydrophobicContact CB-CZ3 3.56Å; L579-W617 HydrophobicContact CD2-CZ3 4.45Å; L597-W617 HydrophobicContact CD1-CB 4.49Å; G599-W617 WeakPolarHBondContact CA-O 3.5Å; G599-W617 PolarHBondContact N-O 3.21Å; T613-W617 PolarHBondContact O-N 2.98Å; V614-W617 HydrophobicContact CB-CD2 4.4Å; V614-W617 HydrophobicContact CB-CZ2 4.37Å; V614-W617 HydrophobicContact CG1-CD2 4.22Å; V614-W617 HydrophobicContact CG1-CE3 4.18Å; V614-W617 HydrophobicContact CG1-CH2 4.42Å; V614-W617 HydrophobicContact CG1-CZ2 4.46Å; V614-W617 HydrophobicContact CG1-CZ3 4.3Å; V614-W617 HydrophobicContact CG2-CH2 4.14Å; V614-W617 HydrophobicContact CG2-CZ2 3.65Å; V614-W617 WeakPolarHBondContact O-CB 3.41Å; V614-W617 PolarHBondContact O-N 3.39Å; W617-D662 VanDerWaalsContact CA-OD2 3.22Å; W617-D662 WeakPolarHBondContact CA-OD2 3.34Å; W617-D662 HydrophobicContact CB-CB 3.94Å; W617-D662 VanDerWaalsContact CD1-CG 3.49Å; W617-D662 HydrophobicContact CD2-CB 3.87Å; W617-D662 HydrophobicContact CE3-CB 4.39Å; W617-D662 HydrophobicContact CG-CB 3.66Å; W617-L663 HydrophobicContact CE3-CD1 4.02Å; W617-L663 HydrophobicContact CE3-CD2 4.38Å; W617-L663 HydrophobicContact CE3-CG 4.08Å; W617-L663 HydrophobicContact CZ3-CD1 4.44Å; W617-L663 HydrophobicContact CZ3-CD2 4.2Å; W617-L663 HydrophobicContact CZ3-CG 4.4Å | ||
| 618 | R | 94.1 | Very high | 84.2 | Confident | 97 Ų | 97 | 44 Ų | 44 | 37% | 0.366 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -111.2 | 131.2 | 171.8 | -175.7 | 177.8 | 179.1 | -178.1 | 1.5 | 109.9 | D659 V661 D662 L663 | R618-D659 PolarHBondContact NH1-O 2.78Å; R618-V661 WeakPolarHBondContact O-CG1 3.21Å; R618-D662 PolarHBondContact N-OD2 3Å; R618-D662 PolarHBondContact O-N 3.4Å; R618-L663 PolarHBondContact O-N 2.78Å |
| 619 | S | 94.6 | Very high | 85 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 10% | 0.098 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 150.7 | 167.4 | 68.7 | 0 | 0 | 0 | 0 | 111.1 | L594 L597 L663 | L594-S619 WeakPolarHBondContact O-CB 3.47Å; L594-S619 PolarHBondContact O-OG 2.69Å; L597-S619 PolarHBondContact O-N 3.35Å; L597-S619 PolarHBondContact O-OG 2.9Å; S619-L663 CarbonylContact C-O 3.55Å; S619-L663 VanDerWaalsContact CA-O 3.27Å; S619-L663 WeakPolarHBondContact CA-O 3.47Å |
| 620 | V | 95.9 | Very high | 85 | Confident | 35 Ų | 35 | 45 Ų | 45 | 21% | 0.212 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 140 | 169.9 | 101.6 | 0 | 0 | 0 | 0 | 109.1 | L622 A655 V661 L663 L664 I665 | V620-L622 HydrophobicContact CG1-CD2 3.96Å; V620-L622 HydrophobicContact CG1-CG 4.14Å; V620-A655 HydrophobicContact CG1-CB 4.27Å; V620-V661 HydrophobicContact CB-CG1 3.95Å; V620-V661 HydrophobicContact CB-CG2 4.2Å; V620-V661 HydrophobicContact CG1-CG1 4.27Å; V620-L663 PolarHBondContact N-O 2.92Å; V620-L664 HydrophobicContact CG1-CD2 3.61Å; V620-I665 PolarHBondContact O-N 3.42Å |
| 621 | I | 96.3 | Very high | 84.5 | Confident | 71 Ų | 71 | 45 Ų | 45 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.4 | 176.7 | -58.5 | 167.2 | 0 | 0 | 0 | 108 | R595 I665 | R595-I621 HydrophobicContact CB-CD1 4.45Å; R595-I621 HydrophobicContact CG-CD1 4.15Å; I621-I665 CarbonylContact C-O 3.44Å; I621-I665 WeakPolarHBondContact CA-O 3.31Å; I621-I665 HydrophobicContact CG1-CB 4.22Å; I621-I665 HydrophobicContact CG1-CD1 4.29Å; I621-I665 HydrophobicContact CG1-CG2 4.45Å |
| 622 | L | 97.1 | Very high | 83.4 | Confident | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 105.5 | 171.1 | -60.3 | -179.3 | 0 | 0 | 0 | 108 | V620 T624 L648 K651 A652 L664 I665 I666 S667 | V620-L622 HydrophobicContact CG1-CD2 3.96Å; V620-L622 HydrophobicContact CG1-CG 4.14Å; L622-T624 PolarHBondContact O-N 2.95Å; L622-L648 HydrophobicContact CB-CD1 3.89Å; L622-L648 HydrophobicContact CD1-CD1 4.32Å; L622-K651 HydrophobicContact CD2-CB 4.3Å; L622-A652 HydrophobicContact CD1-CB 3.76Å; L622-L664 HydrophobicContact CD1-CB 4.42Å; L622-L664 HydrophobicContact CD1-CD1 4.4Å; L622-L664 HydrophobicContact CD1-CD2 4.14Å; L622-I665 PolarHBondContact N-O 3.19Å; L622-I666 HydrophobicContact CD1-CG1 4.5Å; L622-S667 PolarHBondContact O-N 3.4Å |
| 623 | D | 96.1 | Very high | 81.9 | Confident | 56 Ų | 56 | 50.2 Ų | 50.2 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 122 | 175.9 | 177 | 13.3 | 0 | 0 | 0 | 110.5 | T625 R675 | D623-T625 WeakPolarHBondContact OD1-CB 3.32Å; D623-T625 WeakPolarHBondContact OD1-CG2 3.49Å; D623-T625 PolarHBondContact OD1-N 3.38Å; D623-T625 PolarHBondContact OD1-OG1 3.44Å; D623-T625 PolarHBondContact OD2-OG1 3.24Å; D623-T625 VanDerWaalsContact OD2-OG1 3.07Å; D623-R675 IonicContact OD2-CZ 3.66Å; D623-R675 IonicContact OD2-NE 2.7Å; D623-R675 IonicContact OD2-NH2 2.64Å; D623-R675 PolarHBondContact OD2-NH2 3.03Å |
| 624 | T | 96 | Very high | 80.8 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -103.7 | 42.7 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 112.3 | L622 L648 I666 S667 V678 A683 | L622-T624 PolarHBondContact O-N 2.95Å; T624-L648 HydrophobicContact CG2-CD1 4.25Å; T624-L648 HydrophobicContact CG2-CD2 3.9Å; T624-I666 HydrophobicContact CG2-CG2 3.3Å; T624-S667 PolarHBondContact N-O 3.12Å; T624-S667 VanDerWaalsContact OG1-C 3.3Å; T624-S667 PolarHBondContact OG1-O 3.41Å; T624-S667 VanDerWaalsContact OG1-O 3.08Å; T624-V678 WeakPolarHBondContact O-CB 3.41Å; T624-V678 PolarHBondContact O-N 3.5Å; T624-A683 HydrophobicContact CG2-CB 3.67Å | ||
| 625 | T | 94.2 | Very high | 80.1 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.2 | 174.9 | 63.7 | 0 | 0 | 0 | 0 | 112 | D623 A670 R675 L676 | D623-T625 WeakPolarHBondContact OD1-CB 3.32Å; D623-T625 WeakPolarHBondContact OD1-CG2 3.49Å; D623-T625 PolarHBondContact OD1-N 3.38Å; D623-T625 PolarHBondContact OD1-OG1 3.44Å; D623-T625 PolarHBondContact OD2-OG1 3.24Å; D623-T625 VanDerWaalsContact OD2-OG1 3.07Å; T625-A670 HydrophobicContact CG2-CB 4.16Å; T625-R675 PolarHBondContact O-NH2 3.41Å; T625-R675 PolarHBondContact OG1-NE 2.64Å; T625-R675 PolarHBondContact OG1-NH2 3.23Å; T625-R675 VanDerWaalsContact OG1-NH2 3.11Å; T625-L676 CarbonylContact C-O 2.97Å; T625-L676 VanDerWaalsContact CA-O 3.28Å; T625-L676 WeakPolarHBondContact CA-O 3.49Å |
| 626 | L | 88.8 | Confident | 80 | Confident | 34 Ų | 34 | 65 Ų | 65 | 18% | 0.178 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 135.1 | 179.9 | -85.3 | 159.2 | 0 | 0 | 0 | 110.1 | V628 L641 F644 R675 L676 V678 | L626-V628 PolarHBondContact O-N 2.85Å; L626-L641 HydrophobicContact CD1-CD1 4.26Å; L626-F644 HydrophobicContact CD1-CB 4.44Å; L626-F644 HydrophobicContact CD1-CG 4.34Å; L626-F644 HydrophobicContact CD2-CB 3.73Å; L626-F644 HydrophobicContact CD2-CD2 3.34Å; L626-F644 HydrophobicContact CD2-CE2 4.06Å; L626-F644 HydrophobicContact CD2-CG 3.64Å; L626-F644 HydrophobicContact CG-CB 4.3Å; L626-F644 HydrophobicContact CG-CD1 4.38Å; L626-F644 HydrophobicContact CG-CD2 3.74Å; L626-F644 HydrophobicContact CG-CE2 4.1Å; L626-F644 HydrophobicContact CG-CG 3.88Å; L626-R675 CarbonylContact O-C 3.54Å; L626-R675 WeakPolarHBondContact O-CA 3.18Å; L626-L676 HydrophobicContact CB-CB 4.23Å; L626-L676 PolarHBondContact N-O 3.03Å; L626-L676 PolarHBondContact O-N 2.89Å; L626-V678 HydrophobicContact CD1-CG2 3.57Å; L626-V678 HydrophobicContact CG-CG2 3.98Å |
| 627 | S | 84.6 | Confident | 79.6 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129.5 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | N629 E630 | S627-N629 VanDerWaalsContact C-N 3.32Å; S627-E630 WeakPolarHBondContact CB-OE2 3.46Å |
| 628 | V | 73.7 | Confident | 79.5 | Confident | 66 Ų | 66 | 66.4 Ų | 66.4 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -70.2 | -31.9 | 179.9 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | L626 D674 L676 | L626-V628 PolarHBondContact O-N 2.85Å; V628-D674 WeakPolarHBondContact CG2-O 3.45Å; V628-D674 PolarHBondContact N-O 3.47Å; V628-L676 HydrophobicContact CG2-CB 4.27Å |
| 629 | N | 67.4 | Low | 79.3 | Confident | 127 Ų | 127 | 64.7 Ų | 64.7 | 68% | 0.679 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -94.2 | -5 | -170.8 | -66.7 | -33.2 | 0 | 0 | 0 | 114.6 | S627 G631 | S627-N629 VanDerWaalsContact C-N 3.32Å; N629-G631 PolarHBondContact O-N 2.94Å |
| 630 | E | 54.5 | Low | 79 | Confident | 144 Ų | 144 | 67.2 Ų | 67.2 | 67% | 0.673 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -83.9 | 109.2 | -178.2 | -78.4 | -178.5 | 156.1 | 0 | 0 | 112.2 | S627 K640 | S627-E630 WeakPolarHBondContact CB-OE2 3.46Å; E630-K640 PolarHBondContact O-NZ 3.12Å |
| 631 | G | 48 | Very low | 78.8 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 51% | 0.505 | 38% | 0.384 | S | S | . | . | trans | 95.8 | 89.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | N629 G633 K640 | N629-G631 PolarHBondContact O-N 2.94Å; G631-G633 PolarHBondContact O-N 3.25Å; G631-K640 PolarHBondContact O-NZ 3.39Å | ||
| 632 | S | 46.5 | Very low | 78.8 | Confident | 137 Ų | 137 | 66.1 Ų | 66.1 | 96% | 0.958 | 38% | 0.383 | S | S | * | . | trans | -76.1 | 20.2 | 165 | 48.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 633 | G | 51.9 | Low | 78.6 | Confident | 51 Ų | 51 | 69.9 Ų | 69.9 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -86 | 165.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | G631 I635 | G631-G633 PolarHBondContact O-N 3.25Å; G633-I635 PolarHBondContact O-N 2.82Å |
| 634 | E | 63.1 | Low | 78.5 | Confident | 213 Ų | 213 | 68.6 Ų | 68.6 | 100% | 0.995 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -55.8 | 4.7 | -177.1 | -70.1 | -179.2 | 146.6 | 0 | 0 | 116.9 | ||
| 635 | I | 72.9 | Confident | 78.6 | Confident | 115 Ų | 115 | 68.6 Ų | 68.6 | 59% | 0.59 | 39% | 0.392 | S | S | * | . | trans | -86.2 | 127.4 | -175.1 | -56.5 | 173.2 | 0 | 0 | 0 | 110.2 | G633 K640 | G633-I635 PolarHBondContact O-N 2.82Å; I635-K640 HydrophobicContact CG2-CG 4.19Å | ||
| 636 | S | 83.4 | Confident | 78.7 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | trans | -64.1 | 155.6 | -179.8 | 89 | 0 | 0 | 0 | 0 | 112.9 | G638 S639 K640 E815 | S636-G638 VanDerWaalsContact C-N 3.3Å; S636-G638 PolarHBondContact O-N 3.42Å; S636-S639 WeakPolarHBondContact O-CB 3.26Å; S636-S639 PolarHBondContact O-N 3.28Å; S636-S639 VanDerWaalsContact O-N 3.14Å; S636-S639 PolarHBondContact OG-N 3.15Å; S636-S639 PolarHBondContact OG-OG 3.1Å; S636-K640 PolarHBondContact O-N 3.39Å; S636-K640 VanDerWaalsContact O-N 3.1Å; S636-E815 WeakPolarHBondContact CB-OE2 3.33Å; S636-E815 PolarHBondContact OG-OE2 2.73Å | ||
| 637 | L | 81.3 | Confident | 79 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 38% | 0.382 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | -177.6 | -122.1 | 136.3 | 0 | 0 | 0 | 111.8 | K640 L641 E815 A818 T822 | L637-K640 PolarHBondContact O-N 3.18Å; L637-L641 PolarHBondContact O-N 3.34Å; L637-E815 PolarHBondContact N-OE2 2.82Å; L637-A818 HydrophobicContact CB-CB 4.14Å; L637-A818 HydrophobicContact CD2-CB 3.92Å; L637-T822 VanDerWaalsContact CD2-OG1 3.29Å; L637-T822 WeakPolarHBondContact CD2-OG1 3.41Å |
| 638 | G | 88.3 | Confident | 79.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.8 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | S636 K640 L641 F642 F814 E815 | S636-G638 VanDerWaalsContact C-N 3.3Å; S636-G638 PolarHBondContact O-N 3.42Å; G638-K640 VanDerWaalsContact C-N 3.33Å; G638-K640 PolarHBondContact O-N 3.48Å; G638-L641 PolarHBondContact O-N 3.42Å; G638-F642 WeakPolarHBondContact O-CB 3.4Å; G638-F642 PolarHBondContact O-N 3.03Å; G638-F814 VanDerWaalsContact CA-O 3.31Å; G638-F814 WeakPolarHBondContact CA-O 3.35Å; G638-E815 VanDerWaalsContact CA-OE2 3.31Å; G638-E815 WeakPolarHBondContact CA-OE2 3.41Å; G638-E815 PolarHBondContact N-OE2 2.95Å |
| 639 | S | 90.6 | Very high | 80.8 | Confident | 61 Ų | 61 | 67 Ų | 67 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | S636 F642 Q643 | S636-S639 WeakPolarHBondContact O-CB 3.26Å; S636-S639 PolarHBondContact O-N 3.28Å; S636-S639 VanDerWaalsContact O-N 3.14Å; S636-S639 PolarHBondContact OG-N 3.15Å; S636-S639 PolarHBondContact OG-OG 3.1Å; S639-F642 PolarHBondContact O-N 3.46Å; S639-Q643 WeakPolarHBondContact O-CB 3.37Å; S639-Q643 PolarHBondContact O-N 3.11Å |
| 640 | K | 88.5 | Confident | 82.2 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 30% | 0.296 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 172.4 | -68.6 | -173.7 | -177.1 | -175.5 | 0 | 112.2 | E630 G631 I635 S636 L637 G638 Q643 F644 | E630-K640 PolarHBondContact O-NZ 3.12Å; G631-K640 PolarHBondContact O-NZ 3.39Å; I635-K640 HydrophobicContact CG2-CG 4.19Å; S636-K640 PolarHBondContact O-N 3.39Å; S636-K640 VanDerWaalsContact O-N 3.1Å; L637-K640 PolarHBondContact O-N 3.18Å; G638-K640 VanDerWaalsContact C-N 3.33Å; G638-K640 PolarHBondContact O-N 3.48Å; K640-Q643 PolarHBondContact O-N 3.01Å; K640-F644 WeakPolarHBondContact O-CB 3.37Å; K640-F644 PolarHBondContact O-N 3.33Å |
| 641 | L | 92.7 | Very high | 84.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.6 | 175.4 | 60.1 | 0 | 0 | 0 | 111.3 | L626 L637 G638 F644 L645 V678 L682 F814 L817 A818 | L626-L641 HydrophobicContact CD1-CD1 4.26Å; L637-L641 PolarHBondContact O-N 3.34Å; G638-L641 PolarHBondContact O-N 3.42Å; L641-F644 PolarHBondContact O-N 3.08Å; L641-L645 HydrophobicContact CD1-CD1 4.4Å; L641-L645 HydrophobicContact CD1-CG 4.45Å; L641-L645 HydrophobicContact CG-CD1 4.4Å; L641-L645 WeakPolarHBondContact O-CG 3.31Å; L641-L645 PolarHBondContact O-N 3.04Å; L641-V678 HydrophobicContact CD1-CB 4.47Å; L641-V678 HydrophobicContact CD1-CG1 3.88Å; L641-V678 HydrophobicContact CD1-CG2 3.94Å; L641-L682 HydrophobicContact CD2-CD1 4.43Å; L641-F814 HydrophobicContact CD2-CD1 4.05Å; L641-F814 HydrophobicContact CG-CD1 4.2Å; L641-L817 HydrophobicContact CD2-CB 4.42Å; L641-A818 HydrophobicContact CB-CB 4.21Å; L641-A818 HydrophobicContact CD2-CB 3.97Å |
| 642 | F | 95 | Very high | 86.5 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 33% | 0.333 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.2 | -178.5 | -100.2 | 0 | 0 | 0 | 112.1 | G638 S639 F644 L645 L646 M800 F814 | G638-F642 WeakPolarHBondContact O-CB 3.4Å; G638-F642 PolarHBondContact O-N 3.03Å; S639-F642 PolarHBondContact O-N 3.46Å; F642-F644 VanDerWaalsContact C-N 3.34Å; F642-F644 PolarHBondContact O-N 3.43Å; F642-L645 PolarHBondContact O-N 3.25Å; F642-L646 HydrophobicContact CD1-CD1 3.91Å; F642-L646 HydrophobicContact CE1-CD1 3.45Å; F642-L646 VanDerWaalsContact CE1-CD1 3.45Å; F642-L646 HydrophobicContact CE1-CG 4.16Å; F642-L646 HydrophobicContact CZ-CD1 4.09Å; F642-L646 HydrophobicContact CZ-CG 4.42Å; F642-L646 PolarHBondContact O-N 3.07Å; F642-M800 HydrophobicContact CD2-CG 4.32Å; F642-M800 HydrophobicContact CE2-CB 4.16Å; F642-M800 HydrophobicContact CE2-CG 3.9Å; F642-M800 HydrophobicContact CE2-SD 4.08Å; F642-F814 HydrophobicContact CB-CD2 4.31Å; F642-F814 HydrophobicContact CB-CG 4.33Å; F642-F814 AromaticContact CD2-CD2 3.85Å; F642-F814 HydrophobicContact CD2-CD2 3.85Å; F642-F814 HydrophobicContact CD2-CE1 4.47Å; F642-F814 AromaticContact CD2-CE2 3.43Å; F642-F814 HydrophobicContact CD2-CE2 3.43Å; F642-F814 VanDerWaalsContact CD2-CE2 3.43Å; F642-F814 AromaticContact CD2-CZ 3.78Å; F642-F814 HydrophobicContact CD2-CZ 3.78Å; F642-F814 HydrophobicContact CE2-CE2 4.01Å; F642-F814 HydrophobicContact CE2-CZ 4.39Å; F642-F814 HydrophobicContact CG-CD2 4.48Å; F642-F814 HydrophobicContact CG-CE2 4.44Å |
| 643 | Q | 93.3 | Very high | 88.9 | Confident | 94 Ų | 94 | 54.8 Ų | 54.8 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.8 | -171.7 | 58.9 | 46.1 | 0 | 0 | 111.7 | S639 K640 L645 L646 D647 | S639-Q643 WeakPolarHBondContact O-CB 3.37Å; S639-Q643 PolarHBondContact O-N 3.11Å; K640-Q643 PolarHBondContact O-N 3.01Å; Q643-L645 VanDerWaalsContact C-N 3.32Å; Q643-L645 PolarHBondContact O-N 2.8Å; Q643-L646 WeakPolarHBondContact O-CB 3.37Å; Q643-L646 PolarHBondContact O-N 2.88Å; Q643-L646 VanDerWaalsContact O-N 3.13Å; Q643-D647 PolarHBondContact NE2-OD1 2.83Å; Q643-D647 VanDerWaalsContact O-CG 3.26Å; Q643-D647 PolarHBondContact O-N 2.75Å |
| 644 | F | 94.6 | Very high | 91 | Very high | 29 Ų | 29 | 56.1 Ų | 56.1 | 13% | 0.127 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.4 | 179.8 | -85.8 | 0 | 0 | 0 | 112.4 | L626 K640 L641 F642 L646 D647 L648 V678 | L626-F644 HydrophobicContact CD1-CB 4.44Å; L626-F644 HydrophobicContact CD1-CG 4.34Å; L626-F644 HydrophobicContact CD2-CB 3.73Å; L626-F644 HydrophobicContact CD2-CD2 3.34Å; L626-F644 HydrophobicContact CD2-CE2 4.06Å; L626-F644 HydrophobicContact CD2-CG 3.64Å; L626-F644 HydrophobicContact CG-CB 4.3Å; L626-F644 HydrophobicContact CG-CD1 4.38Å; L626-F644 HydrophobicContact CG-CD2 3.74Å; L626-F644 HydrophobicContact CG-CE2 4.1Å; L626-F644 HydrophobicContact CG-CG 3.88Å; K640-F644 WeakPolarHBondContact O-CB 3.37Å; K640-F644 PolarHBondContact O-N 3.33Å; L641-F644 PolarHBondContact O-N 3.08Å; F642-F644 VanDerWaalsContact C-N 3.34Å; F642-F644 PolarHBondContact O-N 3.43Å; F644-L646 VanDerWaalsContact C-N 3.31Å; F644-L646 PolarHBondContact O-N 3.49Å; F644-D647 PolarHBondContact O-N 2.84Å; F644-L648 VanDerWaalsContact O-CB 3.26Å; F644-L648 WeakPolarHBondContact O-CB 3.42Å; F644-L648 PolarHBondContact O-N 2.92Å; F644-V678 HydrophobicContact CD1-CG2 3.67Å; F644-V678 HydrophobicContact CE1-CB 4.36Å; F644-V678 HydrophobicContact CE1-CG2 3.59Å; F644-V678 HydrophobicContact CG-CG2 4.5Å; F644-V678 HydrophobicContact CZ-CG2 4.36Å |
| 645 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -38 | 174.9 | -70.6 | 170.1 | 0 | 0 | 0 | 111.4 | L641 F642 Q643 L648 C649 V678 L682 A683 A686 M800 F814 | L641-L645 HydrophobicContact CD1-CD1 4.4Å; L641-L645 HydrophobicContact CD1-CG 4.45Å; L641-L645 HydrophobicContact CG-CD1 4.4Å; L641-L645 WeakPolarHBondContact O-CG 3.31Å; L641-L645 PolarHBondContact O-N 3.04Å; F642-L645 PolarHBondContact O-N 3.25Å; Q643-L645 VanDerWaalsContact C-N 3.32Å; Q643-L645 PolarHBondContact O-N 2.8Å; L645-L648 PolarHBondContact O-N 3.32Å; L645-C649 WeakPolarHBondContact O-CB 3.47Å; L645-C649 PolarHBondContact O-N 3.48Å; L645-C649 PolarHBondContact O-SG 2.85Å; L645-V678 HydrophobicContact CD2-CG1 4.02Å; L645-L682 HydrophobicContact CD1-CB 4.44Å; L645-L682 HydrophobicContact CD2-CB 4.44Å; L645-A683 HydrophobicContact CD2-CB 4.46Å; L645-A686 HydrophobicContact CB-CB 4.49Å; L645-A686 HydrophobicContact CD2-CB 4.21Å; L645-M800 HydrophobicContact CB-CE 3.89Å; L645-F814 HydrophobicContact CD1-CD1 4.35Å; L645-F814 HydrophobicContact CD1-CE1 3.66Å; L645-F814 HydrophobicContact CD1-CZ 4.44Å |
| 646 | L | 96.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 41.3 Ų | 41.3 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.1 | -48.7 | 172.2 | -75.7 | 170.9 | 0 | 0 | 0 | 111.7 | F642 Q643 F644 L648 C649 D650 M800 | F642-L646 HydrophobicContact CD1-CD1 3.91Å; F642-L646 HydrophobicContact CE1-CD1 3.45Å; F642-L646 VanDerWaalsContact CE1-CD1 3.45Å; F642-L646 HydrophobicContact CE1-CG 4.16Å; F642-L646 HydrophobicContact CZ-CD1 4.09Å; F642-L646 HydrophobicContact CZ-CG 4.42Å; F642-L646 PolarHBondContact O-N 3.07Å; Q643-L646 WeakPolarHBondContact O-CB 3.37Å; Q643-L646 PolarHBondContact O-N 2.88Å; Q643-L646 VanDerWaalsContact O-N 3.13Å; F644-L646 VanDerWaalsContact C-N 3.31Å; F644-L646 PolarHBondContact O-N 3.49Å; L646-L648 VanDerWaalsContact C-N 3.28Å; L646-L648 PolarHBondContact O-N 2.87Å; L646-C649 VanDerWaalsContact O-CB 3.32Å; L646-C649 WeakPolarHBondContact O-CB 3.31Å; L646-C649 PolarHBondContact O-N 2.8Å; L646-C649 VanDerWaalsContact O-N 3.14Å; L646-D650 PolarHBondContact O-N 3.33Å; L646-M800 HydrophobicContact CD2-CE 3.68Å; L646-M800 HydrophobicContact CD2-SD 4.23Å; L646-M800 HydrophobicContact CG-CE 3.87Å |
| 647 | D | 96.2 | Very high | 93.9 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -37 | 179.3 | -62.9 | -8.7 | 0 | 0 | 0 | 111.3 | Q643 F644 D650 K651 | Q643-D647 PolarHBondContact NE2-OD1 2.83Å; Q643-D647 VanDerWaalsContact O-CG 3.26Å; Q643-D647 PolarHBondContact O-N 2.75Å; F644-D647 PolarHBondContact O-N 2.84Å; D647-D650 PolarHBondContact O-N 2.99Å; D647-K651 WeakPolarHBondContact O-CB 3.11Å; D647-K651 VanDerWaalsContact O-CG 3.3Å; D647-K651 WeakPolarHBondContact O-CG 3.31Å; D647-K651 PolarHBondContact O-N 3.03Å |
| 648 | L | 97 | Very high | 94.4 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 173.8 | -177.9 | 70.2 | 0 | 0 | 0 | 111.1 | L622 T624 F644 L645 L646 D650 K651 A652 A683 V687 | L622-L648 HydrophobicContact CB-CD1 3.89Å; L622-L648 HydrophobicContact CD1-CD1 4.32Å; T624-L648 HydrophobicContact CG2-CD1 4.25Å; T624-L648 HydrophobicContact CG2-CD2 3.9Å; F644-L648 VanDerWaalsContact O-CB 3.26Å; F644-L648 WeakPolarHBondContact O-CB 3.42Å; F644-L648 PolarHBondContact O-N 2.92Å; L645-L648 PolarHBondContact O-N 3.32Å; L646-L648 VanDerWaalsContact C-N 3.28Å; L646-L648 PolarHBondContact O-N 2.87Å; L648-D650 VanDerWaalsContact C-N 3.31Å; L648-D650 PolarHBondContact O-N 3.23Å; L648-K651 PolarHBondContact O-N 2.82Å; L648-A652 WeakPolarHBondContact O-CB 3.5Å; L648-A652 PolarHBondContact O-N 3.33Å; L648-A683 HydrophobicContact CD2-CB 3.75Å; L648-V687 HydrophobicContact CD2-CG2 3.95Å; L648-V687 HydrophobicContact CG-CG2 3.88Å |
| 649 | C | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 173.6 | -74.7 | 0 | 0 | 0 | 0 | 111.6 | L645 L646 A652 E653 A686 R690 | L645-C649 WeakPolarHBondContact O-CB 3.47Å; L645-C649 PolarHBondContact O-N 3.48Å; L645-C649 PolarHBondContact O-SG 2.85Å; L646-C649 VanDerWaalsContact O-CB 3.32Å; L646-C649 WeakPolarHBondContact O-CB 3.31Å; L646-C649 PolarHBondContact O-N 2.8Å; L646-C649 VanDerWaalsContact O-N 3.14Å; C649-A652 PolarHBondContact O-N 3.3Å; C649-E653 WeakPolarHBondContact O-CB 3.35Å; C649-E653 PolarHBondContact O-N 3.24Å; C649-A686 PolarHBondContact SG-O 3.49Å; C649-A686 VanDerWaalsContact SG-O 3.34Å; C649-R690 HydrophobicContact CB-CB 4.04Å; C649-R690 HydrophobicContact CB-CG 3.97Å |
| 650 | D | 97.3 | Very high | 94 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69.2 | -39.8 | -179.7 | -67.7 | -12.7 | 0 | 0 | 0 | 111.5 | L646 D647 L648 E653 N654 R690 | L646-D650 PolarHBondContact O-N 3.33Å; D647-D650 PolarHBondContact O-N 2.99Å; L648-D650 VanDerWaalsContact C-N 3.31Å; L648-D650 PolarHBondContact O-N 3.23Å; D650-E653 PolarHBondContact O-N 3.03Å; D650-N654 WeakPolarHBondContact O-CB 3.24Å; D650-N654 VanDerWaalsContact O-CG 3.24Å; D650-N654 PolarHBondContact O-N 3.14Å; D650-N654 PolarHBondContact O-ND2 3.47Å; D650-N654 VanDerWaalsContact O-ND2 3.17Å; D650-R690 IonicContact OD1-CZ 2.83Å; D650-R690 VanDerWaalsContact OD1-CZ 3.3Å; D650-R690 IonicContact OD1-NH1 3.53Å; D650-R690 PolarHBondContact OD1-NH1 3.04Å; D650-R690 IonicContact OD1-NH2 2.62Å; D650-R690 PolarHBondContact OD1-NH2 3.41Å |
| 651 | K | 96.7 | Very high | 94.2 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 55% | 0.548 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.5 | -45 | 171.4 | -75.3 | 171.3 | -175.7 | 172.1 | 0 | 111.8 | L622 D647 L648 N654 A655 | L622-K651 HydrophobicContact CD2-CB 4.3Å; D647-K651 WeakPolarHBondContact O-CB 3.11Å; D647-K651 VanDerWaalsContact O-CG 3.3Å; D647-K651 WeakPolarHBondContact O-CG 3.31Å; D647-K651 PolarHBondContact O-N 3.03Å; L648-K651 PolarHBondContact O-N 2.82Å; K651-N654 PolarHBondContact O-N 3.44Å; K651-A655 VanDerWaalsContact O-CB 3.31Å; K651-A655 WeakPolarHBondContact O-CB 3.09Å; K651-A655 PolarHBondContact O-N 3.09Å |
| 652 | A | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | L622 L648 C649 A655 V656 L664 V687 | L622-A652 HydrophobicContact CD1-CB 3.76Å; L648-A652 WeakPolarHBondContact O-CB 3.5Å; L648-A652 PolarHBondContact O-N 3.33Å; C649-A652 PolarHBondContact O-N 3.3Å; A652-A655 PolarHBondContact O-N 3.43Å; A652-V656 WeakPolarHBondContact O-CG2 3.22Å; A652-V656 PolarHBondContact O-N 3.29Å; A652-V656 VanDerWaalsContact O-N 3.12Å; A652-L664 HydrophobicContact CB-CD1 3.96Å; A652-V687 HydrophobicContact CB-CG1 3.68Å; A652-V687 HydrophobicContact CB-CG2 4.17Å |
| 653 | E | 95.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.1 | -46.5 | 177.2 | -176.6 | 168.8 | 169.8 | 0 | 0 | 111.2 | C649 D650 V656 L657 R690 R694 L696 | C649-E653 WeakPolarHBondContact O-CB 3.35Å; C649-E653 PolarHBondContact O-N 3.24Å; D650-E653 PolarHBondContact O-N 3.03Å; E653-V656 PolarHBondContact O-N 3.24Å; E653-L657 HydrophobicContact CG-CD1 3.84Å; E653-L657 WeakPolarHBondContact O-CB 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.5Å; E653-L657 PolarHBondContact O-N 2.94Å; E653-R690 IonicContact OE2-NH1 2.78Å; E653-R690 PolarHBondContact OE2-NH1 3.49Å; E653-R694 IonicContact OE1-CZ 2.65Å; E653-R694 VanDerWaalsContact OE1-CZ 3.24Å; E653-R694 IonicContact OE1-NE 2.76Å; E653-R694 PolarHBondContact OE1-NE 3.07Å; E653-R694 IonicContact OE1-NH2 3.6Å; E653-R694 PolarHBondContact OE1-NH2 2.88Å; E653-R694 IonicContact OE2-NE 2.82Å; E653-L696 HydrophobicContact CG-CD1 3.91Å |
| 654 | N | 96.2 | Very high | 94.6 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 43% | 0.428 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.5 | -74.4 | -30 | 0 | 0 | 0 | 112.5 | D650 K651 V656 L657 H658 | D650-N654 WeakPolarHBondContact O-CB 3.24Å; D650-N654 VanDerWaalsContact O-CG 3.24Å; D650-N654 PolarHBondContact O-N 3.14Å; D650-N654 PolarHBondContact O-ND2 3.47Å; D650-N654 VanDerWaalsContact O-ND2 3.17Å; K651-N654 PolarHBondContact O-N 3.44Å; N654-V656 VanDerWaalsContact C-N 3.27Å; N654-V656 PolarHBondContact O-N 3.24Å; N654-L657 PolarHBondContact O-N 3.06Å; N654-H658 WeakPolarHBondContact O-CB 3.43Å; N654-H658 PolarHBondContact O-N 3.08Å |
| 655 | A | 94.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V620 K651 A652 D659 S660 V661 L664 | V620-A655 HydrophobicContact CG1-CB 4.27Å; K651-A655 VanDerWaalsContact O-CB 3.31Å; K651-A655 WeakPolarHBondContact O-CB 3.09Å; K651-A655 PolarHBondContact O-N 3.09Å; A652-A655 PolarHBondContact O-N 3.43Å; A655-D659 WeakPolarHBondContact O-CB 3.39Å; A655-D659 PolarHBondContact O-N 3.29Å; A655-S660 PolarHBondContact O-N 3.21Å; A655-V661 HydrophobicContact CB-CG2 4.08Å; A655-V661 WeakPolarHBondContact O-CG2 3.36Å; A655-L664 HydrophobicContact CB-CD2 4.21Å |
| 656 | V | 93.7 | Very high | 94.9 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.3 | -39.9 | 178 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | A652 E653 N654 L664 L691 L696 R699 V700 | A652-V656 WeakPolarHBondContact O-CG2 3.22Å; A652-V656 PolarHBondContact O-N 3.29Å; A652-V656 VanDerWaalsContact O-N 3.12Å; E653-V656 PolarHBondContact O-N 3.24Å; N654-V656 VanDerWaalsContact C-N 3.27Å; N654-V656 PolarHBondContact O-N 3.24Å; V656-L664 HydrophobicContact CG2-CD1 4.29Å; V656-L691 HydrophobicContact CG2-CD2 4.29Å; V656-L696 HydrophobicContact CG1-CB 4.27Å; V656-L696 HydrophobicContact CG1-CD2 4.47Å; V656-R699 HydrophobicContact CG1-CB 4.01Å; V656-V700 HydrophobicContact CG2-CB 3.99Å; V656-V700 HydrophobicContact CG2-CG1 3.86Å; V656-V700 HydrophobicContact CG2-CG2 4.14Å |
| 657 | L | 92.2 | Very high | 94.9 | Very high | 74 Ų | 74 | 37.7 Ų | 37.7 | 39% | 0.387 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -79.1 | -37.6 | -176.2 | -73.3 | 173.9 | 0 | 0 | 0 | 113.9 | E653 N654 L696 | E653-L657 HydrophobicContact CG-CD1 3.84Å; E653-L657 WeakPolarHBondContact O-CB 3.43Å; E653-L657 WeakPolarHBondContact O-CG 3.5Å; E653-L657 PolarHBondContact O-N 2.94Å; N654-L657 PolarHBondContact O-N 3.06Å; L657-L696 HydrophobicContact CD1-CD1 4.24Å; L657-L696 HydrophobicContact CD2-CD1 4.02Å; L657-L696 HydrophobicContact CD2-CD2 3.78Å; L657-L696 HydrophobicContact CG-CD1 3.94Å |
| 658 | H | 91.9 | Very high | 94.9 | Very high | 136 Ų | 136 | 34.5 Ų | 34.5 | 63% | 0.63 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -114.1 | -36.1 | -167 | -58.6 | -57.3 | 0 | 0 | 0 | 113.2 | N654 | N654-H658 WeakPolarHBondContact O-CB 3.43Å; N654-H658 PolarHBondContact O-N 3.08Å |
| 659 | D | 85.2 | Confident | 94.7 | Very high | 75 Ų | 75 | 36.6 Ų | 36.6 | 40% | 0.401 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -93.3 | -3.1 | -174.6 | -63.9 | -36.6 | 0 | 0 | 0 | 114 | R618 A655 V661 | R618-D659 PolarHBondContact NH1-O 2.78Å; A655-D659 WeakPolarHBondContact O-CB 3.39Å; A655-D659 PolarHBondContact O-N 3.29Å; D659-V661 HydrophobicContact CB-CG2 3.75Å |
| 660 | S | 84.1 | Confident | 94.4 | Very high | 91 Ų | 91 | 38.7 Ų | 38.7 | 64% | 0.636 | 21% | 0.207 | S | C | * | . | trans | 51.7 | 53.1 | -177.8 | -58.1 | 0 | 0 | 0 | 0 | 112.7 | A655 | A655-S660 PolarHBondContact O-N 3.21Š| ||
| 661 | V | 94.1 | Very high | 94.2 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 3% | 0.03 | 20% | 0.195 | C | C | . | . | trans | -88.8 | 135 | -177.6 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | R618 V620 A655 D659 L663 L664 V700 | R618-V661 WeakPolarHBondContact O-CG1 3.21Å; V620-V661 HydrophobicContact CB-CG1 3.95Å; V620-V661 HydrophobicContact CB-CG2 4.2Å; V620-V661 HydrophobicContact CG1-CG1 4.27Å; A655-V661 HydrophobicContact CB-CG2 4.08Å; A655-V661 WeakPolarHBondContact O-CG2 3.36Å; D659-V661 HydrophobicContact CB-CG2 3.75Å; V661-L663 WeakPolarHBondContact CG1-O 3.44Å; V661-L664 HydrophobicContact CG1-CD2 4.17Å; V661-V700 WeakPolarHBondContact O-CG2 3.26Å | ||
| 662 | D | 94.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 32.1 Ų | 32.1 | 19% | 0.187 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -97.2 | -26.3 | 179.8 | -53.4 | -76 | 0 | 0 | 0 | 112.8 | P564 W617 R618 V700 G701 | P564-D662 HydrophobicContact CG-CB 3.9Å; P564-D662 WeakPolarHBondContact CG-OD1 3.47Å; W617-D662 VanDerWaalsContact CA-OD2 3.22Å; W617-D662 WeakPolarHBondContact CA-OD2 3.34Å; W617-D662 HydrophobicContact CB-CB 3.94Å; W617-D662 VanDerWaalsContact CD1-CG 3.49Å; W617-D662 HydrophobicContact CD2-CB 3.87Å; W617-D662 HydrophobicContact CE3-CB 4.39Å; W617-D662 HydrophobicContact CG-CB 3.66Å; R618-D662 PolarHBondContact N-OD2 3Å; R618-D662 PolarHBondContact O-N 3.4Å; D662-V700 CarbonylContact O-C 3.49Å; D662-V700 WeakPolarHBondContact O-CA 3.39Å; D662-V700 WeakPolarHBondContact O-CG2 3.37Å; D662-G701 PolarHBondContact O-N 2.92Å |
| 663 | L | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.5 | 178.3 | -63.5 | 175.4 | 0 | 0 | 0 | 112 | I562 L594 L597 W617 R618 S619 V620 V661 G701 I703 | I562-L663 HydrophobicContact CD1-CD2 4.27Å; L594-L663 HydrophobicContact CD2-CD1 4.14Å; L597-L663 HydrophobicContact CD1-CD1 3.95Å; W617-L663 HydrophobicContact CE3-CD1 4.02Å; W617-L663 HydrophobicContact CE3-CD2 4.38Å; W617-L663 HydrophobicContact CE3-CG 4.08Å; W617-L663 HydrophobicContact CZ3-CD1 4.44Å; W617-L663 HydrophobicContact CZ3-CD2 4.2Å; W617-L663 HydrophobicContact CZ3-CG 4.4Å; R618-L663 PolarHBondContact O-N 2.78Å; S619-L663 CarbonylContact C-O 3.55Å; S619-L663 VanDerWaalsContact CA-O 3.27Å; S619-L663 WeakPolarHBondContact CA-O 3.47Å; V620-L663 PolarHBondContact N-O 2.92Å; V661-L663 WeakPolarHBondContact CG1-O 3.44Å; L663-G701 CarbonylContact C-O 3.54Å; L663-G701 WeakPolarHBondContact CA-O 3.42Å; L663-I703 HydrophobicContact CD1-CD1 4.24Å; L663-I703 HydrophobicContact CD2-CD1 4.42Å |
| 664 | L | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.3 | 167.7 | -61.9 | 176.1 | 0 | 0 | 0 | 109.1 | V620 L622 A652 A655 V656 V661 V687 L691 V700 G701 I702 I703 | V620-L664 HydrophobicContact CG1-CD2 3.61Å; L622-L664 HydrophobicContact CD1-CB 4.42Å; L622-L664 HydrophobicContact CD1-CD1 4.4Å; L622-L664 HydrophobicContact CD1-CD2 4.14Å; A652-L664 HydrophobicContact CB-CD1 3.96Å; A655-L664 HydrophobicContact CB-CD2 4.21Å; V656-L664 HydrophobicContact CG2-CD1 4.29Å; V661-L664 HydrophobicContact CG1-CD2 4.17Å; L664-V687 HydrophobicContact CD1-CG1 4.14Å; L664-L691 HydrophobicContact CD1-CD1 4Å; L664-V700 HydrophobicContact CD1-CG1 4.19Å; L664-V700 HydrophobicContact CD1-CG2 4.27Å; L664-V700 HydrophobicContact CD2-CG2 4.47Å; L664-V700 HydrophobicContact CG-CG2 3.73Å; L664-G701 PolarHBondContact N-O 2.89Å; L664-I702 CarbonylContact O-C 3.49Å; L664-I702 WeakPolarHBondContact O-CA 3.46Å; L664-I703 PolarHBondContact O-N 2.93Å |
| 665 | I | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 103.9 | 174.1 | -59.3 | 167.5 | 0 | 0 | 0 | 107.4 | M591 R595 V620 I621 L622 I703 E705 | M591-I665 HydrophobicContact CE-CB 4.37Å; M591-I665 HydrophobicContact CE-CD1 3.51Å; M591-I665 HydrophobicContact CE-CG1 3.83Å; M591-I665 HydrophobicContact CE-CG2 3.6Å; R595-I665 HydrophobicContact CB-CD1 4.46Å; R595-I665 HydrophobicContact CG-CD1 3.8Å; V620-I665 PolarHBondContact O-N 3.42Å; I621-I665 CarbonylContact C-O 3.44Å; I621-I665 WeakPolarHBondContact CA-O 3.31Å; I621-I665 HydrophobicContact CG1-CB 4.22Å; I621-I665 HydrophobicContact CG1-CD1 4.29Å; I621-I665 HydrophobicContact CG1-CG2 4.45Å; L622-I665 PolarHBondContact N-O 3.19Å; I665-I703 CarbonylContact C-O 3.49Å; I665-I703 WeakPolarHBondContact CA-O 3.1Å; I665-I703 HydrophobicContact CG1-CB 4.33Å; I665-I703 HydrophobicContact CG1-CD1 4.46Å; I665-E705 HydrophobicContact CG2-CB 4.24Å |
| 666 | I | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 114.8 | 177.1 | -57.9 | -177.1 | 0 | 0 | 0 | 107 | L622 T624 I680 A683 V684 V687 I702 I703 E705 | L622-I666 HydrophobicContact CD1-CG1 4.5Å; T624-I666 HydrophobicContact CG2-CG2 3.3Å; I666-I680 HydrophobicContact CG2-CD1 3.81Å; I666-A683 HydrophobicContact CG2-CB 3.97Å; I666-V684 HydrophobicContact CB-CG2 4.38Å; I666-V684 HydrophobicContact CD1-CG2 4.05Å; I666-V684 HydrophobicContact CG2-CG2 4.27Å; I666-V687 HydrophobicContact CD1-CB 3.98Å; I666-V687 HydrophobicContact CD1-CG1 4.16Å; I666-V687 HydrophobicContact CD1-CG2 4.04Å; I666-I702 HydrophobicContact CD1-CG2 3.69Å; I666-I702 HydrophobicContact CG1-CG2 4.21Å; I666-I703 PolarHBondContact N-O 3.37Å; I666-E705 PolarHBondContact O-N 2.92Å |
| 667 | S | 97.5 | Very high | 92.4 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.5 | -166.5 | -174.2 | 0 | 0 | 0 | 0 | 113.5 | L622 T624 R669 E705 | L622-S667 PolarHBondContact O-N 3.4Å; T624-S667 PolarHBondContact N-O 3.12Å; T624-S667 VanDerWaalsContact OG1-C 3.3Å; T624-S667 PolarHBondContact OG1-O 3.41Å; T624-S667 VanDerWaalsContact OG1-O 3.08Å; S667-R669 WeakPolarHBondContact OG-CB 3.22Å; S667-R669 PolarHBondContact OG-N 3.14Å; S667-E705 WeakPolarHBondContact CA-O 3.3Å; S667-E705 WeakPolarHBondContact CB-OE2 3.33Å; S667-E705 PolarHBondContact OG-OE2 2.89Å |
| 668 | D | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -96.5 | 4.9 | 171.8 | 64.6 | 27.3 | 0 | 0 | 0 | 113.1 | F490 A670 S671 P677 E705 T706 G707 Y729 | F490-D668 HydrophobicContact CE1-CB 4.31Å; F490-D668 WeakPolarHBondContact CE1-OD2 3.47Å; F490-D668 HydrophobicContact CZ-CB 4.3Å; D668-A670 PolarHBondContact O-N 3.02Å; D668-S671 WeakPolarHBondContact O-CB 3.38Å; D668-S671 PolarHBondContact O-N 2.88Å; D668-S671 PolarHBondContact O-OG 3.49Å; D668-P677 HydrophobicContact CB-CB 4.39Å; D668-E705 PolarHBondContact N-O 3.49Å; D668-T706 VanDerWaalsContact OD1-CA 3.28Å; D668-T706 WeakPolarHBondContact OD1-CA 3.39Å; D668-T706 WeakPolarHBondContact OD2-CA 3.5Å; D668-T706 VanDerWaalsContact OD2-CB 3.29Å; D668-T706 WeakPolarHBondContact OD2-CB 3.38Å; D668-T706 PolarHBondContact OD2-OG1 3.38Å; D668-G707 PolarHBondContact OD1-N 2.91Å; D668-G707 PolarHBondContact OD2-N 2.98Å; D668-Y729 WeakPolarHBondContact OD1-CE1 3.33Å | ||
| 669 | R | 92.7 | Very high | 92.8 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 18% | 0.181 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.5 | -173.9 | -177.5 | 178.6 | -92.7 | -78.5 | 4.2 | 113.9 | I474 S667 S671 E705 Y729 E733 | I474-R669 VanDerWaalsContact CG2-CZ 3.48Å; I474-R669 PolarHBondContact O-NH1 3.1Å; S667-R669 WeakPolarHBondContact OG-CB 3.22Å; S667-R669 PolarHBondContact OG-N 3.14Å; R669-S671 PolarHBondContact O-N 3.37Å; R669-E705 WeakPolarHBondContact CD-OE1 3.39Å; R669-E705 IonicContact CZ-OE1 2.72Å; R669-E705 IonicContact NE-OE1 3.16Å; R669-E705 PolarHBondContact NE-OE1 2.86Å; R669-Y729 HydrophobicContact CB-CE1 3.99Å; R669-Y729 HydrophobicContact CG-CE1 4.36Å; R669-Y729 VanDerWaalsContact NH2-CD2 3.31Å; R669-Y729 VanDerWaalsContact NH2-CG 3.31Å; R669-E733 IonicContact CZ-OE1 3.92Å; R669-E733 IonicContact NH1-OE1 2.97Å; R669-E733 PolarHBondContact NH1-OE1 3.39Å; R669-E733 IonicContact NH2-OE1 2.86Å; R669-E733 PolarHBondContact NH2-OE1 2.93Å |
| 670 | A | 92.6 | Very high | 93.4 | Very high | 45 Ų | 45 | 29.1 Ų | 29.1 | 37% | 0.372 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 2.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T625 D668 S672 R675 | T625-A670 HydrophobicContact CG2-CB 4.16Å; D668-A670 PolarHBondContact O-N 3.02Å; A670-S672 PolarHBondContact O-N 3.27Å; A670-R675 WeakPolarHBondContact O-CD 3.3Å |
| 671 | S | 91.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 24.8 Ų | 24.8 | 8% | 0.084 | 12% | 0.124 | C | C | . | . | trans | -55.5 | 130.3 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | D668 R669 P677 | D668-S671 WeakPolarHBondContact O-CB 3.38Å; D668-S671 PolarHBondContact O-N 2.88Å; D668-S671 PolarHBondContact O-OG 3.49Å; R669-S671 PolarHBondContact O-N 3.37Å; S671-P677 WeakPolarHBondContact OG-CB 3.44Å | ||
| 672 | S | 89.2 | Confident | 94.3 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 27% | 0.266 | 12% | 0.122 | S | C | . | . | B | Isolated β-bridge | trans | -155.3 | -176.5 | -175.8 | 77.3 | 0 | 0 | 0 | 0 | 111 | A670 D674 R675 H825 | A670-S672 PolarHBondContact O-N 3.27Å; S672-D674 PolarHBondContact O-N 3.44Å; S672-D674 PolarHBondContact OG-N 3.33Å; S672-R675 PolarHBondContact N-O 3.13Å; S672-R675 PolarHBondContact O-N 2.88Å; S672-R675 PolarHBondContact OG-N 3.49Å; S672-H825 PolarHBondContact O-NE2 3.21Å |
| 673 | R | 84.9 | Confident | 94.4 | Very high | 132 Ų | 132 | 22.9 Ų | 22.9 | 50% | 0.498 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -37.3 | 173.5 | -175.8 | 176.7 | -170.1 | -179.1 | 2.2 | 112.8 | H825 Y829 | R673-H825 PolarHBondContact O-CE1 2.59Å; R673-H825 PolarHBondContact O-NE2 2.91Å; R673-Y829 HydrophobicContact CB-CD1 3.94Å; R673-Y829 HydrophobicContact CB-CE1 4.27Å; R673-Y829 HydrophobicContact CB-CG 4.23Å; R673-Y829 HydrophobicContact CG-CD1 4.22Å; R673-Y829 HydrophobicContact CG-CG 4.34Å |
| 674 | D | 88.8 | Confident | 94.5 | Very high | 86 Ų | 86 | 22.9 Ų | 22.9 | 46% | 0.46 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.5 | -175.6 | -54.2 | -55.2 | 0 | 0 | 0 | 113 | V628 S672 | V628-D674 WeakPolarHBondContact CG2-O 3.45Å; V628-D674 PolarHBondContact N-O 3.47Å; S672-D674 PolarHBondContact O-N 3.44Å; S672-D674 PolarHBondContact OG-N 3.33Å |
| 675 | R | 90.3 | Very high | 94.4 | Very high | 85 Ų | 85 | 22.9 Ų | 22.9 | 32% | 0.321 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 114.3 | -173.7 | -59.5 | -171.9 | 75.6 | 89.6 | 1.6 | 111.7 | D623 T625 L626 A670 S672 | D623-R675 IonicContact OD2-CZ 3.66Å; D623-R675 IonicContact OD2-NE 2.7Å; D623-R675 IonicContact OD2-NH2 2.64Å; D623-R675 PolarHBondContact OD2-NH2 3.03Å; T625-R675 PolarHBondContact O-NH2 3.41Å; T625-R675 PolarHBondContact OG1-NE 2.64Å; T625-R675 PolarHBondContact OG1-NH2 3.23Å; T625-R675 VanDerWaalsContact OG1-NH2 3.11Å; L626-R675 CarbonylContact O-C 3.54Å; L626-R675 WeakPolarHBondContact O-CA 3.18Å; A670-R675 WeakPolarHBondContact O-CD 3.3Å; S672-R675 PolarHBondContact N-O 3.13Å; S672-R675 PolarHBondContact O-N 2.88Å; S672-R675 PolarHBondContact OG-N 3.49Å |
| 676 | L | 90.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 8% | 0.084 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.8 | 178.5 | -172.3 | 75.3 | 0 | 0 | 0 | 110.5 | T625 L626 V628 V678 V821 H825 | T625-L676 CarbonylContact C-O 2.97Å; T625-L676 VanDerWaalsContact CA-O 3.28Å; T625-L676 WeakPolarHBondContact CA-O 3.49Å; L626-L676 HydrophobicContact CB-CB 4.23Å; L626-L676 PolarHBondContact N-O 3.03Å; L626-L676 PolarHBondContact O-N 2.89Å; V628-L676 HydrophobicContact CG2-CB 4.27Å; L676-V678 PolarHBondContact O-N 2.83Å; L676-V821 HydrophobicContact CD1-CG1 3.72Å; L676-V821 HydrophobicContact CD2-CG1 4.08Å; L676-V821 HydrophobicContact CG-CG1 3.74Å; L676-H825 HydrophobicContact CD1-CB 3.29Å |
| 677 | P | 93.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 22.9 Ų | 22.9 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 131.7 | 172.9 | 21.9 | -28.5 | 0 | 0 | 0 | 111.5 | L489 F490 D668 S671 V821 | L489-P677 HydrophobicContact CD1-CG 3.93Å; L489-P677 HydrophobicContact CD2-CG 4.04Å; L489-P677 HydrophobicContact CG-CG 4.01Å; F490-P677 HydrophobicContact CE1-CB 4.04Å; F490-P677 HydrophobicContact CE1-CG 4.25Å; F490-P677 HydrophobicContact CZ-CB 4.34Å; D668-P677 HydrophobicContact CB-CB 4.39Å; S671-P677 WeakPolarHBondContact OG-CB 3.44Å; P677-V821 WeakPolarHBondContact O-CG1 3.43Å |
| 678 | V | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 133.6 | 161.5 | 172.8 | 0 | 0 | 0 | 0 | 108.2 | T624 L626 L641 F644 L645 L676 I680 A683 | T624-V678 WeakPolarHBondContact O-CB 3.41Å; T624-V678 PolarHBondContact O-N 3.5Å; L626-V678 HydrophobicContact CD1-CG2 3.57Å; L626-V678 HydrophobicContact CG-CG2 3.98Å; L641-V678 HydrophobicContact CD1-CB 4.47Å; L641-V678 HydrophobicContact CD1-CG1 3.88Å; L641-V678 HydrophobicContact CD1-CG2 3.94Å; F644-V678 HydrophobicContact CD1-CG2 3.67Å; F644-V678 HydrophobicContact CE1-CB 4.36Å; F644-V678 HydrophobicContact CE1-CG2 3.59Å; F644-V678 HydrophobicContact CG-CG2 4.5Å; F644-V678 HydrophobicContact CZ-CG2 4.36Å; L645-V678 HydrophobicContact CD2-CG1 4.02Å; L676-V678 PolarHBondContact O-N 2.83Å; V678-I680 PolarHBondContact O-N 3.22Å; V678-I680 VanDerWaalsContact O-N 3.12Å; V678-A683 HydrophobicContact CG1-CB 4.29Å |
| 679 | P | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -50.8 | 122.7 | 176.7 | -27.9 | 34.3 | 0 | 0 | 0 | 110.7 | V531 L681 L682 A683 V821 | V531-P679 HydrophobicContact CG2-CB 3.67Å; V531-P679 HydrophobicContact CG2-CG 3.99Å; P679-L681 PolarHBondContact O-N 3.47Å; P679-L681 VanDerWaalsContact O-N 3.14Å; P679-L682 HydrophobicContact CB-CD1 3.97Å; P679-L682 HydrophobicContact CB-CG 4.16Å; P679-L682 HydrophobicContact CG-CD1 3.91Å; P679-L682 WeakPolarHBondContact O-CB 3.45Å; P679-L682 PolarHBondContact O-N 3.4Å; P679-A683 PolarHBondContact O-N 3.49Å; P679-V821 HydrophobicContact CG-CG2 3.48Å; P679-V821 VanDerWaalsContact CG-CG2 3.48Å |
| 680 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.8 | -33.9 | -168.3 | -169.8 | 72.8 | 0 | 0 | 0 | 112 | F532 I666 V678 L682 A683 V684 A704 T706 E708 L718 | F532-I680 HydrophobicContact CZ-CG2 3.85Å; I666-I680 HydrophobicContact CG2-CD1 3.81Å; V678-I680 PolarHBondContact O-N 3.22Å; V678-I680 VanDerWaalsContact O-N 3.12Å; I680-L682 VanDerWaalsContact C-N 3.35Å; I680-L682 PolarHBondContact O-N 2.94Å; I680-A683 PolarHBondContact O-N 2.91Å; I680-V684 HydrophobicContact CD1-CG2 4.47Å; I680-V684 HydrophobicContact CG1-CG2 4.17Å; I680-V684 WeakPolarHBondContact O-CB 3.27Å; I680-V684 WeakPolarHBondContact O-CG2 3.18Å; I680-V684 PolarHBondContact O-N 3.47Å; I680-A704 HydrophobicContact CG1-CB 4.22Å; I680-T706 HydrophobicContact CG1-CG2 4.44Å; I680-T706 HydrophobicContact CG2-CG2 4.21Å; I680-T706 WeakPolarHBondContact CG2-OG1 3.3Å; I680-E708 HydrophobicContact CG2-CB 4.25Å; I680-E708 PolarHBondContact N-OE2 3.34Å; I680-L718 HydrophobicContact CG1-CD2 4.38Å; I680-L718 HydrophobicContact CG2-CD1 4.35Å; I680-L718 HydrophobicContact CG2-CD2 4.17Å |
| 681 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.5 | -175.1 | 59.2 | 0 | 0 | 0 | 112.3 | V531 F532 F535 P679 G685 L718 F721 F802 | V531-L681 HydrophobicContact CG1-CD2 4.17Å; F532-L681 HydrophobicContact CD1-CB 4.27Å; F532-L681 HydrophobicContact CD1-CD2 3.65Å; F532-L681 HydrophobicContact CD1-CG 4.43Å; F532-L681 HydrophobicContact CE1-CB 3.7Å; F532-L681 HydrophobicContact CE1-CD1 4.32Å; F532-L681 HydrophobicContact CE1-CD2 3.88Å; F532-L681 HydrophobicContact CE1-CG 4.17Å; F532-L681 HydrophobicContact CZ-CB 4.1Å; F535-L681 HydrophobicContact CD2-CD2 3.86Å; F535-L681 HydrophobicContact CE2-CD2 3.67Å; P679-L681 PolarHBondContact O-N 3.47Å; P679-L681 VanDerWaalsContact O-N 3.14Å; L681-G685 PolarHBondContact O-N 2.75Å; L681-L718 HydrophobicContact CD1-CD2 4.09Å; L681-L718 HydrophobicContact CD1-CG 4.43Å; L681-F721 HydrophobicContact CD1-CB 4.18Å; L681-F721 HydrophobicContact CD1-CD2 3.9Å; L681-F721 HydrophobicContact CD1-CG 4.41Å; L681-F802 HydrophobicContact CD1-CE1 4.16Å; L681-F802 HydrophobicContact CD2-CE1 4.44Å; L681-F802 HydrophobicContact CD2-CZ 4.3Å; L681-F802 HydrophobicContact CG-CE1 3.81Å; L681-F802 HydrophobicContact CG-CZ 3.84Å; L681-F802 WeakPolarHBondContact O-CE1 3.46Å |
| 682 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -44.2 | 176.1 | -67 | 174.3 | 0 | 0 | 0 | 110.8 | V531 L641 L645 P679 I680 A686 V797 C801 F802 L817 | V531-L682 HydrophobicContact CG1-CD2 4.09Å; V531-L682 HydrophobicContact CG1-CG 4.22Å; V531-L682 HydrophobicContact CG2-CD1 4.15Å; V531-L682 HydrophobicContact CG2-CG 4.19Å; L641-L682 HydrophobicContact CD2-CD1 4.43Å; L645-L682 HydrophobicContact CD1-CB 4.44Å; L645-L682 HydrophobicContact CD2-CB 4.44Å; P679-L682 HydrophobicContact CB-CD1 3.97Å; P679-L682 HydrophobicContact CB-CG 4.16Å; P679-L682 HydrophobicContact CG-CD1 3.91Å; P679-L682 WeakPolarHBondContact O-CB 3.45Å; P679-L682 PolarHBondContact O-N 3.4Å; I680-L682 VanDerWaalsContact C-N 3.35Å; I680-L682 PolarHBondContact O-N 2.94Å; L682-A686 VanDerWaalsContact O-CB 3.24Å; L682-A686 WeakPolarHBondContact O-CB 3.21Å; L682-A686 PolarHBondContact O-N 2.76Å; L682-V797 HydrophobicContact CD2-CG1 3.81Å; L682-C801 HydrophobicContact CD2-CB 4.23Å; L682-F802 HydrophobicContact CD2-CE2 3.59Å; L682-F802 HydrophobicContact CD2-CZ 3.73Å; L682-L817 HydrophobicContact CD1-CD1 4.12Å; L682-L817 HydrophobicContact CD2-CD1 4.38Å |
| 683 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.7 | -49.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | T624 L645 L648 I666 V678 P679 I680 A686 V687 | T624-A683 HydrophobicContact CG2-CB 3.67Å; L645-A683 HydrophobicContact CD2-CB 4.46Å; L648-A683 HydrophobicContact CD2-CB 3.75Å; I666-A683 HydrophobicContact CG2-CB 3.97Å; V678-A683 HydrophobicContact CG1-CB 4.29Å; P679-A683 PolarHBondContact O-N 3.49Å; I680-A683 PolarHBondContact O-N 2.91Å; A683-A686 PolarHBondContact O-N 3.45Å; A683-V687 WeakPolarHBondContact O-CG2 3.45Å; A683-V687 PolarHBondContact O-N 3.18Å; A683-V687 VanDerWaalsContact O-N 3.1Å |
| 684 | V | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -48 | 176.8 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | I666 I680 V687 H688 I702 A704 L718 A723 | I666-V684 HydrophobicContact CB-CG2 4.38Å; I666-V684 HydrophobicContact CD1-CG2 4.05Å; I666-V684 HydrophobicContact CG2-CG2 4.27Å; I680-V684 HydrophobicContact CD1-CG2 4.47Å; I680-V684 HydrophobicContact CG1-CG2 4.17Å; I680-V684 WeakPolarHBondContact O-CB 3.27Å; I680-V684 WeakPolarHBondContact O-CG2 3.18Å; I680-V684 PolarHBondContact O-N 3.47Å; V684-V687 PolarHBondContact O-N 3.14Å; V684-H688 WeakPolarHBondContact O-CB 3.37Å; V684-H688 PolarHBondContact O-N 2.78Å; V684-I702 HydrophobicContact CG1-CG2 4.49Å; V684-A704 HydrophobicContact CG2-CB 4.06Å; V684-L718 HydrophobicContact CB-CD2 4.2Å; V684-L718 HydrophobicContact CG1-CD2 4.46Å; V684-L718 HydrophobicContact CG2-CD2 3.99Å; V684-A723 HydrophobicContact CG1-CB 4.11Å |
| 685 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L681 V687 H688 Q689 C801 | L681-G685 PolarHBondContact O-N 2.75Å; G685-V687 PolarHBondContact O-N 2.64Å; G685-H688 PolarHBondContact O-N 3.5Å; G685-Q689 WeakPolarHBondContact O-CB 3.38Å; G685-Q689 VanDerWaalsContact O-CG 3.27Å; G685-Q689 WeakPolarHBondContact O-CG 3.21Å; G685-Q689 PolarHBondContact O-N 2.98Å; G685-C801 CarbonylContact C-O 3.36Å; G685-C801 WeakPolarHBondContact CA-O 3.29Å; G685-C801 VanDerWaalsContact O-O 3.09Å |
| 686 | A | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L645 C649 L682 A683 Q689 R690 M800 | L645-A686 HydrophobicContact CB-CB 4.49Å; L645-A686 HydrophobicContact CD2-CB 4.21Å; C649-A686 PolarHBondContact SG-O 3.49Å; C649-A686 VanDerWaalsContact SG-O 3.34Å; L682-A686 VanDerWaalsContact O-CB 3.24Å; L682-A686 WeakPolarHBondContact O-CB 3.21Å; L682-A686 PolarHBondContact O-N 2.76Å; A683-A686 PolarHBondContact O-N 3.45Å; A686-Q689 PolarHBondContact O-N 3.24Å; A686-R690 WeakPolarHBondContact O-CB 3.31Å; A686-R690 PolarHBondContact O-N 2.89Å; A686-M800 HydrophobicContact CB-CE 4.38Å |
| 687 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.9 | 172 | 0 | 0 | 0 | 0 | 110.5 | L648 A652 L664 I666 A683 V684 G685 Q689 R690 L691 I702 | L648-V687 HydrophobicContact CD2-CG2 3.95Å; L648-V687 HydrophobicContact CG-CG2 3.88Å; A652-V687 HydrophobicContact CB-CG1 3.68Å; A652-V687 HydrophobicContact CB-CG2 4.17Å; L664-V687 HydrophobicContact CD1-CG1 4.14Å; I666-V687 HydrophobicContact CD1-CB 3.98Å; I666-V687 HydrophobicContact CD1-CG1 4.16Å; I666-V687 HydrophobicContact CD1-CG2 4.04Å; A683-V687 WeakPolarHBondContact O-CG2 3.45Å; A683-V687 PolarHBondContact O-N 3.18Å; A683-V687 VanDerWaalsContact O-N 3.1Å; V684-V687 PolarHBondContact O-N 3.14Å; G685-V687 PolarHBondContact O-N 2.64Å; V687-Q689 PolarHBondContact O-N 2.91Å; V687-R690 PolarHBondContact O-N 3.49Å; V687-L691 HydrophobicContact CG1-CD1 3.79Å; V687-L691 HydrophobicContact CG1-CG 4.33Å; V687-L691 WeakPolarHBondContact O-CB 3.41Å; V687-L691 VanDerWaalsContact O-CG 3.25Å; V687-L691 WeakPolarHBondContact O-CG 3.33Å; V687-L691 PolarHBondContact O-N 3.1Å; V687-I702 HydrophobicContact CG1-CD1 4.27Å |
| 688 | H | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 178.4 | 169.7 | 62.3 | 0 | 0 | 0 | 111.9 | V684 G685 R690 L691 V692 R697 I702 F721 S784 | V684-H688 WeakPolarHBondContact O-CB 3.37Å; V684-H688 PolarHBondContact O-N 2.78Å; G685-H688 PolarHBondContact O-N 3.5Å; H688-R690 PolarHBondContact O-N 2.9Å; H688-L691 PolarHBondContact O-N 3.48Å; H688-V692 VanDerWaalsContact CE1-CG2 3.48Å; H688-V692 WeakPolarHBondContact CE1-CG2 3.3Å; H688-V692 WeakPolarHBondContact O-CG2 3.32Å; H688-V692 PolarHBondContact O-N 2.71Å; H688-R697 WeakPolarHBondContact ND1-CD 3.39Å; H688-R697 PolarHBondContact ND1-NE 2.99Å; H688-I702 HydrophobicContact CB-CD1 4.2Å; H688-F721 WeakPolarHBondContact CB-O 3.5Å; H688-F721 PolarHBondContact CD2-O 3.25Å; H688-S784 PolarHBondContact CE1-OG 3.27Å; H688-S784 VanDerWaalsContact CE1-OG 3.23Å; H688-S784 PolarHBondContact NE2-OG 2.84Å |
| 689 | Q | 94.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.023 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.8 | -36.6 | -179.1 | -69.9 | -57.7 | -23.9 | 0 | 0 | 113.1 | G685 A686 V687 R693 C801 C803 | G685-Q689 WeakPolarHBondContact O-CB 3.38Å; G685-Q689 VanDerWaalsContact O-CG 3.27Å; G685-Q689 WeakPolarHBondContact O-CG 3.21Å; G685-Q689 PolarHBondContact O-N 2.98Å; A686-Q689 PolarHBondContact O-N 3.24Å; V687-Q689 PolarHBondContact O-N 2.91Å; Q689-R693 WeakPolarHBondContact O-CB 2.9Å; Q689-R693 WeakPolarHBondContact O-CG 3.33Å; Q689-R693 PolarHBondContact O-N 2.86Å; Q689-R693 VanDerWaalsContact O-N 3.12Å; Q689-R693 PolarHBondContact O-NE 2.83Å; Q689-R693 VanDerWaalsContact O-NE 3.17Å; Q689-C801 WeakPolarHBondContact CG-O 3.41Å; Q689-C803 HydrophobicContact CG-CB 4.31Å |
| 690 | R | 95 | Very high | 95.2 | Very high | 44 Ų | 44 | 23.2 Ų | 23.2 | 17% | 0.166 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -49.3 | 172.6 | 179.3 | 69.4 | 82.5 | 94.6 | 3.9 | 110.2 | C649 D650 E653 A686 V687 H688 V692 R693 R694 | C649-R690 HydrophobicContact CB-CB 4.04Å; C649-R690 HydrophobicContact CB-CG 3.97Å; D650-R690 IonicContact OD1-CZ 2.83Å; D650-R690 VanDerWaalsContact OD1-CZ 3.3Å; D650-R690 IonicContact OD1-NH1 3.53Å; D650-R690 PolarHBondContact OD1-NH1 3.04Å; D650-R690 IonicContact OD1-NH2 2.62Å; D650-R690 PolarHBondContact OD1-NH2 3.41Å; E653-R690 IonicContact OE2-NH1 2.78Å; E653-R690 PolarHBondContact OE2-NH1 3.49Å; A686-R690 WeakPolarHBondContact O-CB 3.31Å; A686-R690 PolarHBondContact O-N 2.89Å; V687-R690 PolarHBondContact O-N 3.49Å; H688-R690 PolarHBondContact O-N 2.9Å; R690-V692 VanDerWaalsContact C-N 3.34Å; R690-V692 PolarHBondContact O-N 3.34Å; R690-R693 PolarHBondContact O-N 3.49Å; R690-R694 HydrophobicContact CG-CG 4.42Å; R690-R694 VanDerWaalsContact O-CG 3.28Å; R690-R694 WeakPolarHBondContact O-CG 3.34Å; R690-R694 PolarHBondContact O-N 2.93Å |
| 691 | L | 95.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -178 | -67.2 | 175.2 | 0 | 0 | 0 | 112.8 | V656 L664 V687 H688 E695 L696 R697 V700 I702 | V656-L691 HydrophobicContact CG2-CD2 4.29Å; L664-L691 HydrophobicContact CD1-CD1 4Å; V687-L691 HydrophobicContact CG1-CD1 3.79Å; V687-L691 HydrophobicContact CG1-CG 4.33Å; V687-L691 WeakPolarHBondContact O-CB 3.41Å; V687-L691 VanDerWaalsContact O-CG 3.25Å; V687-L691 WeakPolarHBondContact O-CG 3.33Å; V687-L691 PolarHBondContact O-N 3.1Å; H688-L691 PolarHBondContact O-N 3.48Å; L691-E695 PolarHBondContact O-N 3.29Å; L691-L696 HydrophobicContact CD2-CB 3.85Å; L691-L696 HydrophobicContact CD2-CD1 4.33Å; L691-L696 PolarHBondContact O-N 3.07Å; L691-R697 HydrophobicContact CB-CB 3.92Å; L691-R697 PolarHBondContact O-N 3.22Å; L691-V700 HydrophobicContact CD1-CG1 3.93Å; L691-I702 HydrophobicContact CD1-CD1 4.22Å |
| 692 | V | 92.7 | Very high | 95.1 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.03 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.3 | -48.4 | 173.7 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | H688 R690 R694 E695 R697 | H688-V692 VanDerWaalsContact CE1-CG2 3.48Å; H688-V692 WeakPolarHBondContact CE1-CG2 3.3Å; H688-V692 WeakPolarHBondContact O-CG2 3.32Å; H688-V692 PolarHBondContact O-N 2.71Å; R690-V692 VanDerWaalsContact C-N 3.34Å; R690-V692 PolarHBondContact O-N 3.34Å; V692-R694 VanDerWaalsContact C-N 3.25Å; V692-R694 PolarHBondContact O-N 2.74Å; V692-E695 PolarHBondContact O-N 3.3Å; V692-R697 HydrophobicContact CG2-CB 3.79Å; V692-R697 HydrophobicContact CG2-CG 3.9Å |
| 693 | R | 90.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 23.2 Ų | 23.2 | 40% | 0.4 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -61.5 | -32.3 | 179.9 | -76.5 | -177.9 | -79.3 | -175.4 | -9.7 | 113.3 | Q689 R690 E695 M800 | Q689-R693 WeakPolarHBondContact O-CB 2.9Å; Q689-R693 WeakPolarHBondContact O-CG 3.33Å; Q689-R693 PolarHBondContact O-N 2.86Å; Q689-R693 VanDerWaalsContact O-N 3.12Å; Q689-R693 PolarHBondContact O-NE 2.83Å; Q689-R693 VanDerWaalsContact O-NE 3.17Å; R690-R693 PolarHBondContact O-N 3.49Å; R693-E695 VanDerWaalsContact C-N 3.33Å; R693-M800 PolarHBondContact NH2-O 3.35Å |
| 694 | R | 92.2 | Very high | 95.1 | Very high | 148 Ų | 148 | 23.2 Ų | 23.2 | 56% | 0.558 | 9% | 0.092 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 3.6 | 177.9 | -57.8 | -68.5 | -82.6 | -172.9 | -7.1 | 113.3 | E653 R690 V692 L696 | E653-R694 IonicContact OE1-CZ 2.65Å; E653-R694 VanDerWaalsContact OE1-CZ 3.24Å; E653-R694 IonicContact OE1-NE 2.76Å; E653-R694 PolarHBondContact OE1-NE 3.07Å; E653-R694 IonicContact OE1-NH2 3.6Å; E653-R694 PolarHBondContact OE1-NH2 2.88Å; E653-R694 IonicContact OE2-NE 2.82Å; R690-R694 HydrophobicContact CG-CG 4.42Å; R690-R694 VanDerWaalsContact O-CG 3.28Å; R690-R694 WeakPolarHBondContact O-CG 3.34Å; R690-R694 PolarHBondContact O-N 2.93Å; V692-R694 VanDerWaalsContact C-N 3.25Å; V692-R694 PolarHBondContact O-N 2.74Å; R694-L696 HydrophobicContact CB-CD1 4.05Å; R694-L696 HydrophobicContact CB-CG 4.11Å; R694-L696 PolarHBondContact O-N 3.25Å |
| 695 | E | 92.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 23.2 Ų | 23.2 | 26% | 0.257 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 34 | -177.6 | -50.8 | -176.6 | 164 | 0 | 0 | 113.4 | Q271 S272 L691 V692 R693 | Q271-E695 PolarHBondContact NE2-OE1 3.19Å; S272-E695 WeakPolarHBondContact CB-OE2 3.08Å; S272-E695 PolarHBondContact N-OE2 2.96Å; S272-E695 PolarHBondContact OG-O 3.07Å; L691-E695 PolarHBondContact O-N 3.29Å; V692-E695 PolarHBondContact O-N 3.3Å; R693-E695 VanDerWaalsContact C-N 3.33Å |
| 696 | L | 93.3 | Very high | 95.1 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | trans | -108.2 | -16.2 | -179.8 | -64.7 | 177.1 | 0 | 0 | 0 | 113.4 | E653 V656 L657 L691 R694 M698 R699 | E653-L696 HydrophobicContact CG-CD1 3.91Å; V656-L696 HydrophobicContact CG1-CB 4.27Å; V656-L696 HydrophobicContact CG1-CD2 4.47Å; L657-L696 HydrophobicContact CD1-CD1 4.24Å; L657-L696 HydrophobicContact CD2-CD1 4.02Å; L657-L696 HydrophobicContact CD2-CD2 3.78Å; L657-L696 HydrophobicContact CG-CD1 3.94Å; L691-L696 HydrophobicContact CD2-CB 3.85Å; L691-L696 HydrophobicContact CD2-CD1 4.33Å; L691-L696 PolarHBondContact O-N 3.07Å; R694-L696 HydrophobicContact CB-CD1 4.05Å; R694-L696 HydrophobicContact CB-CG 4.11Å; R694-L696 PolarHBondContact O-N 3.25Å; L696-M698 PolarHBondContact O-N 3.1Å; L696-M698 VanDerWaalsContact O-N 3.08Å; L696-R699 WeakPolarHBondContact O-CB 3.48Å; L696-R699 PolarHBondContact O-N 3.17Å | ||
| 697 | R | 94.1 | Very high | 95 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -56.8 | -31 | -173.5 | -179 | 60.3 | -172.6 | 88.9 | -6.6 | 113.8 | A269 H688 L691 V692 R699 V700 G722 D724 | A269-R697 HydrophobicContact CB-CB 4.3Å; H688-R697 WeakPolarHBondContact ND1-CD 3.39Å; H688-R697 PolarHBondContact ND1-NE 2.99Å; L691-R697 HydrophobicContact CB-CB 3.92Å; L691-R697 PolarHBondContact O-N 3.22Å; V692-R697 HydrophobicContact CG2-CB 3.79Å; V692-R697 HydrophobicContact CG2-CG 3.9Å; R697-R699 PolarHBondContact O-N 3.02Å; R697-V700 PolarHBondContact NH1-O 3.32Å; R697-V700 VanDerWaalsContact O-O 3.11Å; R697-G722 PolarHBondContact NH2-O 3.17Å; R697-D724 IonicContact CZ-OD2 2.62Å; R697-D724 IonicContact NH1-OD2 2.7Å; R697-D724 PolarHBondContact NH1-OD2 3.23Å; R697-D724 IonicContact NH2-OD1 3.68Å; R697-D724 IonicContact NH2-OD2 2.78Å; R697-D724 PolarHBondContact NH2-OD2 3.07Å |
| 698 | M | 92.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 23.7 Ų | 23.7 | 3% | 0.034 | 9% | 0.094 | C | C | . | . | G | 310 helix | trans | -75.7 | -7.3 | 178.4 | -65 | -62.6 | 96.3 | 0 | 0 | 113.6 | Y266 A269 R270 L273 P564 Q565 L696 | Y266-M698 HydrophobicContact CD1-CE 3.42Å; Y266-M698 VanDerWaalsContact CD1-CE 3.42Å; Y266-M698 HydrophobicContact CD1-SD 4.42Å; Y266-M698 HydrophobicContact CE1-CE 3.7Å; Y266-M698 HydrophobicContact CG-CE 4.24Å; A269-M698 HydrophobicContact CB-CE 4.35Å; A269-M698 HydrophobicContact CB-CG 3.84Å; R270-M698 HydrophobicContact CG-CG 3.76Å; R270-M698 HydrophobicContact CG-SD 4.05Å; L273-M698 HydrophobicContact CD1-CB 3.61Å; P564-M698 CarbonylContact C-O 3.54Å; P564-M698 WeakPolarHBondContact CA-O 3.16Å; Q565-M698 HydrophobicContact CB-CB 4.3Å; Q565-M698 VanDerWaalsContact CD-SD 3.5Å; Q565-M698 HydrophobicContact CG-SD 4.42Å; Q565-M698 PolarHBondContact N-O 3.48Å; Q565-M698 PolarHBondContact NE2-SD 2.9Å; Q565-M698 VanDerWaalsContact NE2-SD 3.42Å; Q565-M698 PolarHBondContact OE1-SD 3.46Å; L696-M698 PolarHBondContact O-N 3.1Å; L696-M698 VanDerWaalsContact O-N 3.08Å |
| 699 | R | 93 | Very high | 94.8 | Very high | 99 Ų | 99 | 23.7 Ų | 23.7 | 37% | 0.374 | 9% | 0.094 | S | C | . | . | G | 310 helix | trans | -92 | -5.2 | -179.3 | -60.7 | -172.9 | -178.8 | -161.3 | -0.3 | 114.1 | L273 P564 V656 L696 R697 | L273-R699 HydrophobicContact CD2-CG 4.18Å; P564-R699 WeakPolarHBondContact CB-O 3.29Å; P564-R699 VanDerWaalsContact CG-O 3.31Å; P564-R699 WeakPolarHBondContact CG-O 3.29Å; V656-R699 HydrophobicContact CG1-CB 4.01Å; L696-R699 WeakPolarHBondContact O-CB 3.48Å; L696-R699 PolarHBondContact O-N 3.17Å; R697-R699 PolarHBondContact O-N 3.02Å |
| 700 | V | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -151.6 | 151.2 | -169.6 | 73.7 | 0 | 0 | 0 | 0 | 110.8 | V656 V661 D662 L664 L691 R697 | V656-V700 HydrophobicContact CG2-CB 3.99Å; V656-V700 HydrophobicContact CG2-CG1 3.86Å; V656-V700 HydrophobicContact CG2-CG2 4.14Å; V661-V700 WeakPolarHBondContact O-CG2 3.26Å; D662-V700 CarbonylContact O-C 3.49Å; D662-V700 WeakPolarHBondContact O-CA 3.39Å; D662-V700 WeakPolarHBondContact O-CG2 3.37Å; L664-V700 HydrophobicContact CD1-CG1 4.19Å; L664-V700 HydrophobicContact CD1-CG2 4.27Å; L664-V700 HydrophobicContact CD2-CG2 4.47Å; L664-V700 HydrophobicContact CG-CG2 3.73Å; L691-V700 HydrophobicContact CD1-CG1 3.93Å; R697-V700 PolarHBondContact NH1-O 3.32Å; R697-V700 VanDerWaalsContact O-O 3.11Å | ||
| 701 | G | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 150.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112 | D662 L663 L664 D724 | D662-G701 PolarHBondContact O-N 2.92Å; L663-G701 CarbonylContact C-O 3.54Å; L663-G701 WeakPolarHBondContact CA-O 3.42Å; L664-G701 PolarHBondContact N-O 2.89Å; G701-D724 VanDerWaalsContact CA-OD2 3.25Å; G701-D724 WeakPolarHBondContact CA-OD2 3.25Å |
| 702 | I | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.4 | 179.6 | -58.9 | 178 | 0 | 0 | 0 | 110.1 | L664 I666 V684 V687 H688 L691 D724 | L664-I702 CarbonylContact O-C 3.49Å; L664-I702 WeakPolarHBondContact O-CA 3.46Å; I666-I702 HydrophobicContact CD1-CG2 3.69Å; I666-I702 HydrophobicContact CG1-CG2 4.21Å; V684-I702 HydrophobicContact CG1-CG2 4.49Å; V687-I702 HydrophobicContact CG1-CD1 4.27Å; H688-I702 HydrophobicContact CB-CD1 4.2Å; L691-I702 HydrophobicContact CD1-CD1 4.22Å; I702-D724 PolarHBondContact N-OD2 2.88Å; I702-D724 WeakPolarHBondContact O-CA 3.3Å; I702-D724 VanDerWaalsContact O-CB 3.26Å; I702-D724 WeakPolarHBondContact O-CB 3.27Å; I702-D724 PolarHBondContact O-N 3.38Å |
| 703 | I | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 131.7 | 176.4 | -59.2 | 172.7 | 0 | 0 | 0 | 108.7 | L586 M591 L594 L663 L664 I665 I666 A725 | L586-I703 HydrophobicContact CD1-CD1 4.47Å; L586-I703 HydrophobicContact CD1-CG2 3.83Å; M591-I703 HydrophobicContact CE-CG2 4.05Å; M591-I703 HydrophobicContact SD-CG2 3.78Å; L594-I703 HydrophobicContact CB-CD1 4.43Å; L594-I703 HydrophobicContact CD1-CD1 3.66Å; L663-I703 HydrophobicContact CD1-CD1 4.24Å; L663-I703 HydrophobicContact CD2-CD1 4.42Å; L664-I703 PolarHBondContact O-N 2.93Å; I665-I703 CarbonylContact C-O 3.49Å; I665-I703 WeakPolarHBondContact CA-O 3.1Å; I665-I703 HydrophobicContact CG1-CB 4.33Å; I665-I703 HydrophobicContact CG1-CD1 4.46Å; I666-I703 PolarHBondContact N-O 3.37Å; I703-A725 WeakPolarHBondContact CA-O 3.29Å; I703-A725 HydrophobicContact CG1-CB 4.33Å |
| 704 | A | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 115 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | I680 V684 L718 A725 I726 C727 | I680-A704 HydrophobicContact CG1-CB 4.22Å; V684-A704 HydrophobicContact CG2-CB 4.06Å; A704-L718 HydrophobicContact CB-CD1 4.48Å; A704-L718 HydrophobicContact CB-CD2 4.42Å; A704-A725 PolarHBondContact N-O 2.86Å; A704-I726 HydrophobicContact CB-CG1 4.41Å; A704-I726 CarbonylContact O-C 3.42Å; A704-I726 VanDerWaalsContact O-CA 3.3Å; A704-I726 WeakPolarHBondContact O-CA 3.41Å; A704-C727 PolarHBondContact O-N 2.82Å |
| 705 | E | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 108.3 | 169.7 | -179 | -176.7 | -151 | 0 | 0 | 107.9 | M591 R595 I665 I666 S667 D668 R669 Y729 | M591-E705 HydrophobicContact CG-CG 4.3Å; M591-E705 HydrophobicContact SD-CB 4.26Å; R595-E705 IonicContact NE-OE2 3.63Å; I665-E705 HydrophobicContact CG2-CB 4.24Å; I666-E705 PolarHBondContact O-N 2.92Å; S667-E705 WeakPolarHBondContact CA-O 3.3Å; S667-E705 WeakPolarHBondContact CB-OE2 3.33Å; S667-E705 PolarHBondContact OG-OE2 2.89Å; D668-E705 PolarHBondContact N-O 3.49Å; R669-E705 WeakPolarHBondContact CD-OE1 3.39Å; R669-E705 IonicContact CZ-OE1 2.72Å; R669-E705 IonicContact NE-OE1 3.16Å; R669-E705 PolarHBondContact NE-OE1 2.86Å; E705-Y729 HydrophobicContact CG-CD1 4.04Å |
| 706 | T | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 3% | 0.029 | C | C | . | . | trans | -139.8 | 141 | -167.9 | -176.8 | 0 | 0 | 0 | 0 | 115.2 | D668 I680 E708 S709 L718 I726 C727 P728 Y729 | D668-T706 VanDerWaalsContact OD1-CA 3.28Å; D668-T706 WeakPolarHBondContact OD1-CA 3.39Å; D668-T706 WeakPolarHBondContact OD2-CA 3.5Å; D668-T706 VanDerWaalsContact OD2-CB 3.29Å; D668-T706 WeakPolarHBondContact OD2-CB 3.38Å; D668-T706 PolarHBondContact OD2-OG1 3.38Å; I680-T706 HydrophobicContact CG1-CG2 4.44Å; I680-T706 HydrophobicContact CG2-CG2 4.21Å; I680-T706 WeakPolarHBondContact CG2-OG1 3.3Å; T706-E708 WeakPolarHBondContact OG1-CB 3.48Å; T706-E708 PolarHBondContact OG1-N 3.3Å; T706-S709 WeakPolarHBondContact CG2-OG 3.17Å; T706-L718 HydrophobicContact CG2-CD1 4.37Å; T706-I726 HydrophobicContact CG2-CG2 4.18Å; T706-C727 PolarHBondContact N-O 3.2Å; T706-P728 CarbonylContact O-C 3.5Å; T706-P728 WeakPolarHBondContact O-CA 3.27Å; T706-Y729 VanDerWaalsContact C-CD1 3.46Å; T706-Y729 VanDerWaalsContact C-CE1 3.45Å; T706-Y729 PolarHBondContact O-N 3.44Å | ||
| 707 | G | 94.8 | Very high | 96 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | S | Bend | trans | -83.8 | -11.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F490 Y492 D668 | F490-G707 WeakPolarHBondContact CB-O 3.2Å; Y492-G707 WeakPolarHBondContact CE2-O 3.38Å; Y492-G707 PolarHBondContact OH-O 3.34Å; D668-G707 PolarHBondContact OD1-N 2.91Å; D668-G707 PolarHBondContact OD2-N 2.98Å |
| 708 | E | 95.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 6.4 Ų | 6.4 | 4% | 0.042 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -87.3 | -28.3 | -169.8 | -155.7 | 178.3 | -175.2 | 0 | 0 | 114.2 | F490 H530 F532 I680 T706 K710 H714 | F490-E708 HydrophobicContact CD1-CB 3.79Å; F490-E708 HydrophobicContact CD1-CG 4.2Å; F490-E708 HydrophobicContact CE1-CB 4.36Å; H530-E708 IonicContact CE1-OE1 2.97Å; H530-E708 IonicContact CG-OE1 3.56Å; H530-E708 IonicContact ND1-OE1 3.77Å; H530-E708 PolarHBondContact ND1-OE1 2.81Å; F532-E708 HydrophobicContact CE2-CB 4.32Å; F532-E708 HydrophobicContact CE2-CG 3.9Å; I680-E708 HydrophobicContact CG2-CB 4.25Å; I680-E708 PolarHBondContact N-OE2 3.34Å; T706-E708 WeakPolarHBondContact OG1-CB 3.48Å; T706-E708 PolarHBondContact OG1-N 3.3Å; E708-K710 PolarHBondContact O-N 3.18Å; E708-H714 PolarHBondContact O-ND1 2.93Å |
| 709 | S | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 2% | 0.024 | C | C | . | . | trans | -81.1 | 116.6 | -173.7 | -60 | 0 | 0 | 0 | 0 | 113.1 | T706 L718 | T706-S709 WeakPolarHBondContact CG2-OG 3.17Å; S709-L718 VanDerWaalsContact OG-CD1 3.22Å; S709-L718 WeakPolarHBondContact OG-CD1 3.33Å | ||
| 710 | K | 93.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 1.3 Ų | 1.3 | 1% | 0.013 | 1% | 0.006 | C | C | . | . | trans | -137.4 | -16.3 | -176.7 | 57.2 | -174.6 | 173.9 | -81.2 | 0 | 115.2 | F490 G491 Y492 N496 H530 E708 H714 I731 | F490-K710 PolarHBondContact O-NZ 3.31Å; G491-K710 WeakPolarHBondContact O-CE 3.48Å; G491-K710 PolarHBondContact O-NZ 3.38Å; Y492-K710 HydrophobicContact CD1-CD 3.8Å; Y492-K710 HydrophobicContact CD2-CD 4.02Å; Y492-K710 HydrophobicContact CE1-CB 3.72Å; Y492-K710 HydrophobicContact CE1-CD 3.76Å; Y492-K710 HydrophobicContact CE1-CG 4.35Å; Y492-K710 HydrophobicContact CE2-CD 3.94Å; Y492-K710 HydrophobicContact CG-CD 3.94Å; N496-K710 HydrophobicContact CB-CD 4.29Å; N496-K710 WeakPolarHBondContact OD1-CE 3.33Å; H530-K710 PolarHBondContact NE2-NZ 3.5Å; E708-K710 PolarHBondContact O-N 3.18Å; K710-H714 PolarHBondContact N-ND1 3.21Å; K710-I731 HydrophobicContact CB-CD1 3.88Å | ||
| 711 | E | 94.1 | Very high | 96.6 | Very high | 14 Ų | 14 | 1.4 Ų | 1.4 | 7% | 0.065 | 1% | 0.006 | C | C | . | . | S | Bend | trans | -115 | 152.3 | -179.9 | -52.3 | -174.8 | -164.8 | 0 | 0 | 110.4 | N496 L500 H713 H714 F715 Y853 H1111 | N496-E711 PolarHBondContact ND2-OE1 3.2Å; N496-E711 VanDerWaalsContact ND2-OE1 3.14Å; L500-E711 HydrophobicContact CD1-CG 3.91Å; E711-H713 PolarHBondContact O-N 3.44Å; E711-H713 VanDerWaalsContact O-N 3.14Å; E711-H714 WeakPolarHBondContact O-CB 3.1Å; E711-H714 PolarHBondContact O-N 3.29Å; E711-F715 WeakPolarHBondContact O-CD2 3.46Å; E711-F715 WeakPolarHBondContact O-CE2 3.47Å; E711-F715 PolarHBondContact O-N 3.3Å; E711-Y853 PolarHBondContact OE1-OH 2.85Å; E711-Y853 PolarHBondContact OE2-OH 3.09Å; E711-H1111 IonicContact OE2-CD2 2.8Å; E711-H1111 IonicContact OE2-CE1 3.02Å; E711-H1111 IonicContact OE2-NE2 3.3Å; E711-H1111 PolarHBondContact OE2-NE2 3.5Å |
| 712 | V | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 1.4 Ų | 1.4 | 1% | 0.006 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -49 | -43.5 | 176.3 | 174.4 | 0 | 0 | 0 | 0 | 111 | M504 H714 F715 C716 V770 T1107 | M504-V712 HydrophobicContact CE-CG2 4.02Å; V712-H714 VanDerWaalsContact C-N 3.3Å; V712-H714 PolarHBondContact O-N 3.37Å; V712-F715 PolarHBondContact O-N 3.39Å; V712-F715 VanDerWaalsContact O-N 3.16Å; V712-C716 PolarHBondContact O-N 3.04Å; V712-C716 VanDerWaalsContact O-N 3.08Å; V712-C716 PolarHBondContact O-SG 3.2Å; V712-C716 VanDerWaalsContact O-SG 3.34Å; V712-V770 HydrophobicContact CG1-CG2 4.11Å; V712-T1107 HydrophobicContact CB-CG2 4.4Å; V712-T1107 HydrophobicContact CG1-CG2 4.41Å |
| 713 | H | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -59.2 | -35.4 | 178.9 | -175.4 | 56.6 | 0 | 0 | 0 | 114 | F532 F535 Q537 E711 F715 C716 T717 F788 T1107 H1111 | F532-H713 PolarHBondContact O-NE2 3.43Å; F535-H713 PolarHBondContact O-CE1 3.26Å; F535-H713 PolarHBondContact O-NE2 2.75Å; Q537-H713 PolarHBondContact NE2-ND1 3.1Å; E711-H713 PolarHBondContact O-N 3.44Å; E711-H713 VanDerWaalsContact O-N 3.14Å; H713-F715 VanDerWaalsContact C-N 3.32Å; H713-F715 PolarHBondContact O-N 3.38Å; H713-C716 PolarHBondContact O-N 3.22Å; H713-T717 VanDerWaalsContact CE1-CG2 3.49Å; H713-T717 WeakPolarHBondContact CE1-CG2 3.34Å; H713-T717 PolarHBondContact O-N 3.06Å; H713-T717 PolarHBondContact O-OG1 2.86Å; H713-F788 AromaticContact CE1-CD1 3.87Å; H713-F788 AromaticContact CE1-CE1 3.57Å; H713-F788 AromaticContact ND1-CE1 3.88Å; H713-T1107 HydrophobicContact CB-CG2 4.3Å; H713-H1111 HydrophobicContact CB-CB 4.23Å; H713-H1111 VanDerWaalsContact CB-CD2 3.44Å; H713-H1111 WeakPolarHBondContact CB-CD2 3.46Å; H713-H1111 AromaticContact CD2-CD2 3.91Å; H713-H1111 AromaticContact CD2-CE1 3.9Å; H713-H1111 AromaticContact CD2-CG 3.6Å; H713-H1111 AromaticContact CD2-ND1 3.63Å; H713-H1111 AromaticContact CG-CD2 3.71Å; H713-H1111 AromaticContact CG-CG 3.62Å |
| 714 | H | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 179.5 | -56.8 | -176.1 | 0 | 0 | 0 | 110.6 | F532 E708 K710 E711 V712 T717 L718 | F532-H714 HydrophobicContact CD1-CB 4.03Å; F532-H714 HydrophobicContact CD2-CB 4.15Å; F532-H714 AromaticContact CD2-CD2 3.77Å; F532-H714 AromaticContact CD2-CE1 3.97Å; F532-H714 AromaticContact CD2-CG 3.64Å; F532-H714 AromaticContact CD2-ND1 3.74Å; F532-H714 AromaticContact CD2-NE2 4Å; F532-H714 HydrophobicContact CE1-CB 4.01Å; F532-H714 HydrophobicContact CE2-CB 4.17Å; F532-H714 HydrophobicContact CG-CB 4.1Å; F532-H714 AromaticContact CG-CD2 3.6Å; F532-H714 AromaticContact CG-CG 3.76Å; F532-H714 HydrophobicContact CZ-CB 4.1Å; E708-H714 PolarHBondContact O-ND1 2.93Å; K710-H714 PolarHBondContact N-ND1 3.21Å; E711-H714 WeakPolarHBondContact O-CB 3.1Å; E711-H714 PolarHBondContact O-N 3.29Å; V712-H714 VanDerWaalsContact C-N 3.3Å; V712-H714 PolarHBondContact O-N 3.37Å; H714-T717 WeakPolarHBondContact CA-OG1 3.36Å; H714-T717 PolarHBondContact O-OG1 2.82Å; H714-L718 WeakPolarHBondContact O-CG 3.29Å; H714-L718 PolarHBondContact O-N 2.78Å |
| 715 | F | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -68.8 | -44.4 | 176.2 | -57.2 | -73.5 | 0 | 0 | 0 | 111.3 | I585 E711 V712 H713 T717 L718 I719 I726 P728 F759 V763 I767 | I585-F715 HydrophobicContact CD1-CB 4.29Å; I585-F715 HydrophobicContact CD1-CD1 3.39Å; I585-F715 HydrophobicContact CD1-CE1 3.87Å; I585-F715 HydrophobicContact CD1-CG 3.93Å; E711-F715 WeakPolarHBondContact O-CD2 3.46Å; E711-F715 WeakPolarHBondContact O-CE2 3.47Å; E711-F715 PolarHBondContact O-N 3.3Å; V712-F715 PolarHBondContact O-N 3.39Å; V712-F715 VanDerWaalsContact O-N 3.16Å; H713-F715 VanDerWaalsContact C-N 3.32Å; H713-F715 PolarHBondContact O-N 3.38Å; F715-T717 PolarHBondContact O-N 3.48Å; F715-L718 PolarHBondContact O-N 3.44Å; F715-I719 WeakPolarHBondContact O-CD1 3.45Å; F715-I719 VanDerWaalsContact O-CG1 3.25Å; F715-I719 WeakPolarHBondContact O-CG1 3.49Å; F715-I719 PolarHBondContact O-N 2.62Å; F715-I719 VanDerWaalsContact O-N 3.08Å; F715-I726 HydrophobicContact CB-CD1 4.16Å; F715-I726 HydrophobicContact CD1-CB 4.4Å; F715-I726 HydrophobicContact CD1-CD1 3.96Å; F715-I726 HydrophobicContact CD1-CG2 4.03Å; F715-I726 HydrophobicContact CE1-CG2 4.15Å; F715-P728 HydrophobicContact CE1-CB 3.78Å; F715-P728 HydrophobicContact CE1-CG 3.82Å; F715-P728 HydrophobicContact CZ-CB 3.95Å; F715-P728 HydrophobicContact CZ-CG 4.08Å; F715-F759 HydrophobicContact CE2-CZ 4.29Å; F715-F759 HydrophobicContact CZ-CE1 4.29Å; F715-F759 HydrophobicContact CZ-CZ 4.14Å; F715-V763 HydrophobicContact CB-CG1 4.34Å; F715-V763 HydrophobicContact CD2-CG1 3.59Å; F715-V763 HydrophobicContact CD2-CG2 4.29Å; F715-V763 HydrophobicContact CE2-CG1 4Å; F715-V763 HydrophobicContact CE2-CG2 3.91Å; F715-V763 HydrophobicContact CG-CG1 3.92Å; F715-I767 HydrophobicContact CB-CD1 4.23Å; F715-I767 HydrophobicContact CB-CG1 4.5Å |
| 716 | C | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 179.1 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | V712 H713 I719 G720 V770 F788 | V712-C716 PolarHBondContact O-N 3.04Å; V712-C716 VanDerWaalsContact O-N 3.08Å; V712-C716 PolarHBondContact O-SG 3.2Å; V712-C716 VanDerWaalsContact O-SG 3.34Å; H713-C716 PolarHBondContact O-N 3.22Å; C716-I719 PolarHBondContact O-N 2.97Å; C716-G720 PolarHBondContact O-N 3.41Å; C716-V770 HydrophobicContact CB-CG1 4.1Å; C716-F788 HydrophobicContact CB-CZ 3.91Å |
| 717 | T | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -64.8 | -47 | 177.4 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | F532 F535 H713 H714 F715 I719 G720 F721 F788 | F532-T717 WeakPolarHBondContact CD1-OG1 3.24Å; F535-T717 HydrophobicContact CB-CG2 3.99Å; F535-T717 HydrophobicContact CG-CG2 4.46Å; H713-T717 VanDerWaalsContact CE1-CG2 3.49Å; H713-T717 WeakPolarHBondContact CE1-CG2 3.34Å; H713-T717 PolarHBondContact O-N 3.06Å; H713-T717 PolarHBondContact O-OG1 2.86Å; H714-T717 WeakPolarHBondContact CA-OG1 3.36Å; H714-T717 PolarHBondContact O-OG1 2.82Å; F715-T717 PolarHBondContact O-N 3.48Å; T717-I719 VanDerWaalsContact C-N 3.31Å; T717-I719 PolarHBondContact O-N 3.12Å; T717-G720 PolarHBondContact O-N 2.76Å; T717-F721 WeakPolarHBondContact O-CB 3.01Å; T717-F721 WeakPolarHBondContact O-CD2 3.43Å; T717-F721 PolarHBondContact O-N 2.78Å; T717-F788 HydrophobicContact CG2-CD1 3.88Å; T717-F788 HydrophobicContact CG2-CD2 4.39Å; T717-F788 HydrophobicContact CG2-CE1 3.54Å; T717-F788 HydrophobicContact CG2-CE2 4.11Å; T717-F788 HydrophobicContact CG2-CG 4.3Å; T717-F788 HydrophobicContact CG2-CZ 3.67Å |
| 718 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -55.3 | -46 | 175.8 | -82.6 | 170.5 | 0 | 0 | 0 | 112.6 | F532 I680 L681 V684 A704 T706 S709 H714 F715 F721 G722 A723 I726 | F532-L718 HydrophobicContact CE1-CG 4.09Å; F532-L718 HydrophobicContact CZ-CD1 4.47Å; F532-L718 HydrophobicContact CZ-CG 4.44Å; I680-L718 HydrophobicContact CG1-CD2 4.38Å; I680-L718 HydrophobicContact CG2-CD1 4.35Å; I680-L718 HydrophobicContact CG2-CD2 4.17Å; L681-L718 HydrophobicContact CD1-CD2 4.09Å; L681-L718 HydrophobicContact CD1-CG 4.43Å; V684-L718 HydrophobicContact CB-CD2 4.2Å; V684-L718 HydrophobicContact CG1-CD2 4.46Å; V684-L718 HydrophobicContact CG2-CD2 3.99Å; A704-L718 HydrophobicContact CB-CD1 4.48Å; A704-L718 HydrophobicContact CB-CD2 4.42Å; T706-L718 HydrophobicContact CG2-CD1 4.37Å; S709-L718 VanDerWaalsContact OG-CD1 3.22Å; S709-L718 WeakPolarHBondContact OG-CD1 3.33Å; H714-L718 WeakPolarHBondContact O-CG 3.29Å; H714-L718 PolarHBondContact O-N 2.78Å; F715-L718 PolarHBondContact O-N 3.44Å; L718-F721 PolarHBondContact O-N 3.14Å; L718-G722 PolarHBondContact O-N 2.66Å; L718-A723 HydrophobicContact CB-CB 4.16Å; L718-A723 VanDerWaalsContact O-CB 3.22Å; L718-A723 WeakPolarHBondContact O-CB 3.33Å; L718-A723 PolarHBondContact O-N 2.62Å; L718-I726 HydrophobicContact CB-CD1 3.56Å; L718-I726 HydrophobicContact CB-CG1 4.28Å; L718-I726 HydrophobicContact CD1-CD1 3.85Å; L718-I726 HydrophobicContact CD1-CG1 4.23Å; L718-I726 HydrophobicContact CD1-CG2 4.13Å; L718-I726 HydrophobicContact CG-CD1 4.37Å |
| 719 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -65.9 | -47.1 | 177.6 | -66.5 | 165.7 | 0 | 0 | 0 | 110.8 | P584 F715 C716 T717 F721 G722 I726 I767 L779 Y782 K783 S784 | P584-I719 HydrophobicContact CB-CD1 3.93Å; P584-I719 HydrophobicContact CG-CD1 3.8Å; F715-I719 WeakPolarHBondContact O-CD1 3.45Å; F715-I719 VanDerWaalsContact O-CG1 3.25Å; F715-I719 WeakPolarHBondContact O-CG1 3.49Å; F715-I719 PolarHBondContact O-N 2.62Å; F715-I719 VanDerWaalsContact O-N 3.08Å; C716-I719 PolarHBondContact O-N 2.97Å; T717-I719 VanDerWaalsContact C-N 3.31Å; T717-I719 PolarHBondContact O-N 3.12Å; I719-F721 PolarHBondContact O-N 2.73Å; I719-G722 PolarHBondContact O-N 2.87Å; I719-I726 HydrophobicContact CD1-CD1 4.28Å; I719-I726 HydrophobicContact CG1-CD1 3.9Å; I719-I767 HydrophobicContact CD1-CD1 4.07Å; I719-L779 HydrophobicContact CD1-CD1 4.29Å; I719-L779 HydrophobicContact CG2-CD1 3.67Å; I719-Y782 HydrophobicContact CG2-CD1 3.82Å; I719-Y782 HydrophobicContact CG2-CE1 4.22Å; I719-K783 HydrophobicContact CG2-CG 3.67Å; I719-S784 PolarHBondContact O-N 3.47Å |
| 720 | G | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -63.4 | -24.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C716 T717 S784 Q786 | C716-G720 PolarHBondContact O-N 3.41Å; T717-G720 PolarHBondContact O-N 2.76Å; G720-S784 CarbonylContact O-C 3.46Å; G720-S784 WeakPolarHBondContact O-CA 3.34Å; G720-S784 PolarHBondContact O-N 3.17Å; G720-Q786 PolarHBondContact O-N 2.9Å |
| 721 | F | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 1.4 Ų | 1.4 | 0% | 0.004 | 1% | 0.007 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 12.4 | 174.9 | -68.7 | -66 | 0 | 0 | 0 | 114.4 | F535 L681 H688 T717 L718 I719 Q786 F788 F802 A805 | F535-F721 AromaticContact CD1-CE2 3.71Å; F535-F721 HydrophobicContact CD1-CE2 3.71Å; F535-F721 AromaticContact CD1-CZ 3.68Å; F535-F721 HydrophobicContact CD1-CZ 3.68Å; F535-F721 HydrophobicContact CD2-CE2 4.44Å; F535-F721 HydrophobicContact CE1-CE1 4.33Å; F535-F721 AromaticContact CE1-CE2 3.59Å; F535-F721 HydrophobicContact CE1-CE2 3.59Å; F535-F721 AromaticContact CE1-CZ 3.31Å; F535-F721 HydrophobicContact CE1-CZ 3.31Å; F535-F721 HydrophobicContact CE2-CE2 4.35Å; F535-F721 HydrophobicContact CG-CE2 4.13Å; F535-F721 AromaticContact CZ-CE2 3.93Å; F535-F721 HydrophobicContact CZ-CE2 3.93Å; F535-F721 AromaticContact CZ-CZ 3.94Å; F535-F721 HydrophobicContact CZ-CZ 3.94Å; L681-F721 HydrophobicContact CD1-CB 4.18Å; L681-F721 HydrophobicContact CD1-CD2 3.9Å; L681-F721 HydrophobicContact CD1-CG 4.41Å; H688-F721 WeakPolarHBondContact CB-O 3.5Å; H688-F721 PolarHBondContact CD2-O 3.25Å; T717-F721 WeakPolarHBondContact O-CB 3.01Å; T717-F721 WeakPolarHBondContact O-CD2 3.43Å; T717-F721 PolarHBondContact O-N 2.78Å; L718-F721 PolarHBondContact O-N 3.14Å; I719-F721 PolarHBondContact O-N 2.73Å; F721-Q786 HydrophobicContact CD1-CG 3.9Å; F721-Q786 HydrophobicContact CE1-CB 4.05Å; F721-Q786 HydrophobicContact CE1-CG 3.8Å; F721-F788 HydrophobicContact CE2-CB 4.43Å; F721-F788 AromaticContact CE2-CD2 3.92Å; F721-F788 HydrophobicContact CE2-CD2 3.92Å; F721-F788 HydrophobicContact CE2-CG 4.37Å; F721-F788 HydrophobicContact CZ-CB 4.32Å; F721-F788 HydrophobicContact CZ-CD2 4.3Å; F721-F802 HydrophobicContact CB-CD1 4.33Å; F721-F802 HydrophobicContact CB-CE1 4.48Å; F721-F802 HydrophobicContact CD1-CB 4.22Å; F721-F802 AromaticContact CD1-CD1 3.52Å; F721-F802 HydrophobicContact CD1-CD1 3.52Å; F721-F802 HydrophobicContact CD1-CE1 4.37Å; F721-F802 HydrophobicContact CD1-CG 4.29Å; F721-F802 HydrophobicContact CD2-CD1 4.15Å; F721-F802 HydrophobicContact CD2-CE1 4.31Å; F721-F802 HydrophobicContact CE1-CB 3.82Å; F721-F802 AromaticContact CE1-CD1 3.77Å; F721-F802 HydrophobicContact CE1-CD1 3.77Å; F721-F802 HydrophobicContact CE1-CG 4.13Å; F721-F802 HydrophobicContact CE2-CD1 4.36Å; F721-F802 AromaticContact CG-CD1 3.74Å; F721-F802 HydrophobicContact CG-CD1 3.74Å; F721-F802 HydrophobicContact CG-CE1 4.13Å; F721-F802 HydrophobicContact CZ-CB 4.44Å; F721-F802 HydrophobicContact CZ-CD1 4.19Å; F721-F802 HydrophobicContact CZ-CG 4.49Å; F721-A805 HydrophobicContact CE1-CB 4.12Å; F721-A805 HydrophobicContact CZ-CB 4.3Å |
| 722 | G | 94 | Very high | 96.2 | Very high | 1 Ų | 1 | 0.8 Ų | 0.8 | 1% | 0.01 | 0% | 0.004 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116 | 3.6 | 160 | 0 | 0 | 0 | 0 | 0 | 117 | R697 L718 I719 | R697-G722 PolarHBondContact NH2-O 3.17Å; L718-G722 PolarHBondContact O-N 2.66Å; I719-G722 PolarHBondContact O-N 2.87Å |
| 723 | A | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | trans | -66.1 | 132.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V684 L718 I726 | V684-A723 HydrophobicContact CG1-CB 4.11Å; L718-A723 HydrophobicContact CB-CB 4.16Å; L718-A723 VanDerWaalsContact O-CB 3.22Å; L718-A723 WeakPolarHBondContact O-CB 3.33Å; L718-A723 PolarHBondContact O-N 2.62Å; A723-I726 HydrophobicContact CB-CG1 4.31Å | ||
| 724 | D | 96.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 1.3 Ų | 1.3 | 5% | 0.053 | 1% | 0.007 | C | C | . | . | S | Bend | trans | -82.3 | -34 | 175.1 | -77.1 | -59.2 | 0 | 0 | 0 | 113.3 | I562 R697 G701 I702 K783 | I562-D724 HydrophobicContact CB-CB 4.01Å; I562-D724 HydrophobicContact CG2-CB 3.77Å; R697-D724 IonicContact CZ-OD2 2.62Å; R697-D724 IonicContact NH1-OD2 2.7Å; R697-D724 PolarHBondContact NH1-OD2 3.23Å; R697-D724 IonicContact NH2-OD1 3.68Å; R697-D724 IonicContact NH2-OD2 2.78Å; R697-D724 PolarHBondContact NH2-OD2 3.07Å; G701-D724 VanDerWaalsContact CA-OD2 3.25Å; G701-D724 WeakPolarHBondContact CA-OD2 3.25Å; I702-D724 PolarHBondContact N-OD2 2.88Å; I702-D724 WeakPolarHBondContact O-CA 3.3Å; I702-D724 VanDerWaalsContact O-CB 3.26Å; I702-D724 WeakPolarHBondContact O-CB 3.27Å; I702-D724 PolarHBondContact O-N 3.38Å; D724-K783 VanDerWaalsContact CA-NZ 3.25Å; D724-K783 WeakPolarHBondContact O-CE 3.39Å; D724-K783 PolarHBondContact O-NZ 3.38Å; D724-K783 IonicContact OD1-NZ 3.69Å; D724-K783 PolarHBondContact OD1-NZ 3.25Å |
| 725 | A | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.008 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 158.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | L581 P584 L586 I703 A704 | L581-A725 HydrophobicContact CD1-CB 3.6Å; P584-A725 CarbonylContact O-C 3.52Å; P584-A725 VanDerWaalsContact O-CA 3.24Å; P584-A725 WeakPolarHBondContact O-CA 3.32Å; P584-A725 WeakPolarHBondContact O-CB 3.26Å; L586-A725 HydrophobicContact CD1-CB 3.64Å; L586-A725 HydrophobicContact CD2-CB 4.14Å; L586-A725 HydrophobicContact CG-CB 3.8Å; I703-A725 WeakPolarHBondContact CA-O 3.29Å; I703-A725 HydrophobicContact CG1-CB 4.33Å; A704-A725 PolarHBondContact N-O 2.86Å |
| 726 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.011 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 128.4 | -173.6 | -53.9 | 166.1 | 0 | 0 | 0 | 109.5 | P584 I585 L586 A704 T706 F715 L718 I719 A723 P728 | P584-I726 PolarHBondContact O-N 2.91Å; I585-I726 CarbonylContact C-O 3.56Å; I585-I726 WeakPolarHBondContact CA-O 3.47Å; I585-I726 HydrophobicContact CD1-CB 4.32Å; L586-I726 PolarHBondContact N-O 2.84Å; A704-I726 HydrophobicContact CB-CG1 4.41Å; A704-I726 CarbonylContact O-C 3.42Å; A704-I726 VanDerWaalsContact O-CA 3.3Å; A704-I726 WeakPolarHBondContact O-CA 3.41Å; T706-I726 HydrophobicContact CG2-CG2 4.18Å; F715-I726 HydrophobicContact CB-CD1 4.16Å; F715-I726 HydrophobicContact CD1-CB 4.4Å; F715-I726 HydrophobicContact CD1-CD1 3.96Å; F715-I726 HydrophobicContact CD1-CG2 4.03Å; F715-I726 HydrophobicContact CE1-CG2 4.15Å; L718-I726 HydrophobicContact CB-CD1 3.56Å; L718-I726 HydrophobicContact CB-CG1 4.28Å; L718-I726 HydrophobicContact CD1-CD1 3.85Å; L718-I726 HydrophobicContact CD1-CG1 4.23Å; L718-I726 HydrophobicContact CD1-CG2 4.13Å; L718-I726 HydrophobicContact CG-CD1 4.37Å; I719-I726 HydrophobicContact CD1-CD1 4.28Å; I719-I726 HydrophobicContact CG1-CD1 3.9Å; A723-I726 HydrophobicContact CB-CG1 4.31Å; I726-P728 WeakPolarHBondContact O-CD 3.42Å |
| 727 | C | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 100.8 | 167.8 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | L586 M591 A704 T706 Y729 | L586-C727 HydrophobicContact CB-CB 4.21Å; M591-C727 HydrophobicContact CB-CB 4.06Å; M591-C727 HydrophobicContact CG-CB 3.85Å; M591-C727 HydrophobicContact SD-CB 3.69Å; A704-C727 PolarHBondContact O-N 2.82Å; T706-C727 PolarHBondContact N-O 3.2Å; C727-Y729 PolarHBondContact O-N 3.39Å |
| 728 | P | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 2.8 Ų | 2.8 | 0% | 0 | 2% | 0.015 | C | C | . | . | trans | -78.9 | 68.3 | 175.6 | 32.2 | -34.6 | 0 | 0 | 0 | 110.8 | I585 T706 F715 I726 L730 I731 F732 F759 | I585-P728 HydrophobicContact CG2-CG 4.07Å; T706-P728 CarbonylContact O-C 3.5Å; T706-P728 WeakPolarHBondContact O-CA 3.27Å; F715-P728 HydrophobicContact CE1-CB 3.78Å; F715-P728 HydrophobicContact CE1-CG 3.82Å; F715-P728 HydrophobicContact CZ-CB 3.95Å; F715-P728 HydrophobicContact CZ-CG 4.08Å; I726-P728 WeakPolarHBondContact O-CD 3.42Å; P728-L730 PolarHBondContact O-N 3.01Å; P728-L730 VanDerWaalsContact O-N 3.14Å; P728-I731 HydrophobicContact CB-CB 4.39Å; P728-I731 HydrophobicContact CB-CG1 4.26Å; P728-I731 WeakPolarHBondContact O-CB 3.29Å; P728-I731 PolarHBondContact O-N 3.23Å; P728-I731 VanDerWaalsContact O-N 3.11Å; P728-F732 HydrophobicContact CG-CE2 3.83Å; P728-F732 HydrophobicContact CG-CZ 4.01Å; P728-F759 HydrophobicContact CG-CE1 4.33Å | ||
| 729 | Y | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 3.9 Ų | 3.9 | 0% | 0.004 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -59.1 | -36 | -165.9 | 78.1 | -99.6 | 0 | 0 | 0 | 113.2 | D668 R669 E705 T706 C727 I731 F732 E733 | D668-Y729 WeakPolarHBondContact OD1-CE1 3.33Å; R669-Y729 HydrophobicContact CB-CE1 3.99Å; R669-Y729 HydrophobicContact CG-CE1 4.36Å; R669-Y729 VanDerWaalsContact NH2-CD2 3.31Å; R669-Y729 VanDerWaalsContact NH2-CG 3.31Å; E705-Y729 HydrophobicContact CG-CD1 4.04Å; T706-Y729 VanDerWaalsContact C-CD1 3.46Å; T706-Y729 VanDerWaalsContact C-CE1 3.45Å; T706-Y729 PolarHBondContact O-N 3.44Å; C727-Y729 PolarHBondContact O-N 3.39Å; Y729-I731 VanDerWaalsContact C-N 3.32Å; Y729-I731 PolarHBondContact O-N 2.84Å; Y729-F732 PolarHBondContact O-N 3.31Å; Y729-E733 WeakPolarHBondContact CD2-OE1 3.21Å; Y729-E733 WeakPolarHBondContact O-CG 3.41Å; Y729-E733 PolarHBondContact O-N 2.77Å |
| 730 | L | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -70.8 | -28.3 | -176.3 | -171.4 | 59.4 | 0 | 0 | 0 | 112.1 | R486 L487 F490 Y492 P728 S734 | R486-L730 HydrophobicContact CB-CD1 4.28Å; R486-L730 HydrophobicContact CB-CD2 4.21Å; L487-L730 HydrophobicContact CD2-CD1 4.4Å; L487-L730 HydrophobicContact CD2-CD2 4.21Å; L487-L730 HydrophobicContact CD2-CG 4.2Å; F490-L730 HydrophobicContact CB-CD2 4.12Å; F490-L730 HydrophobicContact CD2-CD2 3.57Å; F490-L730 HydrophobicContact CE2-CD2 4.37Å; F490-L730 HydrophobicContact CG-CD2 4.18Å; Y492-L730 HydrophobicContact CD2-CD2 4.25Å; Y492-L730 HydrophobicContact CE2-CD2 3.82Å; Y492-L730 HydrophobicContact CE2-CG 4.43Å; P728-L730 PolarHBondContact O-N 3.01Å; P728-L730 VanDerWaalsContact O-N 3.14Å; L730-S734 VanDerWaalsContact O-CB 3.22Å; L730-S734 WeakPolarHBondContact O-CB 3.42Å; L730-S734 PolarHBondContact O-N 2.85Å; L730-S734 PolarHBondContact O-OG 3.37Å |
| 731 | I | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.9 | -52.3 | 171 | -71.9 | -78 | 0 | 0 | 0 | 109.5 | Y492 I501 K710 P728 Y729 E733 S734 V735 F759 | Y492-I731 HydrophobicContact CE1-CD1 3.76Å; Y492-I731 HydrophobicContact CE1-CG1 4.46Å; Y492-I731 WeakPolarHBondContact OH-CG1 3.5Å; I501-I731 HydrophobicContact CD1-CD1 3.57Å; I501-I731 HydrophobicContact CG1-CD1 4.12Å; K710-I731 HydrophobicContact CB-CD1 3.88Å; P728-I731 HydrophobicContact CB-CB 4.39Å; P728-I731 HydrophobicContact CB-CG1 4.26Å; P728-I731 WeakPolarHBondContact O-CB 3.29Å; P728-I731 PolarHBondContact O-N 3.23Å; P728-I731 VanDerWaalsContact O-N 3.11Å; Y729-I731 VanDerWaalsContact C-N 3.32Å; Y729-I731 PolarHBondContact O-N 2.84Å; I731-E733 PolarHBondContact O-N 2.82Å; I731-S734 PolarHBondContact O-N 3.35Å; I731-S734 VanDerWaalsContact O-N 3.14Å; I731-V735 HydrophobicContact CG2-CG2 4.2Å; I731-V735 VanDerWaalsContact O-CG2 3.3Å; I731-V735 WeakPolarHBondContact O-CG2 3.46Å; I731-V735 PolarHBondContact O-N 2.82Å; I731-F759 HydrophobicContact CB-CE1 4.45Å; I731-F759 HydrophobicContact CB-CZ 4.4Å; I731-F759 HydrophobicContact CD1-CE2 4.31Å; I731-F759 HydrophobicContact CD1-CZ 4.18Å; I731-F759 HydrophobicContact CG1-CZ 4.08Å; I731-F759 HydrophobicContact CG2-CD1 3.95Å; I731-F759 HydrophobicContact CG2-CD2 4.13Å; I731-F759 HydrophobicContact CG2-CE1 3.74Å; I731-F759 HydrophobicContact CG2-CE2 3.93Å; I731-F759 HydrophobicContact CG2-CG 4.15Å; I731-F759 HydrophobicContact CG2-CZ 3.73Å |
| 732 | F | 91.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | -176.2 | -60 | -49.2 | 0 | 0 | 0 | 111.3 | I585 L586 L588 P728 Y729 S734 V735 S736 Y756 F759 I760 | I585-F732 HydrophobicContact CG2-CZ 4.31Å; L586-F732 WeakPolarHBondContact O-CE2 3.42Å; L588-F732 HydrophobicContact CD1-CB 3.86Å; L588-F732 HydrophobicContact CD2-CD2 4.3Å; L588-F732 HydrophobicContact CG-CB 4.03Å; L588-F732 HydrophobicContact CG-CD2 4.03Å; L588-F732 HydrophobicContact CG-CG 4.41Å; P728-F732 HydrophobicContact CG-CE2 3.83Å; P728-F732 HydrophobicContact CG-CZ 4.01Å; Y729-F732 PolarHBondContact O-N 3.31Å; F732-S734 VanDerWaalsContact C-N 3.3Å; F732-S734 PolarHBondContact O-N 2.88Å; F732-V735 PolarHBondContact O-N 3.3Å; F732-S736 PolarHBondContact O-N 3.19Å; F732-Y756 HydrophobicContact CB-CD1 4.23Å; F732-Y756 HydrophobicContact CB-CE1 3.89Å; F732-Y756 AromaticContact CD1-CD1 3.49Å; F732-Y756 HydrophobicContact CD1-CD1 3.49Å; F732-Y756 VanDerWaalsContact CD1-CD1 3.49Å; F732-Y756 HydrophobicContact CD1-CE1 4.05Å; F732-Y756 AromaticContact CD1-CG 3.81Å; F732-Y756 HydrophobicContact CD1-CG 3.81Å; F732-Y756 HydrophobicContact CE1-CD1 4.28Å; F732-Y756 HydrophobicContact CE1-CG 4.29Å; F732-Y756 HydrophobicContact CG-CD1 4.25Å; F732-Y756 HydrophobicContact CG-CE1 4.41Å; F732-Y756 WeakPolarHBondContact O-CE1 3.29Å; F732-Y756 PolarHBondContact O-OH 2.95Å; F732-F759 HydrophobicContact CE1-CD1 4Å; F732-I760 HydrophobicContact CE1-CD1 4.4Å; F732-I760 HydrophobicContact CE1-CG1 4.29Å; F732-I760 HydrophobicContact CZ-CD1 4.17Å; F732-I760 HydrophobicContact CZ-CG1 4.15Å |
| 733 | E | 88.9 | Confident | 87.1 | Confident | 6 Ų | 6 | 18.2 Ų | 18.2 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.7 | -40.4 | 173.7 | -71.9 | 179.6 | -160.7 | 0 | 0 | 112 | L477 R486 R669 Y729 I731 R737 | L477-E733 HydrophobicContact CD2-CB 3.64Å; L477-E733 HydrophobicContact CD2-CG 3.89Å; R486-E733 IonicContact CZ-OE2 3.55Å; R486-E733 VanDerWaalsContact CZ-OE2 3.24Å; R486-E733 IonicContact NH1-OE2 3.9Å; R486-E733 PolarHBondContact NH1-OE2 3.45Å; R486-E733 IonicContact NH2-OE2 2.69Å; R486-E733 PolarHBondContact NH2-OE2 2.78Å; R669-E733 IonicContact CZ-OE1 3.92Å; R669-E733 IonicContact NH1-OE1 2.97Å; R669-E733 PolarHBondContact NH1-OE1 3.39Å; R669-E733 IonicContact NH2-OE1 2.86Å; R669-E733 PolarHBondContact NH2-OE1 2.93Å; Y729-E733 WeakPolarHBondContact CD2-OE1 3.21Å; Y729-E733 WeakPolarHBondContact O-CG 3.41Å; Y729-E733 PolarHBondContact O-N 2.77Å; I731-E733 PolarHBondContact O-N 2.82Å; E733-R737 WeakPolarHBondContact O-CG 3.44Å; E733-R737 PolarHBondContact O-N 3.12Å |
| 734 | S | 87.4 | Confident | 85.7 | Confident | 6 Ų | 6 | 19.8 Ų | 19.8 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.7 | -39.7 | 178 | -59.6 | 0 | 0 | 0 | 0 | 113 | L730 I731 F732 R737 L738 | L730-S734 VanDerWaalsContact O-CB 3.22Å; L730-S734 WeakPolarHBondContact O-CB 3.42Å; L730-S734 PolarHBondContact O-N 2.85Å; L730-S734 PolarHBondContact O-OG 3.37Å; I731-S734 PolarHBondContact O-N 3.35Å; I731-S734 VanDerWaalsContact O-N 3.14Å; F732-S734 VanDerWaalsContact C-N 3.3Å; F732-S734 PolarHBondContact O-N 2.88Å; S734-R737 PolarHBondContact O-N 2.96Å; S734-L738 WeakPolarHBondContact O-CG 3.35Å; S734-L738 PolarHBondContact O-N 3.17Å |
| 735 | V | 87.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.9 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | I501 L505 I731 F732 R737 L738 N739 L744 L755 Y756 | I501-V735 HydrophobicContact CG2-CG2 4.48Å; L505-V735 HydrophobicContact CD1-CG1 4.25Å; L505-V735 HydrophobicContact CD1-CG2 3.94Å; L505-V735 HydrophobicContact CD2-CG1 4.1Å; L505-V735 HydrophobicContact CD2-CG2 4.11Å; I731-V735 HydrophobicContact CG2-CG2 4.2Å; I731-V735 VanDerWaalsContact O-CG2 3.3Å; I731-V735 WeakPolarHBondContact O-CG2 3.46Å; I731-V735 PolarHBondContact O-N 2.82Å; F732-V735 PolarHBondContact O-N 3.3Å; V735-R737 VanDerWaalsContact C-N 3.34Å; V735-R737 PolarHBondContact O-N 3.07Å; V735-L738 PolarHBondContact O-N 3.26Å; V735-N739 WeakPolarHBondContact O-CB 3.25Å; V735-N739 PolarHBondContact O-N 2.87Å; V735-L744 HydrophobicContact CG1-CD1 4.3Å; V735-L755 HydrophobicContact CG1-CB 3.84Å; V735-L755 HydrophobicContact CG1-CD1 4.08Å; V735-Y756 HydrophobicContact CB-CE1 4.14Å; V735-Y756 HydrophobicContact CG1-CD1 4.26Å; V735-Y756 HydrophobicContact CG1-CE1 4.06Å |
| 736 | S | 84.4 | Confident | 81.6 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.6 | -48.9 | 172.4 | 178.2 | 0 | 0 | 0 | 0 | 111.1 | F732 L738 N739 C740 E752 Y756 | F732-S736 PolarHBondContact O-N 3.19Å; S736-L738 PolarHBondContact O-N 3.17Å; S736-N739 WeakPolarHBondContact O-CB 3.26Å; S736-N739 PolarHBondContact O-N 2.75Å; S736-N739 VanDerWaalsContact O-N 3.14Å; S736-C740 PolarHBondContact O-N 2.94Å; S736-C740 PolarHBondContact O-SG 3.12Å; S736-E752 WeakPolarHBondContact CB-OE1 3.48Å; S736-E752 PolarHBondContact OG-OE1 2.79Å; S736-Y756 WeakPolarHBondContact CB-OH 3.25Å |
| 737 | R | 81.7 | Confident | 79 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.5 | -68.2 | -169.9 | -170.2 | 123.6 | 1.5 | 113.5 | L477 E478 I481 D484 R486 E733 S734 V735 N739 C740 E741 | L477-R737 HydrophobicContact CD2-CG 4.24Å; E478-R737 PolarHBondContact O-NE 3.37Å; I481-R737 HydrophobicContact CB-CB 4.25Å; D484-R737 IonicContact OD2-CZ 3.76Å; D484-R737 IonicContact OD2-NH1 3.75Å; D484-R737 PolarHBondContact OD2-NH1 3.2Å; D484-R737 IonicContact OD2-NH2 3.49Å; R486-R737 VanDerWaalsContact NH2-NH2 3.17Å; E733-R737 WeakPolarHBondContact O-CG 3.44Å; E733-R737 PolarHBondContact O-N 3.12Å; S734-R737 PolarHBondContact O-N 2.96Å; V735-R737 VanDerWaalsContact C-N 3.34Å; V735-R737 PolarHBondContact O-N 3.07Å; R737-N739 PolarHBondContact O-N 3.26Å; R737-C740 PolarHBondContact O-N 3.32Å; R737-C740 VanDerWaalsContact O-N 3.15Å; R737-E741 WeakPolarHBondContact O-CG 3.37Å; R737-E741 PolarHBondContact O-N 3.15Å |
| 738 | L | 79.6 | Confident | 76.7 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.9 | -35.2 | 175.5 | -73.7 | 170.7 | 0 | 0 | 0 | 111.9 | I481 I497 L502 S734 V735 S736 G742 L743 L744 | I481-L738 HydrophobicContact CD1-CD1 4.16Å; I481-L738 HydrophobicContact CD1-CD2 3.67Å; I481-L738 HydrophobicContact CD1-CG 3.57Å; I481-L738 HydrophobicContact CG2-CD2 4.4Å; I497-L738 HydrophobicContact CG2-CD1 4.3Å; L502-L738 HydrophobicContact CD2-CD1 4.43Å; S734-L738 WeakPolarHBondContact O-CG 3.35Å; S734-L738 PolarHBondContact O-N 3.17Å; V735-L738 PolarHBondContact O-N 3.26Å; S736-L738 PolarHBondContact O-N 3.17Å; L738-G742 PolarHBondContact O-N 2.65Å; L738-L743 HydrophobicContact CD2-CB 4.08Å; L738-L743 HydrophobicContact CD2-CD1 3.94Å; L738-L743 PolarHBondContact O-N 2.82Å; L738-L744 HydrophobicContact CB-CD1 4.12Å; L738-L744 HydrophobicContact CB-CD2 3.73Å; L738-L744 HydrophobicContact CB-CG 3.74Å; L738-L744 HydrophobicContact CD1-CD2 3.97Å; L738-L744 HydrophobicContact CG-CD2 4.43Å |
| 739 | N | 80.5 | Confident | 74.6 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.5 | -47.4 | 175.6 | -163.3 | 32.1 | 0 | 0 | 0 | 111.3 | V735 S736 R737 E741 G742 L744 V750 L755 | V735-N739 WeakPolarHBondContact O-CB 3.25Å; V735-N739 PolarHBondContact O-N 2.87Å; S736-N739 WeakPolarHBondContact O-CB 3.26Å; S736-N739 PolarHBondContact O-N 2.75Å; S736-N739 VanDerWaalsContact O-N 3.14Å; R737-N739 PolarHBondContact O-N 3.26Å; N739-E741 VanDerWaalsContact C-N 3.26Å; N739-E741 PolarHBondContact O-N 3.02Å; N739-G742 PolarHBondContact O-N 2.89Å; N739-L744 HydrophobicContact CB-CD1 3.77Å; N739-V750 PolarHBondContact ND2-O 3.06Å; N739-L755 HydrophobicContact CB-CD1 4.11Å |
| 740 | C | 77.8 | Confident | 73.2 | Confident | 101 Ų | 101 | 44.9 Ų | 44.9 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.1 | -35.2 | 176.9 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | S736 R737 G742 | S736-C740 PolarHBondContact O-N 2.94Å; S736-C740 PolarHBondContact O-SG 3.12Å; R737-C740 PolarHBondContact O-N 3.32Å; R737-C740 VanDerWaalsContact O-N 3.15Å; C740-G742 VanDerWaalsContact C-N 3.32Å |
| 741 | E | 73.2 | Confident | 72.6 | Confident | 63 Ų | 63 | 49.4 Ų | 49.4 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.7 | 176.4 | -68.6 | -180 | 172.4 | 0 | 0 | 113.7 | S480 I481 R737 N739 L743 | S480-E741 WeakPolarHBondContact CA-OE1 3.34Å; S480-E741 WeakPolarHBondContact CB-OE1 3.44Å; S480-E741 PolarHBondContact OG-OE1 3.4Å; I481-E741 VanDerWaalsContact CG2-OE2 3.23Å; I481-E741 WeakPolarHBondContact CG2-OE2 3.27Å; I481-E741 PolarHBondContact N-OE1 3.08Å; R737-E741 WeakPolarHBondContact O-CG 3.37Å; R737-E741 PolarHBondContact O-N 3.15Å; N739-E741 VanDerWaalsContact C-N 3.26Å; N739-E741 PolarHBondContact O-N 3.02Å; E741-L743 HydrophobicContact CB-CD1 4.07Å; E741-L743 HydrophobicContact CB-CG 4.06Å; E741-L743 WeakPolarHBondContact OE2-CD1 3.2Å |
| 742 | G | 69.4 | Low | 72.2 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 21.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L738 N739 C740 | L738-G742 PolarHBondContact O-N 2.65Å; N739-G742 PolarHBondContact O-N 2.89Å; C740-G742 VanDerWaalsContact C-N 3.32Å |
| 743 | L | 66.8 | Low | 71.8 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | trans | -88.3 | -11.2 | -174.5 | -67.4 | 174.9 | 0 | 0 | 0 | 114.4 | L738 E741 | L738-L743 HydrophobicContact CD2-CB 4.08Å; L738-L743 HydrophobicContact CD2-CD1 3.94Å; L738-L743 PolarHBondContact O-N 2.82Å; E741-L743 HydrophobicContact CB-CD1 4.07Å; E741-L743 HydrophobicContact CB-CG 4.06Å; E741-L743 WeakPolarHBondContact OE2-CD1 3.2Å | ||
| 744 | L | 67.3 | Low | 71.8 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 17% | 0.173 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -84.6 | -40.8 | -177.4 | -64.5 | 176.9 | 0 | 0 | 0 | 113.3 | L502 L505 V735 L738 N739 L755 | L502-L744 HydrophobicContact CD2-CD2 3.35Å; L505-L744 HydrophobicContact CD1-CD2 3.7Å; V735-L744 HydrophobicContact CG1-CD1 4.3Å; L738-L744 HydrophobicContact CB-CD1 4.12Å; L738-L744 HydrophobicContact CB-CD2 3.73Å; L738-L744 HydrophobicContact CB-CG 3.74Å; L738-L744 HydrophobicContact CD1-CD2 3.97Å; L738-L744 HydrophobicContact CG-CD2 4.43Å; N739-L744 HydrophobicContact CB-CD1 3.77Å; L744-L755 HydrophobicContact CD1-CD1 3.51Å; L744-L755 HydrophobicContact CD1-CD2 4.24Å |
| 745 | T | 56.1 | Low | 71.9 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | trans | -143.6 | 136.9 | -177.1 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | A747 V750 | T745-A747 PolarHBondContact O-N 2.96Å; T745-A747 VanDerWaalsContact O-N 3.09Å; T745-A747 PolarHBondContact OG1-O 2.78Å; T745-V750 HydrophobicContact CG2-CG2 4.27Å | ||
| 746 | S | 50 | Low | 72.1 | Confident | 106 Ų | 106 | 63.6 Ų | 63.6 | 74% | 0.741 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -72.7 | 6.9 | 174.6 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | K1619 | S746-K1619 PolarHBondContact OG-NZ 3.47Š|
| 747 | A | 44.5 | Very low | 72.4 | Confident | 60 Ų | 60 | 66.3 Ų | 66.3 | 50% | 0.496 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -149 | 120.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | T745 | T745-A747 PolarHBondContact O-N 2.96Å; T745-A747 VanDerWaalsContact O-N 3.09Å; T745-A747 PolarHBondContact OG1-O 2.78Å |
| 748 | T | 48.1 | Very low | 72.9 | Confident | 129 Ų | 129 | 67.2 Ų | 67.2 | 79% | 0.791 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 48.7 | 130.8 | 165.9 | 40.2 | 0 | 0 | 0 | 0 | 118.7 | V750 | T748-V750 PolarHBondContact O-N 3.34Š|
| 749 | V | 52.7 | Low | 73.6 | Confident | 142 Ų | 142 | 66.7 Ų | 66.7 | 86% | 0.861 | 40% | 0.399 | S | S | * | . | trans | -42.3 | 110.4 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 750 | V | 64.9 | Low | 74.3 | Confident | 36 Ų | 36 | 67 Ų | 67 | 22% | 0.218 | 40% | 0.401 | C | S | . | . | trans | -83.7 | 139.1 | 175.3 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | N739 T745 T748 E752 L755 | N739-V750 PolarHBondContact ND2-O 3.06Å; T745-V750 HydrophobicContact CG2-CG2 4.27Å; T748-V750 PolarHBondContact O-N 3.34Å; V750-E752 PolarHBondContact O-N 3.01Å; V750-L755 HydrophobicContact CB-CD1 4.33Å; V750-L755 HydrophobicContact CB-CD2 4.46Å; V750-L755 HydrophobicContact CB-CG 4.36Å; V750-L755 HydrophobicContact CG1-CD1 4.4Å; V750-L755 HydrophobicContact CG1-CD2 3.97Å; V750-L755 HydrophobicContact CG1-CG 3.91Å | ||
| 751 | N | 81.2 | Confident | 75.1 | Confident | 95 Ų | 95 | 64.2 Ų | 64.2 | 51% | 0.508 | 38% | 0.381 | S | S | . | . | trans | -61.8 | 127.7 | 175.6 | -178.4 | -8.1 | 0 | 0 | 0 | 109.9 | E753 E754 L755 | N751-E753 PolarHBondContact O-N 3.49Å; N751-E753 PolarHBondContact OD1-N 3.45Å; N751-E754 HydrophobicContact CB-CB 4.49Å; N751-E754 HydrophobicContact CB-CG 4.28Å; N751-E754 PolarHBondContact O-N 2.96Å; N751-E754 VanDerWaalsContact O-N 3.08Å; N751-L755 PolarHBondContact O-N 3.35Å | ||
| 752 | E | 82.5 | Confident | 76.1 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.2 | -35.3 | 179.4 | -65.6 | -171.6 | 165.5 | 0 | 0 | 112.8 | S736 V750 E754 L755 Y756 | S736-E752 WeakPolarHBondContact CB-OE1 3.48Å; S736-E752 PolarHBondContact OG-OE1 2.79Å; V750-E752 PolarHBondContact O-N 3.01Å; E752-E754 VanDerWaalsContact C-N 3.31Å; E752-E754 PolarHBondContact O-N 2.94Å; E752-L755 WeakPolarHBondContact O-CB 3.34Å; E752-L755 PolarHBondContact O-N 3.33Å; E752-L755 VanDerWaalsContact O-N 3.17Å; E752-Y756 HydrophobicContact CB-CE2 4.02Å; E752-Y756 WeakPolarHBondContact O-CD2 3.4Å; E752-Y756 VanDerWaalsContact O-CG 3.23Å; E752-Y756 PolarHBondContact O-N 2.83Å; E752-Y756 PolarHBondContact OE2-OH 3.25Å |
| 753 | E | 84.5 | Confident | 77.3 | Confident | 101 Ų | 101 | 58.9 Ų | 58.9 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -35 | 178.1 | -74.3 | -130 | 160 | 0 | 0 | 112.7 | K589 N751 L755 Y756 S757 | K589-E753 WeakPolarHBondContact CE-OE1 3.32Å; K589-E753 IonicContact NZ-OE1 2.71Å; K589-E753 PolarHBondContact NZ-OE1 3.32Å; N751-E753 PolarHBondContact O-N 3.49Å; N751-E753 PolarHBondContact OD1-N 3.45Å; E753-L755 VanDerWaalsContact C-N 3.33Å; E753-Y756 PolarHBondContact O-N 2.83Å; E753-S757 WeakPolarHBondContact O-CB 3.38Å; E753-S757 PolarHBondContact O-N 3.13Å |
| 754 | E | 88.2 | Confident | 78.7 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 56% | 0.561 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.8 | -36.2 | 174.7 | -73.6 | -176.1 | 152.6 | 0 | 0 | 111.4 | N751 E752 S758 | N751-E754 HydrophobicContact CB-CB 4.49Å; N751-E754 HydrophobicContact CB-CG 4.28Å; N751-E754 PolarHBondContact O-N 2.96Å; N751-E754 VanDerWaalsContact O-N 3.08Å; E752-E754 VanDerWaalsContact C-N 3.31Å; E752-E754 PolarHBondContact O-N 2.94Å; E754-S758 VanDerWaalsContact O-CB 3.31Å; E754-S758 WeakPolarHBondContact O-CB 3.17Å; E754-S758 PolarHBondContact O-N 2.83Å; E754-S758 PolarHBondContact O-OG 3.45Å |
| 755 | L | 88.7 | Confident | 80 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 175.9 | -66.6 | 171.9 | 0 | 0 | 0 | 111.3 | L505 V735 N739 L744 V750 N751 E752 E753 S758 F759 | L505-L755 HydrophobicContact CD2-CB 4.32Å; L505-L755 WeakPolarHBondContact CD2-O 3.06Å; V735-L755 HydrophobicContact CG1-CB 3.84Å; V735-L755 HydrophobicContact CG1-CD1 4.08Å; N739-L755 HydrophobicContact CB-CD1 4.11Å; L744-L755 HydrophobicContact CD1-CD1 3.51Å; L744-L755 HydrophobicContact CD1-CD2 4.24Å; V750-L755 HydrophobicContact CB-CD1 4.33Å; V750-L755 HydrophobicContact CB-CD2 4.46Å; V750-L755 HydrophobicContact CB-CG 4.36Å; V750-L755 HydrophobicContact CG1-CD1 4.4Å; V750-L755 HydrophobicContact CG1-CD2 3.97Å; V750-L755 HydrophobicContact CG1-CG 3.91Å; N751-L755 PolarHBondContact O-N 3.35Å; E752-L755 WeakPolarHBondContact O-CB 3.34Å; E752-L755 PolarHBondContact O-N 3.33Å; E752-L755 VanDerWaalsContact O-N 3.17Å; E753-L755 VanDerWaalsContact C-N 3.33Å; L755-S758 PolarHBondContact O-N 3.15Å; L755-F759 PolarHBondContact O-N 3.14Å |
| 756 | Y | 91.4 | Very high | 81.8 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.7 | -58.9 | -22.8 | 0 | 0 | 0 | 111.2 | F732 V735 S736 E752 E753 S758 F759 I760 | F732-Y756 HydrophobicContact CB-CD1 4.23Å; F732-Y756 HydrophobicContact CB-CE1 3.89Å; F732-Y756 AromaticContact CD1-CD1 3.49Å; F732-Y756 HydrophobicContact CD1-CD1 3.49Å; F732-Y756 VanDerWaalsContact CD1-CD1 3.49Å; F732-Y756 HydrophobicContact CD1-CE1 4.05Å; F732-Y756 AromaticContact CD1-CG 3.81Å; F732-Y756 HydrophobicContact CD1-CG 3.81Å; F732-Y756 HydrophobicContact CE1-CD1 4.28Å; F732-Y756 HydrophobicContact CE1-CG 4.29Å; F732-Y756 HydrophobicContact CG-CD1 4.25Å; F732-Y756 HydrophobicContact CG-CE1 4.41Å; F732-Y756 WeakPolarHBondContact O-CE1 3.29Å; F732-Y756 PolarHBondContact O-OH 2.95Å; V735-Y756 HydrophobicContact CB-CE1 4.14Å; V735-Y756 HydrophobicContact CG1-CD1 4.26Å; V735-Y756 HydrophobicContact CG1-CE1 4.06Å; S736-Y756 WeakPolarHBondContact CB-OH 3.25Å; E752-Y756 HydrophobicContact CB-CE2 4.02Å; E752-Y756 WeakPolarHBondContact O-CD2 3.4Å; E752-Y756 VanDerWaalsContact O-CG 3.23Å; E752-Y756 PolarHBondContact O-N 2.83Å; E752-Y756 PolarHBondContact OE2-OH 3.25Å; E753-Y756 PolarHBondContact O-N 2.83Å; Y756-S758 VanDerWaalsContact C-N 3.33Å; Y756-S758 PolarHBondContact O-N 2.89Å; Y756-F759 PolarHBondContact O-N 3Å; Y756-I760 WeakPolarHBondContact O-CB 3.42Å; Y756-I760 VanDerWaalsContact O-CG1 3.25Å; Y756-I760 WeakPolarHBondContact O-CG1 3.43Å; Y756-I760 PolarHBondContact O-N 2.72Å |
| 757 | S | 91.7 | Very high | 84 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 46% | 0.462 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.3 | -175.5 | 0 | 0 | 0 | 0 | 112 | E753 I760 T761 | E753-S757 WeakPolarHBondContact O-CB 3.38Å; E753-S757 PolarHBondContact O-N 3.13Å; S757-I760 PolarHBondContact O-N 2.9Å; S757-T761 VanDerWaalsContact O-CB 3.31Å; S757-T761 WeakPolarHBondContact O-CB 3.38Å; S757-T761 PolarHBondContact O-N 2.85Å; S757-T761 PolarHBondContact O-OG1 3.05Å |
| 758 | S | 92.3 | Very high | 86.4 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | E754 L755 Y756 S762 | E754-S758 VanDerWaalsContact O-CB 3.31Å; E754-S758 WeakPolarHBondContact O-CB 3.17Å; E754-S758 PolarHBondContact O-N 2.83Å; E754-S758 PolarHBondContact O-OG 3.45Å; L755-S758 PolarHBondContact O-N 3.15Å; Y756-S758 VanDerWaalsContact C-N 3.33Å; Y756-S758 PolarHBondContact O-N 2.89Å; S758-S762 PolarHBondContact O-N 3.2Å |
| 759 | F | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 173.6 | 179.4 | -99.2 | 0 | 0 | 0 | 111.2 | M504 L505 F715 P728 I731 F732 L755 Y756 T761 S762 V763 | M504-F759 HydrophobicContact CB-CD2 4.43Å; M504-F759 HydrophobicContact SD-CD2 4.39Å; M504-F759 HydrophobicContact SD-CE2 4.04Å; L505-F759 HydrophobicContact CD2-CB 3.97Å; F715-F759 HydrophobicContact CE2-CZ 4.29Å; F715-F759 HydrophobicContact CZ-CE1 4.29Å; F715-F759 HydrophobicContact CZ-CZ 4.14Å; P728-F759 HydrophobicContact CG-CE1 4.33Å; I731-F759 HydrophobicContact CB-CE1 4.45Å; I731-F759 HydrophobicContact CB-CZ 4.4Å; I731-F759 HydrophobicContact CD1-CE2 4.31Å; I731-F759 HydrophobicContact CD1-CZ 4.18Å; I731-F759 HydrophobicContact CG1-CZ 4.08Å; I731-F759 HydrophobicContact CG2-CD1 3.95Å; I731-F759 HydrophobicContact CG2-CD2 4.13Å; I731-F759 HydrophobicContact CG2-CE1 3.74Å; I731-F759 HydrophobicContact CG2-CE2 3.93Å; I731-F759 HydrophobicContact CG2-CG 4.15Å; I731-F759 HydrophobicContact CG2-CZ 3.73Å; F732-F759 HydrophobicContact CE1-CD1 4Å; L755-F759 PolarHBondContact O-N 3.14Å; Y756-F759 PolarHBondContact O-N 3Å; F759-T761 VanDerWaalsContact C-N 3.31Å; F759-T761 PolarHBondContact O-N 2.99Å; F759-S762 WeakPolarHBondContact O-CB 3.43Å; F759-S762 PolarHBondContact O-N 3.12Å; F759-S762 PolarHBondContact O-OG 3.3Å; F759-V763 HydrophobicContact CD1-CG2 4.26Å; F759-V763 HydrophobicContact CE1-CG2 3.76Å; F759-V763 HydrophobicContact CE2-CG2 4.12Å; F759-V763 HydrophobicContact CZ-CG2 3.68Å; F759-V763 PolarHBondContact O-N 2.95Å |
| 760 | I | 95.2 | Very high | 90.6 | Very high | 30 Ų | 30 | 36.7 Ų | 36.7 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 179.1 | -69.9 | 168 | 0 | 0 | 0 | 110.9 | N583 I585 F732 Y756 S757 S762 V763 E764 | N583-I760 WeakPolarHBondContact ND2-CG2 3.48Å; I585-I760 HydrophobicContact CB-CG2 4.49Å; I585-I760 HydrophobicContact CG2-CG1 3.99Å; F732-I760 HydrophobicContact CE1-CD1 4.4Å; F732-I760 HydrophobicContact CE1-CG1 4.29Å; F732-I760 HydrophobicContact CZ-CD1 4.17Å; F732-I760 HydrophobicContact CZ-CG1 4.15Å; Y756-I760 WeakPolarHBondContact O-CB 3.42Å; Y756-I760 VanDerWaalsContact O-CG1 3.25Å; Y756-I760 WeakPolarHBondContact O-CG1 3.43Å; Y756-I760 PolarHBondContact O-N 2.72Å; S757-I760 PolarHBondContact O-N 2.9Å; I760-S762 VanDerWaalsContact C-N 3.31Å; I760-S762 PolarHBondContact O-N 3.13Å; I760-V763 PolarHBondContact O-N 3.13Å; I760-E764 WeakPolarHBondContact O-CB 3.39Å; I760-E764 PolarHBondContact O-N 2.8Å |
| 761 | T | 94.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 35 Ų | 35 | 26% | 0.258 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | S757 F759 R765 | S757-T761 VanDerWaalsContact O-CB 3.31Å; S757-T761 WeakPolarHBondContact O-CB 3.38Å; S757-T761 PolarHBondContact O-N 2.85Å; S757-T761 PolarHBondContact O-OG1 3.05Å; F759-T761 VanDerWaalsContact C-N 3.31Å; F759-T761 PolarHBondContact O-N 2.99Å; T761-R765 WeakPolarHBondContact O-CG 3.45Å; T761-R765 PolarHBondContact O-N 2.82Å; T761-R765 VanDerWaalsContact O-N 3.08Å |
| 762 | S | 94.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 177 | 78.4 | 0 | 0 | 0 | 0 | 112.1 | M504 S758 F759 I760 R765 G766 | M504-S762 WeakPolarHBondContact CB-OG 3.49Å; M504-S762 WeakPolarHBondContact CG-OG 3.47Å; S758-S762 PolarHBondContact O-N 3.2Å; F759-S762 WeakPolarHBondContact O-CB 3.43Å; F759-S762 PolarHBondContact O-N 3.12Å; F759-S762 PolarHBondContact O-OG 3.3Å; I760-S762 VanDerWaalsContact C-N 3.31Å; I760-S762 PolarHBondContact O-N 3.13Å; S762-R765 PolarHBondContact O-N 2.76Å; S762-G766 PolarHBondContact O-N 2.72Å |
| 763 | V | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 176.6 | 176 | 0 | 0 | 0 | 0 | 110.7 | I585 F715 F759 I760 R765 G766 I767 | I585-V763 HydrophobicContact CD1-CG1 3.99Å; I585-V763 HydrophobicContact CG1-CB 4.47Å; I585-V763 HydrophobicContact CG1-CG1 3.8Å; F715-V763 HydrophobicContact CB-CG1 4.34Å; F715-V763 HydrophobicContact CD2-CG1 3.59Å; F715-V763 HydrophobicContact CD2-CG2 4.29Å; F715-V763 HydrophobicContact CE2-CG1 4Å; F715-V763 HydrophobicContact CE2-CG2 3.91Å; F715-V763 HydrophobicContact CG-CG1 3.92Å; F759-V763 HydrophobicContact CD1-CG2 4.26Å; F759-V763 HydrophobicContact CE1-CG2 3.76Å; F759-V763 HydrophobicContact CE2-CG2 4.12Å; F759-V763 HydrophobicContact CZ-CG2 3.68Å; F759-V763 PolarHBondContact O-N 2.95Å; I760-V763 PolarHBondContact O-N 3.13Å; V763-R765 PolarHBondContact O-N 2.66Å; V763-G766 CarbonylContact O-C 3.59Å; V763-G766 WeakPolarHBondContact O-CA 3.37Å; V763-G766 PolarHBondContact O-N 2.93Å; V763-G766 VanDerWaalsContact O-N 3.1Å; V763-I767 HydrophobicContact CG1-CD1 3.79Å; V763-I767 HydrophobicContact CG1-CG1 4.16Å; V763-I767 WeakPolarHBondContact O-CG1 3.39Å; V763-I767 PolarHBondContact O-N 3.02Å |
| 764 | E | 95.1 | Very high | 93.7 | Very high | 38 Ų | 38 | 24.1 Ų | 24.1 | 18% | 0.178 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.9 | -52 | 172.8 | 162.7 | 177.3 | 157.3 | 0 | 0 | 111.2 | R553 L558 I760 G766 I767 L768 | R553-E764 IonicContact CZ-OE1 3.14Å; R553-E764 IonicContact NH1-OE1 2.74Å; R553-E764 IonicContact NH2-OE1 3.94Å; R553-E764 PolarHBondContact NH2-OE1 2.83Å; L558-E764 HydrophobicContact CD1-CB 3.92Å; L558-E764 HydrophobicContact CD1-CG 3.64Å; I760-E764 WeakPolarHBondContact O-CB 3.39Å; I760-E764 PolarHBondContact O-N 2.8Å; E764-G766 VanDerWaalsContact C-N 3.26Å; E764-G766 PolarHBondContact O-N 2.96Å; E764-I767 PolarHBondContact O-N 3.39Å; E764-L768 HydrophobicContact CG-CD1 4.07Å; E764-L768 WeakPolarHBondContact O-CG 3.35Å; E764-L768 PolarHBondContact O-N 2.9Å |
| 765 | R | 94 | Very high | 93.9 | Very high | 76 Ų | 76 | 18.5 Ų | 18.5 | 29% | 0.287 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -60.5 | -38.8 | 177.2 | -74.2 | 177.9 | 167.8 | 164.7 | -1.9 | 111.7 | S508 K509 F550 T761 S762 V763 K769 | S508-R765 PolarHBondContact O-NH1 3.17Å; K509-R765 VanDerWaalsContact CG-NH1 3.3Å; F550-R765 HydrophobicContact CE1-CB 4.05Å; F550-R765 HydrophobicContact CE1-CG 4.03Å; T761-R765 WeakPolarHBondContact O-CG 3.45Å; T761-R765 PolarHBondContact O-N 2.82Å; T761-R765 VanDerWaalsContact O-N 3.08Å; S762-R765 PolarHBondContact O-N 2.76Å; V763-R765 PolarHBondContact O-N 2.66Å; R765-K769 WeakPolarHBondContact O-CB 3.3Å; R765-K769 PolarHBondContact O-N 2.88Å |
| 766 | G | 94 | Very high | 94.2 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S762 V763 E764 K769 V770 | S762-G766 PolarHBondContact O-N 2.72Å; V763-G766 CarbonylContact O-C 3.59Å; V763-G766 WeakPolarHBondContact O-CA 3.37Å; V763-G766 PolarHBondContact O-N 2.93Å; V763-G766 VanDerWaalsContact O-N 3.1Å; E764-G766 VanDerWaalsContact C-N 3.26Å; E764-G766 PolarHBondContact O-N 2.96Å; G766-K769 WeakPolarHBondContact O-CB 3.4Å; G766-K769 PolarHBondContact O-N 3.34Å; G766-K769 VanDerWaalsContact O-N 3.14Å; G766-V770 WeakPolarHBondContact O-CG2 3.3Å; G766-V770 PolarHBondContact O-N 2.95Å |
| 767 | I | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.9 | -46.7 | 179 | -67.2 | 169.1 | 0 | 0 | 0 | 110.2 | L558 P584 I585 F715 I719 V763 E764 K769 V770 M771 L779 | L558-I767 HydrophobicContact CD1-CB 4.42Å; L558-I767 HydrophobicContact CD1-CG2 4.44Å; L558-I767 HydrophobicContact CD2-CB 4.42Å; L558-I767 HydrophobicContact CD2-CG2 3.71Å; P584-I767 HydrophobicContact CG-CD1 4.02Å; I585-I767 HydrophobicContact CD1-CD1 4.38Å; F715-I767 HydrophobicContact CB-CD1 4.23Å; F715-I767 HydrophobicContact CB-CG1 4.5Å; I719-I767 HydrophobicContact CD1-CD1 4.07Å; V763-I767 HydrophobicContact CG1-CD1 3.79Å; V763-I767 HydrophobicContact CG1-CG1 4.16Å; V763-I767 WeakPolarHBondContact O-CG1 3.39Å; V763-I767 PolarHBondContact O-N 3.02Å; E764-I767 PolarHBondContact O-N 3.39Å; I767-K769 VanDerWaalsContact C-N 3.26Å; I767-K769 PolarHBondContact O-N 3.05Å; I767-V770 PolarHBondContact O-N 3.47Å; I767-V770 VanDerWaalsContact O-N 3.16Å; I767-M771 HydrophobicContact CG2-CG 4.36Å; I767-M771 HydrophobicContact CG2-SD 3.8Å; I767-M771 WeakPolarHBondContact O-CG 3.11Å; I767-M771 PolarHBondContact O-N 2.94Å; I767-L779 HydrophobicContact CG2-CD1 4.32Å |
| 768 | L | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 3% | 0.026 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -56.7 | -42.1 | 174.9 | -71.7 | 170 | 0 | 0 | 0 | 111.2 | P549 M556 L558 E764 M771 A772 | P549-L768 HydrophobicContact CB-CB 4Å; M556-L768 HydrophobicContact CB-CD2 4.04Å; M556-L768 HydrophobicContact CE-CB 4.42Å; M556-L768 HydrophobicContact CE-CD2 3.92Å; M556-L768 WeakPolarHBondContact CE-O 3.12Å; L558-L768 HydrophobicContact CD1-CG 4.37Å; L558-L768 HydrophobicContact CD2-CD2 3.67Å; L558-L768 HydrophobicContact CD2-CG 4Å; L558-L768 HydrophobicContact CG-CD2 3.9Å; L558-L768 HydrophobicContact CG-CG 4.04Å; E764-L768 HydrophobicContact CG-CD1 4.07Å; E764-L768 WeakPolarHBondContact O-CG 3.35Å; E764-L768 PolarHBondContact O-N 2.9Å; L768-M771 PolarHBondContact O-N 3.1Å; L768-A772 WeakPolarHBondContact O-CB 3.48Å; L768-A772 PolarHBondContact O-N 3.35Å |
| 769 | K | 93.8 | Very high | 94.5 | Very high | 29 Ų | 29 | 12.5 Ų | 12.5 | 13% | 0.126 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 176.4 | -159.3 | -173.9 | -152.4 | -164.8 | 0 | 112.2 | P549 R765 G766 I767 A772 K773 E1011 E1014 S1105 | P549-K769 HydrophobicContact CG-CB 4.46Å; P549-K769 HydrophobicContact CG-CG 4.47Å; R765-K769 WeakPolarHBondContact O-CB 3.3Å; R765-K769 PolarHBondContact O-N 2.88Å; G766-K769 WeakPolarHBondContact O-CB 3.4Å; G766-K769 PolarHBondContact O-N 3.34Å; G766-K769 VanDerWaalsContact O-N 3.14Å; I767-K769 VanDerWaalsContact C-N 3.26Å; I767-K769 PolarHBondContact O-N 3.05Å; K769-A772 PolarHBondContact O-N 2.99Å; K769-K773 WeakPolarHBondContact O-CG 3.42Å; K769-K773 PolarHBondContact O-N 3.41Å; K769-E1011 WeakPolarHBondContact CE-OE2 3.4Å; K769-E1011 IonicContact NZ-OE1 3.68Å; K769-E1011 IonicContact NZ-OE2 3.55Å; K769-E1011 PolarHBondContact NZ-OE2 3.35Å; K769-E1014 IonicContact NZ-OE1 2.75Å; K769-E1014 PolarHBondContact NZ-OE1 3.43Å; K769-S1105 PolarHBondContact NZ-OG 2.84Å |
| 770 | V | 95.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.042 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 179.8 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | Q537 V712 C716 G766 I767 A772 K773 T1107 | Q537-V770 HydrophobicContact CG-CG1 4.05Å; V712-V770 HydrophobicContact CG1-CG2 4.11Å; C716-V770 HydrophobicContact CB-CG1 4.1Å; G766-V770 WeakPolarHBondContact O-CG2 3.3Å; G766-V770 PolarHBondContact O-N 2.95Å; I767-V770 PolarHBondContact O-N 3.47Å; I767-V770 VanDerWaalsContact O-N 3.16Å; V770-A772 VanDerWaalsContact C-N 3.31Å; V770-A772 PolarHBondContact O-N 3.36Å; V770-K773 WeakPolarHBondContact O-CB 3.44Å; V770-K773 PolarHBondContact O-N 3.3Å; V770-T1107 HydrophobicContact CG2-CG2 4.11Å |
| 771 | M | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 175 | -69.5 | 167.6 | 48.4 | 0 | 0 | 111.7 | M556 L558 I767 L768 K773 M774 G775 I776 L779 Y782 | M556-M771 HydrophobicContact CE-CB 4.12Å; M556-M771 HydrophobicContact CE-CE 4.21Å; L558-M771 HydrophobicContact CD2-CE 4.46Å; L558-M771 HydrophobicContact CD2-SD 3.68Å; I767-M771 HydrophobicContact CG2-CG 4.36Å; I767-M771 HydrophobicContact CG2-SD 3.8Å; I767-M771 WeakPolarHBondContact O-CG 3.11Å; I767-M771 PolarHBondContact O-N 2.94Å; L768-M771 PolarHBondContact O-N 3.1Å; M771-K773 PolarHBondContact O-N 2.74Å; M771-M774 PolarHBondContact O-N 2.88Å; M771-G775 PolarHBondContact O-N 2.93Å; M771-I776 HydrophobicContact CB-CB 4.43Å; M771-I776 HydrophobicContact CE-CG2 4.43Å; M771-I776 PolarHBondContact O-N 3.25Å; M771-I776 VanDerWaalsContact O-N 3.1Å; M771-L779 HydrophobicContact CE-CB 4.36Å; M771-L779 VanDerWaalsContact CE-N 3.27Å; M771-L779 HydrophobicContact SD-CB 4.33Å; M771-L779 HydrophobicContact SD-CD1 4Å; M771-Y782 HydrophobicContact CB-CD2 4.39Å; M771-Y782 HydrophobicContact CG-CD1 4.24Å; M771-Y782 HydrophobicContact CG-CD2 3.7Å; M771-Y782 HydrophobicContact CG-CE2 4.13Å; M771-Y782 HydrophobicContact CG-CG 3.77Å |
| 772 | A | 94.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.017 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.4 | -24.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P546 I547 P549 M556 L768 K769 V770 M774 G775 | P546-A772 CarbonylContact C-O 3.56Å; P546-A772 WeakPolarHBondContact CA-O 3.44Å; P546-A772 VanDerWaalsContact CB-O 3.27Å; P546-A772 WeakPolarHBondContact CB-O 3.42Å; I547-A772 HydrophobicContact CB-CB 4.28Å; I547-A772 PolarHBondContact N-O 3.33Å; I547-A772 WeakPolarHBondContact O-CB 3.36Å; P549-A772 HydrophobicContact CB-CB 3.99Å; P549-A772 HydrophobicContact CG-CB 4.19Å; M556-A772 HydrophobicContact CE-CB 3.99Å; M556-A772 HydrophobicContact SD-CB 3.97Å; L768-A772 WeakPolarHBondContact O-CB 3.48Å; L768-A772 PolarHBondContact O-N 3.35Å; K769-A772 PolarHBondContact O-N 2.99Å; V770-A772 VanDerWaalsContact C-N 3.31Å; V770-A772 PolarHBondContact O-N 3.36Å; A772-M774 PolarHBondContact O-N 3.2Å; A772-G775 PolarHBondContact O-N 3.07Å |
| 773 | K | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 9.8 Ų | 9.8 | 1% | 0.009 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 175.2 | -69.5 | 179.2 | -178.8 | -175.4 | 0 | 112.7 | F539 A540 K769 V770 M771 E1011 | F539-K773 HydrophobicContact CB-CB 3.97Å; A540-K773 WeakPolarHBondContact CB-O 3.32Å; A540-K773 PolarHBondContact N-O 3.07Å; K769-K773 WeakPolarHBondContact O-CG 3.42Å; K769-K773 PolarHBondContact O-N 3.41Å; V770-K773 WeakPolarHBondContact O-CB 3.44Å; V770-K773 PolarHBondContact O-N 3.3Å; M771-K773 PolarHBondContact O-N 2.74Å; K773-E1011 WeakPolarHBondContact CE-OE1 3.45Å; K773-E1011 HydrophobicContact CG-CG 4.3Å; K773-E1011 IonicContact NZ-OE1 3.2Å; K773-E1011 PolarHBondContact NZ-OE1 2.78Å; K773-E1011 VanDerWaalsContact NZ-OE1 3.12Å |
| 774 | M | 92.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 9.8 Ų | 9.8 | 11% | 0.113 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 1.1 | 176.7 | -171.6 | 51.4 | 78.9 | 0 | 0 | 112.1 | N258 L538 F539 A540 N544 M771 A772 I776 I787 | N258-M774 HydrophobicContact CB-CG 4.18Å; N258-M774 PolarHBondContact ND2-O 2.72Å; L538-M774 HydrophobicContact CB-CE 3.54Å; F539-M774 VanDerWaalsContact C-CE 3.42Å; F539-M774 WeakPolarHBondContact O-CE 3.31Å; A540-M774 HydrophobicContact CB-SD 4.13Å; N544-M774 PolarHBondContact ND2-O 3.06Å; M771-M774 PolarHBondContact O-N 2.88Å; A772-M774 PolarHBondContact O-N 3.2Å; M774-I776 HydrophobicContact CB-CD1 4.01Å; M774-I776 HydrophobicContact CB-CG1 4.1Å; M774-I776 HydrophobicContact CG-CD1 3.95Å; M774-I776 HydrophobicContact CG-CG1 4.14Å; M774-I787 HydrophobicContact CB-CG2 3.96Å; M774-I787 HydrophobicContact CE-CG2 4.05Å; M774-I787 HydrophobicContact CG-CG2 4Å |
| 775 | G | 92.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 8 Ų | 8 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 25.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N258 P545 I547 M771 A772 | N258-G775 PolarHBondContact ND2-O 3.41Å; P545-G775 WeakPolarHBondContact O-CA 3.32Å; I547-G775 VanDerWaalsContact CD1-C 3.47Å; I547-G775 VanDerWaalsContact CD1-O 3.23Å; I547-G775 WeakPolarHBondContact CD1-O 3.27Å; M771-G775 PolarHBondContact O-N 2.93Å; A772-G775 PolarHBondContact O-N 3.07Å |
| 776 | I | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.023 | C | C | . | . | trans | -89.8 | 123.1 | 179.2 | -58.9 | 171.6 | 0 | 0 | 0 | 108.8 | T259 M556 M771 M774 T778 Y782 I787 | T259-I776 HydrophobicContact CG2-CB 4.47Å; T259-I776 HydrophobicContact CG2-CD1 3.82Å; T259-I776 HydrophobicContact CG2-CG1 3.79Å; T259-I776 HydrophobicContact CG2-CG2 3.89Å; M556-I776 VanDerWaalsContact CE-O 3.27Å; M556-I776 WeakPolarHBondContact CE-O 3.21Å; M771-I776 HydrophobicContact CB-CB 4.43Å; M771-I776 HydrophobicContact CE-CG2 4.43Å; M771-I776 PolarHBondContact O-N 3.25Å; M771-I776 VanDerWaalsContact O-N 3.1Å; M774-I776 HydrophobicContact CB-CD1 4.01Å; M774-I776 HydrophobicContact CB-CG1 4.1Å; M774-I776 HydrophobicContact CG-CD1 3.95Å; M774-I776 HydrophobicContact CG-CG1 4.14Å; I776-T778 WeakPolarHBondContact CG2-O 3.45Å; I776-Y782 HydrophobicContact CD1-CD2 3.83Å; I776-I787 HydrophobicContact CD1-CD1 3.97Å; I776-I787 HydrophobicContact CD1-CG1 3.81Å | ||
| 777 | S | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 5 Ų | 5 | 0% | 0 | 3% | 0.025 | C | C | . | . | trans | -89.9 | -29.8 | -177.6 | -66.3 | 0 | 0 | 0 | 0 | 113.2 | D357 N377 I547 M556 T557 | D357-S777 WeakPolarHBondContact OD2-CA 3.13Å; D357-S777 VanDerWaalsContact OD2-CB 3.31Å; D357-S777 WeakPolarHBondContact OD2-CB 3.26Å; D357-S777 PolarHBondContact OD2-N 2.88Å; N377-S777 PolarHBondContact ND2-OG 3.45Å; N377-S777 PolarHBondContact OD1-OG 3.3Å; I547-S777 VanDerWaalsContact CD1-OG 3.26Å; I547-S777 WeakPolarHBondContact CD1-OG 3.45Å; M556-S777 CarbonylContact C-O 3.16Å; M556-S777 VanDerWaalsContact CA-O 3.22Å; M556-S777 WeakPolarHBondContact CA-O 3.17Å; T557-S777 PolarHBondContact N-O 2.92Å | ||
| 778 | T | 94.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 5 Ų | 5 | 1% | 0.006 | 3% | 0.025 | C | C | . | . | B | Isolated β-bridge | trans | -116.8 | 136.4 | -175.4 | 84.6 | 0 | 0 | 0 | 0 | 113.9 | P355 D357 T557 I776 H780 S781 Y782 | P355-T778 HydrophobicContact CG-CG2 4.14Å; D357-T778 PolarHBondContact OD2-N 2.71Å; T557-T778 HydrophobicContact CG2-CG2 4.17Å; I776-T778 WeakPolarHBondContact CG2-O 3.45Å; T778-H780 PolarHBondContact O-N 3Å; T778-S781 PolarHBondContact O-N 3.22Å; T778-S781 PolarHBondContact OG1-N 3.28Å; T778-S781 PolarHBondContact OG1-OG 3.15Å; T778-Y782 PolarHBondContact O-N 2.95Å; T778-Y782 VanDerWaalsContact O-N 3.14Å |
| 779 | L | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 1% | 0.005 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.8 | -30.5 | 172.7 | -176.3 | 67.1 | 0 | 0 | 0 | 111.4 | T557 L558 C560 P584 I719 I767 M771 S781 Y782 K783 | T557-L779 PolarHBondContact O-N 2.84Å; L558-L779 HydrophobicContact CB-CD2 4.26Å; L558-L779 HydrophobicContact CD2-CB 4.15Å; L558-L779 HydrophobicContact CD2-CD1 4.37Å; L558-L779 HydrophobicContact CD2-CD2 4.41Å; L558-L779 VanDerWaalsContact O-CD2 3.27Å; L558-L779 WeakPolarHBondContact O-CD2 3.44Å; C560-L779 HydrophobicContact CB-CD2 4.37Å; P584-L779 HydrophobicContact CB-CD2 4.03Å; P584-L779 HydrophobicContact CG-CD2 3.7Å; I719-L779 HydrophobicContact CD1-CD1 4.29Å; I719-L779 HydrophobicContact CG2-CD1 3.67Å; I767-L779 HydrophobicContact CG2-CD1 4.32Å; M771-L779 HydrophobicContact CE-CB 4.36Å; M771-L779 VanDerWaalsContact CE-N 3.27Å; M771-L779 HydrophobicContact SD-CB 4.33Å; M771-L779 HydrophobicContact SD-CD1 4Å; L779-S781 VanDerWaalsContact C-N 3.3Å; L779-S781 PolarHBondContact O-N 3.46Å; L779-Y782 HydrophobicContact CD1-CD1 4.29Å; L779-Y782 PolarHBondContact O-N 3.04Å; L779-K783 WeakPolarHBondContact O-CG 3.34Å; L779-K783 PolarHBondContact O-N 2.85Å |
| 780 | H | 93.4 | Very high | 94 | Very high | 11 Ų | 11 | 3.5 Ų | 3.5 | 5% | 0.051 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 179.6 | -163.3 | -168.3 | 0 | 0 | 0 | 111.9 | A350 T778 | A350-H780 PolarHBondContact O-CE1 3.15Å; T778-H780 PolarHBondContact O-N 3Å |
| 781 | S | 93.5 | Very high | 94 | Very high | 1 Ų | 1 | 3.4 Ų | 3.4 | 1% | 0.007 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -81.4 | -27.8 | 175.2 | -45.3 | 0 | 0 | 0 | 0 | 113.3 | P355 T778 L779 A785 | P355-S781 WeakPolarHBondContact CD-OG 3.12Å; P355-S781 WeakPolarHBondContact O-CB 3.11Å; P355-S781 PolarHBondContact O-OG 2.82Å; T778-S781 PolarHBondContact O-N 3.22Å; T778-S781 PolarHBondContact OG1-N 3.28Å; T778-S781 PolarHBondContact OG1-OG 3.15Å; L779-S781 VanDerWaalsContact C-N 3.3Å; L779-S781 PolarHBondContact O-N 3.46Å; S781-A785 WeakPolarHBondContact O-CB 3.36Å |
| 782 | Y | 95.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 3.4 Ų | 3.4 | 0% | 0.004 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -69.6 | -34.3 | 177.5 | -175.1 | -96.3 | 0 | 0 | 0 | 112.9 | I719 M771 I776 T778 L779 S784 A785 I787 F788 | I719-Y782 HydrophobicContact CG2-CD1 3.82Å; I719-Y782 HydrophobicContact CG2-CE1 4.22Å; M771-Y782 HydrophobicContact CB-CD2 4.39Å; M771-Y782 HydrophobicContact CG-CD1 4.24Å; M771-Y782 HydrophobicContact CG-CD2 3.7Å; M771-Y782 HydrophobicContact CG-CE2 4.13Å; M771-Y782 HydrophobicContact CG-CG 3.77Å; I776-Y782 HydrophobicContact CD1-CD2 3.83Å; T778-Y782 PolarHBondContact O-N 2.95Å; T778-Y782 VanDerWaalsContact O-N 3.14Å; L779-Y782 HydrophobicContact CD1-CD1 4.29Å; L779-Y782 PolarHBondContact O-N 3.04Å; Y782-S784 PolarHBondContact O-N 2.95Å; Y782-A785 VanDerWaalsContact O-CB 3.3Å; Y782-A785 WeakPolarHBondContact O-CB 3.42Å; Y782-A785 PolarHBondContact O-N 3.34Å; Y782-A785 VanDerWaalsContact O-N 3.1Å; Y782-I787 HydrophobicContact CD2-CG1 4.08Å; Y782-I787 HydrophobicContact CE2-CB 3.94Å; Y782-I787 HydrophobicContact CE2-CG1 3.86Å; Y782-F788 WeakPolarHBondContact OH-CE2 3.38Å; Y782-F788 WeakPolarHBondContact OH-CZ 3.48Å |
| 783 | K | 92.4 | Very high | 94 | Very high | 3 Ų | 3 | 3.3 Ų | 3.3 | 1% | 0.013 | 2% | 0.017 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 131.8 | 176.9 | -82.9 | 179.2 | 160.4 | -173.1 | 0 | 111 | Y266 C560 I719 D724 L779 A785 | Y266-K783 WeakPolarHBondContact OH-CB 3.47Å; Y266-K783 PolarHBondContact OH-O 3.23Å; C560-K783 PolarHBondContact SG-NZ 3.17Å; I719-K783 HydrophobicContact CG2-CG 3.67Å; D724-K783 VanDerWaalsContact CA-NZ 3.25Å; D724-K783 WeakPolarHBondContact O-CE 3.39Å; D724-K783 PolarHBondContact O-NZ 3.38Å; D724-K783 IonicContact OD1-NZ 3.69Å; D724-K783 PolarHBondContact OD1-NZ 3.25Å; L779-K783 WeakPolarHBondContact O-CG 3.34Å; L779-K783 PolarHBondContact O-N 2.85Å; K783-A785 PolarHBondContact O-N 2.63Å; K783-A785 VanDerWaalsContact O-N 3.09Å |
| 784 | S | 90.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 4.4 | -179.3 | -172 | 0 | 0 | 0 | 0 | 115.3 | Y266 H688 I719 G720 Y782 Q786 | Y266-S784 VanDerWaalsContact OH-CB 3.3Å; Y266-S784 WeakPolarHBondContact OH-CB 2.98Å; H688-S784 PolarHBondContact CE1-OG 3.27Å; H688-S784 VanDerWaalsContact CE1-OG 3.23Å; H688-S784 PolarHBondContact NE2-OG 2.84Å; I719-S784 PolarHBondContact O-N 3.47Å; G720-S784 CarbonylContact O-C 3.46Å; G720-S784 WeakPolarHBondContact O-CA 3.34Å; G720-S784 PolarHBondContact O-N 3.17Å; Y782-S784 PolarHBondContact O-N 2.95Å; S784-Q786 VanDerWaalsContact C-N 3.27Å; S784-Q786 PolarHBondContact O-N 3.44Å |
| 785 | A | 91.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.008 | 4% | 0.038 | C | C | . | . | trans | -76.8 | -14 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S781 Y782 K783 I787 | S781-A785 WeakPolarHBondContact O-CB 3.36Å; Y782-A785 VanDerWaalsContact O-CB 3.3Å; Y782-A785 WeakPolarHBondContact O-CB 3.42Å; Y782-A785 PolarHBondContact O-N 3.34Å; Y782-A785 VanDerWaalsContact O-N 3.1Å; K783-A785 PolarHBondContact O-N 2.63Å; K783-A785 VanDerWaalsContact O-N 3.09Å; A785-I787 HydrophobicContact CB-CD1 3.76Å; A785-I787 HydrophobicContact CB-CG1 3.89Å; A785-I787 PolarHBondContact O-N 2.82Å | ||
| 786 | Q | 93.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | trans | 54 | 50.4 | 176.3 | -53.5 | 175.9 | -9.8 | 0 | 0 | 112.9 | G720 F721 S784 F788 C803 | G720-Q786 PolarHBondContact O-N 2.9Å; F721-Q786 HydrophobicContact CD1-CG 3.9Å; F721-Q786 HydrophobicContact CE1-CB 4.05Å; F721-Q786 HydrophobicContact CE1-CG 3.8Å; S784-Q786 VanDerWaalsContact C-N 3.27Å; S784-Q786 PolarHBondContact O-N 3.44Å; Q786-F788 PolarHBondContact O-N 2.89Å; Q786-C803 PolarHBondContact NE2-O 3.24Å; Q786-C803 PolarHBondContact OE1-O 2.64Å | ||
| 787 | I | 94.7 | Very high | 94.4 | Very high | 15 Ų | 15 | 10 Ų | 10 | 8% | 0.077 | 6% | 0.057 | C | C | . | . | trans | -76.3 | 53.3 | -179 | -48.8 | -60.6 | 0 | 0 | 0 | 110.7 | L538 M774 I776 Y782 A785 | L538-I787 HydrophobicContact CB-CG2 3.86Å; L538-I787 PolarHBondContact N-O 2.95Å; M774-I787 HydrophobicContact CB-CG2 3.96Å; M774-I787 HydrophobicContact CE-CG2 4.05Å; M774-I787 HydrophobicContact CG-CG2 4Å; I776-I787 HydrophobicContact CD1-CD1 3.97Å; I776-I787 HydrophobicContact CD1-CG1 3.81Å; Y782-I787 HydrophobicContact CD2-CG1 4.08Å; Y782-I787 HydrophobicContact CE2-CB 3.94Å; Y782-I787 HydrophobicContact CE2-CG1 3.86Å; A785-I787 HydrophobicContact CB-CD1 3.76Å; A785-I787 HydrophobicContact CB-CG1 3.89Å; A785-I787 PolarHBondContact O-N 2.82Å | ||
| 788 | F | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 10 Ų | 10 | 0% | 0.004 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 149 | -175.5 | -58.1 | -81.6 | 0 | 0 | 0 | 111.4 | F535 Q536 Q537 H713 C716 T717 F721 Y782 Q786 | F535-F788 HydrophobicContact CB-CB 4.19Å; F535-F788 HydrophobicContact CB-CD1 4.24Å; F535-F788 HydrophobicContact CB-CG 4.4Å; F535-F788 HydrophobicContact CD1-CB 3.95Å; F535-F788 HydrophobicContact CG-CB 4.48Å; Q536-F788 CarbonylContact O-C 3.52Å; Q536-F788 WeakPolarHBondContact O-CA 3.36Å; Q537-F788 HydrophobicContact CG-CD1 4.14Å; Q537-F788 HydrophobicContact CG-CE1 3.71Å; H713-F788 AromaticContact CE1-CD1 3.87Å; H713-F788 AromaticContact CE1-CE1 3.57Å; H713-F788 AromaticContact ND1-CE1 3.88Å; C716-F788 HydrophobicContact CB-CZ 3.91Å; T717-F788 HydrophobicContact CG2-CD1 3.88Å; T717-F788 HydrophobicContact CG2-CD2 4.39Å; T717-F788 HydrophobicContact CG2-CE1 3.54Å; T717-F788 HydrophobicContact CG2-CE2 4.11Å; T717-F788 HydrophobicContact CG2-CG 4.3Å; T717-F788 HydrophobicContact CG2-CZ 3.67Å; F721-F788 HydrophobicContact CE2-CB 4.43Å; F721-F788 AromaticContact CE2-CD2 3.92Å; F721-F788 HydrophobicContact CE2-CD2 3.92Å; F721-F788 HydrophobicContact CE2-CG 4.37Å; F721-F788 HydrophobicContact CZ-CB 4.32Å; F721-F788 HydrophobicContact CZ-CD2 4.3Å; Y782-F788 WeakPolarHBondContact OH-CE2 3.38Å; Y782-F788 WeakPolarHBondContact OH-CZ 3.48Å; Q786-F788 PolarHBondContact O-N 2.89Å |
| 789 | E | 95 | Very high | 94.6 | Very high | 2 Ų | 2 | 13.9 Ų | 13.9 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 135.9 | 164 | 179.2 | 172.3 | 166.4 | 0 | 0 | 110.4 | F535 Q536 L538 V806 R808 I1075 L1114 | F535-E789 CarbonylContact C-O 3.2Å; F535-E789 WeakPolarHBondContact CA-O 3.37Å; Q536-E789 PolarHBondContact N-O 2.85Å; Q536-E789 PolarHBondContact O-N 3.42Å; L538-E789 HydrophobicContact CD2-CB 4.09Å; E789-V806 HydrophobicContact CG-CB 4.23Å; E789-V806 HydrophobicContact CG-CG1 4.27Å; E789-R808 VanDerWaalsContact CD-NH2 3.27Å; E789-R808 IonicContact OE1-CZ 3.83Å; E789-R808 IonicContact OE1-NE 2.65Å; E789-R808 PolarHBondContact OE1-NE 2.88Å; E789-R808 IonicContact OE1-NH2 3.92Å; E789-R808 PolarHBondContact OE1-NH2 2.66Å; E789-R808 IonicContact OE2-CZ 2.69Å; E789-R808 IonicContact OE2-NE 2.91Å; E789-R808 IonicContact OE2-NH2 3.48Å; E789-R808 PolarHBondContact OE2-NH2 3.32Å; E789-I1075 VanDerWaalsContact OE2-CB 3.25Å; E789-I1075 WeakPolarHBondContact OE2-CB 3.05Å; E789-I1075 PolarHBondContact OE2-N 3.13Å; E789-L1114 VanDerWaalsContact CD-CD1 3.42Å; E789-L1114 HydrophobicContact CG-CD1 4.43Å; E789-L1114 WeakPolarHBondContact OE2-CD1 3.41Å |
| 790 | A | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y534 F535 L793 I798 V806 S807 | Y534-A790 CarbonylContact O-C 3.29Å; Y534-A790 WeakPolarHBondContact O-CA 3.35Å; F535-A790 HydrophobicContact CD1-CB 4.05Å; F535-A790 HydrophobicContact CE1-CB 3.78Å; F535-A790 HydrophobicContact CZ-CB 4.42Å; A790-L793 HydrophobicContact CB-CB 4.37Å; A790-L793 HydrophobicContact CB-CD1 4.07Å; A790-L793 HydrophobicContact CB-CG 4.49Å; A790-I798 HydrophobicContact CB-CD1 3.77Å; A790-V806 WeakPolarHBondContact CB-O 3.43Å; A790-V806 PolarHBondContact N-O 2.98Å; A790-S807 VanDerWaalsContact O-CA 3.3Å; A790-S807 WeakPolarHBondContact O-CA 3.3Å; A790-S807 WeakPolarHBondContact O-CB 3.42Å; A790-S807 PolarHBondContact O-OG 3.17Å |
| 791 | V | 94.9 | Very high | 94.7 | Very high | 5 Ų | 5 | 14 Ų | 14 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -101.7 | 101.8 | 175.1 | -173.5 | 0 | 0 | 0 | 0 | 109.3 | L521 Y534 Q536 V809 L1114 | L521-V791 HydrophobicContact CD1-CG1 4.2Å; Y534-V791 WeakPolarHBondContact CD1-O 3.45Å; Y534-V791 PolarHBondContact O-N 3.26Å; Q536-V791 HydrophobicContact CG-CG2 3.96Å; V791-V809 HydrophobicContact CG1-CG2 4.43Å; V791-L1114 HydrophobicContact CG2-CD2 3.33Å |
| 792 | G | 93.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 95.4 | 26.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y534 G810 G811 A812 | Y534-G792 WeakPolarHBondContact CE1-O 3.25Å; G792-G810 CarbonylContact C-O 3.57Å; G792-G810 WeakPolarHBondContact CA-O 3.48Å; G792-G811 CarbonylContact O-C 3.5Å; G792-G811 WeakPolarHBondContact O-CA 3.19Å; G792-A812 PolarHBondContact O-N 2.97Å |
| 793 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | B | Isolated β-bridge | trans | -103.8 | 141.9 | 169.3 | -72.2 | 177 | 0 | 0 | 0 | 110 | Y534 F535 A790 I798 S807 G810 A812 L817 | Y534-L793 HydrophobicContact CD1-CD2 3.74Å; Y534-L793 HydrophobicContact CD1-CG 3.85Å; Y534-L793 HydrophobicContact CD2-CD2 4.31Å; Y534-L793 HydrophobicContact CE1-CD2 4.17Å; Y534-L793 HydrophobicContact CG-CD1 4.43Å; Y534-L793 HydrophobicContact CG-CD2 3.81Å; Y534-L793 HydrophobicContact CG-CG 3.91Å; F535-L793 HydrophobicContact CE1-CD1 4.5Å; F535-L793 HydrophobicContact CE2-CD1 3.9Å; F535-L793 HydrophobicContact CZ-CD1 3.76Å; A790-L793 HydrophobicContact CB-CB 4.37Å; A790-L793 HydrophobicContact CB-CD1 4.07Å; A790-L793 HydrophobicContact CB-CG 4.49Å; L793-I798 HydrophobicContact CB-CD1 4.23Å; L793-I798 HydrophobicContact CD1-CD1 4.36Å; L793-S807 PolarHBondContact O-OG 3.22Å; L793-S807 VanDerWaalsContact O-OG 3.12Å; L793-G810 CarbonylContact O-C 3.46Å; L793-G810 WeakPolarHBondContact O-CA 3.49Å; L793-A812 HydrophobicContact CD2-CB 4.37Å; L793-L817 HydrophobicContact CD2-CD1 4.27Å; L793-L817 HydrophobicContact CD2-CD2 4.34Å |
| 794 | A | 96 | Very high | 94.4 | Very high | 15 Ų | 15 | 18.1 Ų | 18.1 | 12% | 0.124 | 11% | 0.114 | C | C | . | . | trans | -67.1 | 146.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S796 V797 I798 A812 D813 | A794-S796 PolarHBondContact O-N 3.36Å; A794-S796 VanDerWaalsContact O-N 3.16Å; A794-V797 HydrophobicContact CB-CG2 4.41Å; A794-V797 WeakPolarHBondContact O-CB 3.39Å; A794-V797 PolarHBondContact O-N 2.86Å; A794-I798 PolarHBondContact O-N 3.05Å; A794-A812 PolarHBondContact N-O 3.07Å; A794-D813 HydrophobicContact CB-CB 4.03Å | ||
| 795 | Q | 93.9 | Very high | 94.4 | Very high | 91 Ų | 91 | 18.4 Ų | 18.4 | 43% | 0.425 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -56.8 | -33.6 | 177.9 | -168.8 | 62 | 46.8 | 0 | 0 | 112.3 | V797 I798 D799 | Q795-V797 VanDerWaalsContact C-N 3.27Å; Q795-V797 PolarHBondContact O-N 3Å; Q795-I798 WeakPolarHBondContact O-CB 3.36Å; Q795-I798 PolarHBondContact O-N 2.82Å; Q795-I798 VanDerWaalsContact O-N 3.16Å; Q795-D799 PolarHBondContact NE2-OD1 3.12Å; Q795-D799 WeakPolarHBondContact O-CB 3.4Å; Q795-D799 PolarHBondContact O-N 3.28Å |
| 796 | S | 94.9 | Very high | 94.3 | Very high | 61 Ų | 61 | 19.5 Ų | 19.5 | 43% | 0.427 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61 | -33.4 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | A794 M800 | A794-S796 PolarHBondContact O-N 3.36Å; A794-S796 VanDerWaalsContact O-N 3.16Å; S796-M800 WeakPolarHBondContact O-CB 3.46Å; S796-M800 PolarHBondContact O-N 3.46Å |
| 797 | V | 97.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.9 | -42.6 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | L682 A794 Q795 M800 C801 F802 F814 L817 | L682-V797 HydrophobicContact CD2-CG1 3.81Å; A794-V797 HydrophobicContact CB-CG2 4.41Å; A794-V797 WeakPolarHBondContact O-CB 3.39Å; A794-V797 PolarHBondContact O-N 2.86Å; Q795-V797 VanDerWaalsContact C-N 3.27Å; Q795-V797 PolarHBondContact O-N 3Å; V797-M800 PolarHBondContact O-N 2.91Å; V797-C801 WeakPolarHBondContact O-CB 3.34Å; V797-C801 PolarHBondContact O-N 3.38Å; V797-F802 HydrophobicContact CG1-CD2 4.44Å; V797-F802 HydrophobicContact CG1-CE2 4.2Å; V797-F814 HydrophobicContact CB-CE2 4.36Å; V797-F814 HydrophobicContact CB-CZ 4.16Å; V797-F814 HydrophobicContact CG1-CE1 4.32Å; V797-F814 HydrophobicContact CG1-CZ 4.28Å; V797-F814 HydrophobicContact CG2-CD1 4.27Å; V797-F814 HydrophobicContact CG2-CD2 3.96Å; V797-F814 HydrophobicContact CG2-CE1 4.14Å; V797-F814 HydrophobicContact CG2-CE2 3.81Å; V797-F814 HydrophobicContact CG2-CG 4.19Å; V797-F814 HydrophobicContact CG2-CZ 3.91Å; V797-L817 HydrophobicContact CG1-CD1 4.07Å; V797-L817 HydrophobicContact CG2-CD1 4.15Å |
| 798 | I | 96.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 175.8 | -60.5 | -61.5 | 0 | 0 | 0 | 110.7 | A790 L793 A794 Q795 M800 C801 F802 C803 A805 | A790-I798 HydrophobicContact CB-CD1 3.77Å; L793-I798 HydrophobicContact CB-CD1 4.23Å; L793-I798 HydrophobicContact CD1-CD1 4.36Å; A794-I798 PolarHBondContact O-N 3.05Å; Q795-I798 WeakPolarHBondContact O-CB 3.36Å; Q795-I798 PolarHBondContact O-N 2.82Å; Q795-I798 VanDerWaalsContact O-N 3.16Å; I798-M800 VanDerWaalsContact C-N 3.26Å; I798-M800 PolarHBondContact O-N 3.43Å; I798-C801 PolarHBondContact O-N 3.29Å; I798-F802 HydrophobicContact CD1-CB 4.29Å; I798-F802 HydrophobicContact CD1-CD2 4.32Å; I798-F802 CarbonylContact O-C 3.45Å; I798-F802 WeakPolarHBondContact O-CA 3.29Å; I798-F802 PolarHBondContact O-N 3.13Å; I798-C803 WeakPolarHBondContact O-CA 3.42Å; I798-C803 PolarHBondContact O-N 2.79Å; I798-A805 HydrophobicContact CD1-CB 4.47Å; I798-A805 WeakPolarHBondContact CG2-O 3.45Å |
| 799 | D | 95.1 | Very high | 93.9 | Very high | 81 Ų | 81 | 19.9 Ų | 19.9 | 43% | 0.433 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.8 | -32.7 | -176.5 | -66.5 | -17.5 | 0 | 0 | 0 | 112.9 | Q795 | Q795-D799 PolarHBondContact NE2-OD1 3.12Å; Q795-D799 WeakPolarHBondContact O-CB 3.4Å; Q795-D799 PolarHBondContact O-N 3.28Å |
| 800 | M | 95.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 20.6 Ų | 20.6 | 7% | 0.069 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -78.7 | -51.1 | 178.5 | -177 | 58.3 | -179.3 | 0 | 0 | 112 | F642 L645 L646 A686 R693 S796 V797 I798 F814 | F642-M800 HydrophobicContact CD2-CG 4.32Å; F642-M800 HydrophobicContact CE2-CB 4.16Å; F642-M800 HydrophobicContact CE2-CG 3.9Å; F642-M800 HydrophobicContact CE2-SD 4.08Å; L645-M800 HydrophobicContact CB-CE 3.89Å; L646-M800 HydrophobicContact CD2-CE 3.68Å; L646-M800 HydrophobicContact CD2-SD 4.23Å; L646-M800 HydrophobicContact CG-CE 3.87Å; A686-M800 HydrophobicContact CB-CE 4.38Å; R693-M800 PolarHBondContact NH2-O 3.35Å; S796-M800 WeakPolarHBondContact O-CB 3.46Å; S796-M800 PolarHBondContact O-N 3.46Å; V797-M800 PolarHBondContact O-N 2.91Å; I798-M800 VanDerWaalsContact C-N 3.26Å; I798-M800 PolarHBondContact O-N 3.43Å; M800-F814 HydrophobicContact CB-CZ 4Å; M800-F814 HydrophobicContact CG-CZ 4.18Å |
| 801 | C | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -106.9 | -28.7 | -166 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | L682 G685 Q689 V797 I798 | L682-C801 HydrophobicContact CD2-CB 4.23Å; G685-C801 CarbonylContact C-O 3.36Å; G685-C801 WeakPolarHBondContact CA-O 3.29Å; G685-C801 VanDerWaalsContact O-O 3.09Å; Q689-C801 WeakPolarHBondContact CG-O 3.41Å; V797-C801 WeakPolarHBondContact O-CB 3.34Å; V797-C801 PolarHBondContact O-N 3.38Å; I798-C801 PolarHBondContact O-N 3.29Å |
| 802 | F | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -136.9 | 33.8 | -166.6 | -48.8 | -61.8 | 0 | 0 | 0 | 112.5 | V531 F535 L681 L682 F721 V797 I798 G804 A805 | V531-F802 HydrophobicContact CG1-CE2 4.48Å; V531-F802 HydrophobicContact CG1-CZ 4.39Å; F535-F802 HydrophobicContact CE1-CD2 4.49Å; F535-F802 HydrophobicContact CE1-CG 4.44Å; F535-F802 HydrophobicContact CE2-CD2 4.46Å; F535-F802 HydrophobicContact CE2-CE2 4.08Å; F535-F802 HydrophobicContact CE2-CZ 4.14Å; F535-F802 HydrophobicContact CZ-CD1 4.15Å; F535-F802 AromaticContact CZ-CD2 3.62Å; F535-F802 HydrophobicContact CZ-CD2 3.62Å; F535-F802 HydrophobicContact CZ-CE1 4.24Å; F535-F802 AromaticContact CZ-CE2 3.68Å; F535-F802 HydrophobicContact CZ-CE2 3.68Å; F535-F802 AromaticContact CZ-CG 3.84Å; F535-F802 HydrophobicContact CZ-CG 3.84Å; F535-F802 AromaticContact CZ-CZ 4Å; F535-F802 HydrophobicContact CZ-CZ 4Å; L681-F802 HydrophobicContact CD1-CE1 4.16Å; L681-F802 HydrophobicContact CD2-CE1 4.44Å; L681-F802 HydrophobicContact CD2-CZ 4.3Å; L681-F802 HydrophobicContact CG-CE1 3.81Å; L681-F802 HydrophobicContact CG-CZ 3.84Å; L681-F802 WeakPolarHBondContact O-CE1 3.46Å; L682-F802 HydrophobicContact CD2-CE2 3.59Å; L682-F802 HydrophobicContact CD2-CZ 3.73Å; F721-F802 HydrophobicContact CB-CD1 4.33Å; F721-F802 HydrophobicContact CB-CE1 4.48Å; F721-F802 HydrophobicContact CD1-CB 4.22Å; F721-F802 AromaticContact CD1-CD1 3.52Å; F721-F802 HydrophobicContact CD1-CD1 3.52Å; F721-F802 HydrophobicContact CD1-CE1 4.37Å; F721-F802 HydrophobicContact CD1-CG 4.29Å; F721-F802 HydrophobicContact CD2-CD1 4.15Å; F721-F802 HydrophobicContact CD2-CE1 4.31Å; F721-F802 HydrophobicContact CE1-CB 3.82Å; F721-F802 AromaticContact CE1-CD1 3.77Å; F721-F802 HydrophobicContact CE1-CD1 3.77Å; F721-F802 HydrophobicContact CE1-CG 4.13Å; F721-F802 HydrophobicContact CE2-CD1 4.36Å; F721-F802 AromaticContact CG-CD1 3.74Å; F721-F802 HydrophobicContact CG-CD1 3.74Å; F721-F802 HydrophobicContact CG-CE1 4.13Å; F721-F802 HydrophobicContact CZ-CB 4.44Å; F721-F802 HydrophobicContact CZ-CD1 4.19Å; F721-F802 HydrophobicContact CZ-CG 4.49Å; V797-F802 HydrophobicContact CG1-CD2 4.44Å; V797-F802 HydrophobicContact CG1-CE2 4.2Å; I798-F802 HydrophobicContact CD1-CB 4.29Å; I798-F802 HydrophobicContact CD1-CD2 4.32Å; I798-F802 CarbonylContact O-C 3.45Å; I798-F802 WeakPolarHBondContact O-CA 3.29Å; I798-F802 PolarHBondContact O-N 3.13Å; F802-G804 PolarHBondContact O-N 2.76Å; F802-A805 HydrophobicContact CB-CB 4.09Å; F802-A805 VanDerWaalsContact O-CB 3.24Å; F802-A805 WeakPolarHBondContact O-CB 3.24Å; F802-A805 PolarHBondContact O-N 3.22Å |
| 803 | C | 91.2 | Very high | 93.7 | Very high | 51 Ų | 51 | 23 Ų | 23 | 35% | 0.345 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 126.2 | -174.9 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | Q689 Q786 I798 | Q689-C803 HydrophobicContact CG-CB 4.31Å; Q786-C803 PolarHBondContact NE2-O 3.24Å; Q786-C803 PolarHBondContact OE1-O 2.64Å; I798-C803 WeakPolarHBondContact O-CA 3.42Å; I798-C803 PolarHBondContact O-N 2.79Å |
| 804 | G | 85.8 | Confident | 93.7 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | -20 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R261 F802 | R261-G804 PolarHBondContact NH1-O 3.1Å; R261-G804 VanDerWaalsContact NH1-O 3.08Å; F802-G804 PolarHBondContact O-N 2.76Å |
| 805 | A | 91 | Very high | 93.6 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 5% | 0.05 | 16% | 0.16 | C | C | . | . | trans | -70.7 | 141.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F721 I798 F802 | F721-A805 HydrophobicContact CE1-CB 4.12Å; F721-A805 HydrophobicContact CZ-CB 4.3Å; I798-A805 HydrophobicContact CD1-CB 4.47Å; I798-A805 WeakPolarHBondContact CG2-O 3.45Å; F802-A805 HydrophobicContact CB-CB 4.09Å; F802-A805 VanDerWaalsContact O-CB 3.24Å; F802-A805 WeakPolarHBondContact O-CB 3.24Å; F802-A805 PolarHBondContact O-N 3.22Å | ||
| 806 | V | 90.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 22.4 Ų | 22.4 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -81.2 | 135.7 | -179.9 | 177 | 0 | 0 | 0 | 0 | 109.7 | E789 A790 R808 I1075 | E789-V806 HydrophobicContact CG-CB 4.23Å; E789-V806 HydrophobicContact CG-CG1 4.27Å; A790-V806 WeakPolarHBondContact CB-O 3.43Å; A790-V806 PolarHBondContact N-O 2.98Å; V806-R808 HydrophobicContact CG1-CG 3.8Å; V806-I1075 HydrophobicContact CG1-CD1 4.22Å; V806-I1075 HydrophobicContact CG1-CG1 4.26Å; V806-I1075 HydrophobicContact CG2-CG1 4.39Å |
| 807 | S | 93 | Very high | 93.5 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | trans | -144 | 92.9 | 167.9 | -156.5 | 0 | 0 | 0 | 0 | 112 | A790 L793 | A790-S807 VanDerWaalsContact O-CA 3.3Å; A790-S807 WeakPolarHBondContact O-CA 3.3Å; A790-S807 WeakPolarHBondContact O-CB 3.42Å; A790-S807 PolarHBondContact O-OG 3.17Å; L793-S807 PolarHBondContact O-OG 3.22Å; L793-S807 VanDerWaalsContact O-OG 3.12Å | ||
| 808 | R | 90.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 4% | 0.038 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -75.1 | -31.5 | -167.2 | -70.3 | 179.3 | -77.4 | -173.9 | -14.1 | 114.9 | L14 E789 V806 E1122 | L14-R808 HydrophobicContact CD2-CB 4.18Å; L14-R808 HydrophobicContact CD2-CG 4.49Å; E789-R808 VanDerWaalsContact CD-NH2 3.27Å; E789-R808 IonicContact OE1-CZ 3.83Å; E789-R808 IonicContact OE1-NE 2.65Å; E789-R808 PolarHBondContact OE1-NE 2.88Å; E789-R808 IonicContact OE1-NH2 3.92Å; E789-R808 PolarHBondContact OE1-NH2 2.66Å; E789-R808 IonicContact OE2-CZ 2.69Å; E789-R808 IonicContact OE2-NE 2.91Å; E789-R808 IonicContact OE2-NH2 3.48Å; E789-R808 PolarHBondContact OE2-NH2 3.32Å; V806-R808 HydrophobicContact CG1-CG 3.8Å; R808-E1122 IonicContact CZ-OE2 2.64Å; R808-E1122 IonicContact NH1-OE2 2.72Å; R808-E1122 PolarHBondContact NH1-OE2 2.9Å |
| 809 | V | 92.2 | Very high | 92.9 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -98.5 | -9.6 | -172.7 | -64 | 0 | 0 | 0 | 0 | 113.2 | V791 L1118 I1253 D1254 | V791-V809 HydrophobicContact CG1-CG2 4.43Å; V809-L1118 HydrophobicContact CG1-CD2 3.81Å; V809-I1253 HydrophobicContact CB-CG2 3.93Å; V809-I1253 HydrophobicContact CG2-CG2 4.44Å; V809-D1254 PolarHBondContact O-N 3.28Å |
| 810 | G | 91.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 19% | 0.186 | 12% | 0.117 | C | C | . | . | trans | 57.3 | -179.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G792 L793 | G792-G810 CarbonylContact C-O 3.57Å; G792-G810 WeakPolarHBondContact CA-O 3.48Å; L793-G810 CarbonylContact O-C 3.46Å; L793-G810 WeakPolarHBondContact O-CA 3.49Å | ||
| 811 | G | 94.4 | Very high | 92.4 | Very high | 5 Ų | 5 | 19.2 Ų | 19.2 | 5% | 0.052 | 12% | 0.116 | C | C | . | . | trans | 159.4 | -124.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | G792 D813 L1252 | G792-G811 CarbonylContact O-C 3.5Å; G792-G811 WeakPolarHBondContact O-CA 3.19Å; G811-D813 PolarHBondContact O-N 3.05Å; G811-L1252 WeakPolarHBondContact O-CB 3.27Å | ||
| 812 | A | 95.1 | Very high | 92 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -54.4 | 120.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y534 G792 L793 A794 I816 L817 | Y534-A812 HydrophobicContact CE1-CB 3.93Å; G792-A812 PolarHBondContact O-N 2.97Å; L793-A812 HydrophobicContact CD2-CB 4.37Å; A794-A812 PolarHBondContact N-O 3.07Å; A812-I816 HydrophobicContact CB-CB 3.98Å; A812-I816 HydrophobicContact CB-CG2 3.67Å; A812-L817 HydrophobicContact CB-CD2 4.3Å |
| 813 | D | 95.9 | Very high | 91.4 | Very high | 49 Ų | 49 | 21 Ų | 21 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | trans | -93.6 | -177.3 | 174.2 | 62.4 | 11.9 | 0 | 0 | 0 | 110.8 | A794 G811 E815 I816 L817 | A794-D813 HydrophobicContact CB-CB 4.03Å; G811-D813 PolarHBondContact O-N 3.05Å; D813-E815 PolarHBondContact O-N 2.82Å; D813-E815 WeakPolarHBondContact OD1-CB 3.42Å; D813-E815 PolarHBondContact OD1-N 3.02Å; D813-I816 PolarHBondContact O-N 3.12Å; D813-I816 WeakPolarHBondContact OD1-CG1 3.22Å; D813-I816 PolarHBondContact OD1-N 3.31Å; D813-L817 WeakPolarHBondContact O-CG 3.45Å; D813-L817 PolarHBondContact O-N 3.31Å; D813-L817 VanDerWaalsContact O-N 3.07Å | ||
| 814 | F | 95.5 | Very high | 91.1 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 7% | 0.066 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.4 | -26.3 | 178.3 | -69.9 | -72.5 | 0 | 0 | 0 | 113.3 | G638 L641 F642 L645 V797 M800 A818 | G638-F814 VanDerWaalsContact CA-O 3.31Å; G638-F814 WeakPolarHBondContact CA-O 3.35Å; L641-F814 HydrophobicContact CD2-CD1 4.05Å; L641-F814 HydrophobicContact CG-CD1 4.2Å; F642-F814 HydrophobicContact CB-CD2 4.31Å; F642-F814 HydrophobicContact CB-CG 4.33Å; F642-F814 AromaticContact CD2-CD2 3.85Å; F642-F814 HydrophobicContact CD2-CD2 3.85Å; F642-F814 HydrophobicContact CD2-CE1 4.47Å; F642-F814 AromaticContact CD2-CE2 3.43Å; F642-F814 HydrophobicContact CD2-CE2 3.43Å; F642-F814 VanDerWaalsContact CD2-CE2 3.43Å; F642-F814 AromaticContact CD2-CZ 3.78Å; F642-F814 HydrophobicContact CD2-CZ 3.78Å; F642-F814 HydrophobicContact CE2-CE2 4.01Å; F642-F814 HydrophobicContact CE2-CZ 4.39Å; F642-F814 HydrophobicContact CG-CD2 4.48Å; F642-F814 HydrophobicContact CG-CE2 4.44Å; L645-F814 HydrophobicContact CD1-CD1 4.35Å; L645-F814 HydrophobicContact CD1-CE1 3.66Å; L645-F814 HydrophobicContact CD1-CZ 4.44Å; V797-F814 HydrophobicContact CB-CE2 4.36Å; V797-F814 HydrophobicContact CB-CZ 4.16Å; V797-F814 HydrophobicContact CG1-CE1 4.32Å; V797-F814 HydrophobicContact CG1-CZ 4.28Å; V797-F814 HydrophobicContact CG2-CD1 4.27Å; V797-F814 HydrophobicContact CG2-CD2 3.96Å; V797-F814 HydrophobicContact CG2-CE1 4.14Å; V797-F814 HydrophobicContact CG2-CE2 3.81Å; V797-F814 HydrophobicContact CG2-CG 4.19Å; V797-F814 HydrophobicContact CG2-CZ 3.91Å; M800-F814 HydrophobicContact CB-CZ 4Å; M800-F814 HydrophobicContact CG-CZ 4.18Å; F814-A818 WeakPolarHBondContact O-CB 3.48Å; F814-A818 PolarHBondContact O-N 2.93Å |
| 815 | E | 93.5 | Very high | 91.2 | Very high | 70 Ų | 70 | 17.8 Ų | 17.8 | 33% | 0.327 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -70.7 | -45.1 | 178.2 | -167.2 | 63.8 | -148 | 0 | 0 | 111 | S636 L637 G638 D813 R819 | S636-E815 WeakPolarHBondContact CB-OE2 3.33Å; S636-E815 PolarHBondContact OG-OE2 2.73Å; L637-E815 PolarHBondContact N-OE2 2.82Å; G638-E815 VanDerWaalsContact CA-OE2 3.31Å; G638-E815 WeakPolarHBondContact CA-OE2 3.41Å; G638-E815 PolarHBondContact N-OE2 2.95Å; D813-E815 PolarHBondContact O-N 2.82Å; D813-E815 WeakPolarHBondContact OD1-CB 3.42Å; D813-E815 PolarHBondContact OD1-N 3.02Å; E815-R819 VanDerWaalsContact O-CB 3.28Å; E815-R819 WeakPolarHBondContact O-CB 3.21Å; E815-R819 PolarHBondContact O-N 3.21Å |
| 816 | I | 93.2 | Very high | 90.6 | Very high | 9 Ų | 9 | 20.9 Ų | 20.9 | 5% | 0.046 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 173.9 | -64.5 | -63.2 | 0 | 0 | 0 | 110.8 | A812 D813 R819 E820 A1248 K1249 L1252 | A812-I816 HydrophobicContact CB-CB 3.98Å; A812-I816 HydrophobicContact CB-CG2 3.67Å; D813-I816 PolarHBondContact O-N 3.12Å; D813-I816 WeakPolarHBondContact OD1-CG1 3.22Å; D813-I816 PolarHBondContact OD1-N 3.31Å; I816-R819 WeakPolarHBondContact O-CB 3.36Å; I816-R819 PolarHBondContact O-N 3.19Å; I816-E820 WeakPolarHBondContact O-CG 3.5Å; I816-E820 PolarHBondContact O-N 2.98Å; I816-A1248 HydrophobicContact CD1-CB 4.43Å; I816-K1249 HydrophobicContact CD1-CG 4.19Å; I816-K1249 HydrophobicContact CG2-CD 3.75Å; I816-K1249 HydrophobicContact CG2-CG 3.78Å; I816-L1252 HydrophobicContact CD1-CD1 4.13Å; I816-L1252 HydrophobicContact CG1-CD1 3.56Å |
| 817 | L | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.2 | -43.9 | -176.4 | -63.8 | 177.7 | 0 | 0 | 0 | 111.6 | V531 Y534 L641 L682 L793 V797 A812 D813 R819 E820 V821 | V531-L817 HydrophobicContact CG2-CD2 4.22Å; Y534-L817 HydrophobicContact CE2-CD2 4.4Å; L641-L817 HydrophobicContact CD2-CB 4.42Å; L682-L817 HydrophobicContact CD1-CD1 4.12Å; L682-L817 HydrophobicContact CD2-CD1 4.38Å; L793-L817 HydrophobicContact CD2-CD1 4.27Å; L793-L817 HydrophobicContact CD2-CD2 4.34Å; V797-L817 HydrophobicContact CG1-CD1 4.07Å; V797-L817 HydrophobicContact CG2-CD1 4.15Å; A812-L817 HydrophobicContact CB-CD2 4.3Å; D813-L817 WeakPolarHBondContact O-CG 3.45Å; D813-L817 PolarHBondContact O-N 3.31Å; D813-L817 VanDerWaalsContact O-N 3.07Å; L817-R819 VanDerWaalsContact C-N 3.29Å; L817-R819 PolarHBondContact O-N 3.31Å; L817-E820 PolarHBondContact O-N 3.15Å; L817-V821 WeakPolarHBondContact O-CG2 3.27Å; L817-V821 PolarHBondContact O-N 3.37Å |
| 818 | A | 91.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.1 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L637 L641 F814 T822 | L637-A818 HydrophobicContact CB-CB 4.14Å; L637-A818 HydrophobicContact CD2-CB 3.92Å; L641-A818 HydrophobicContact CB-CB 4.21Å; L641-A818 HydrophobicContact CD2-CB 3.97Å; F814-A818 WeakPolarHBondContact O-CB 3.48Å; F814-A818 PolarHBondContact O-N 2.93Å; A818-T822 WeakPolarHBondContact O-CB 3.38Å; A818-T822 PolarHBondContact O-N 3.23Å; A818-T822 PolarHBondContact O-OG1 3.32Å |
| 819 | R | 88.9 | Confident | 88.7 | Confident | 72 Ų | 72 | 23 Ų | 23 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -66 | -40 | 178 | -172.3 | -179 | 71.5 | -167.9 | 0.1 | 112.7 | E815 I816 L817 T822 S823 R2159 | E815-R819 VanDerWaalsContact O-CB 3.28Å; E815-R819 WeakPolarHBondContact O-CB 3.21Å; E815-R819 PolarHBondContact O-N 3.21Å; I816-R819 WeakPolarHBondContact O-CB 3.36Å; I816-R819 PolarHBondContact O-N 3.19Å; L817-R819 VanDerWaalsContact C-N 3.29Å; L817-R819 PolarHBondContact O-N 3.31Å; R819-T822 PolarHBondContact O-N 3.31Å; R819-S823 WeakPolarHBondContact O-CB 3.44Å; R819-S823 PolarHBondContact O-N 3.36Å; R819-R2159 VanDerWaalsContact NE-NH2 3.13Å |
| 820 | E | 90.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.023 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.8 | -43 | 178.7 | -74.4 | -179.7 | 166 | 0 | 0 | 111.9 | N528 I816 L817 S823 R824 K1249 | N528-E820 HydrophobicContact CB-CB 4.13Å; N528-E820 HydrophobicContact CB-CG 4.29Å; I816-E820 WeakPolarHBondContact O-CG 3.5Å; I816-E820 PolarHBondContact O-N 2.98Å; L817-E820 PolarHBondContact O-N 3.15Å; E820-S823 WeakPolarHBondContact O-CB 3.36Å; E820-S823 PolarHBondContact O-N 3.38Å; E820-R824 PolarHBondContact O-N 2.81Å; E820-K1249 WeakPolarHBondContact OE1-CD 3.44Å; E820-K1249 WeakPolarHBondContact OE1-CE 3.25Å; E820-K1249 IonicContact OE1-NZ 3.92Å; E820-K1249 PolarHBondContact OE1-NZ 3.16Å |
| 821 | V | 90.1 | Very high | 86.2 | Confident | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | L676 P677 P679 L817 S823 R824 H825 | L676-V821 HydrophobicContact CD1-CG1 3.72Å; L676-V821 HydrophobicContact CD2-CG1 4.08Å; L676-V821 HydrophobicContact CG-CG1 3.74Å; P677-V821 WeakPolarHBondContact O-CG1 3.43Å; P679-V821 HydrophobicContact CG-CG2 3.48Å; P679-V821 VanDerWaalsContact CG-CG2 3.48Å; L817-V821 WeakPolarHBondContact O-CG2 3.27Å; L817-V821 PolarHBondContact O-N 3.37Å; V821-S823 PolarHBondContact O-N 3.26Å; V821-R824 PolarHBondContact O-N 3.44Å; V821-H825 PolarHBondContact O-N 2.79Å |
| 822 | T | 87.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 13% | 0.129 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | L637 A818 R819 H825 R826 | L637-T822 VanDerWaalsContact CD2-OG1 3.29Å; L637-T822 WeakPolarHBondContact CD2-OG1 3.41Å; A818-T822 WeakPolarHBondContact O-CB 3.38Å; A818-T822 PolarHBondContact O-N 3.23Å; A818-T822 PolarHBondContact O-OG1 3.32Å; R819-T822 PolarHBondContact O-N 3.31Å; T822-H825 PolarHBondContact O-N 3.09Å; T822-R826 HydrophobicContact CG2-CG 4.49Å; T822-R826 WeakPolarHBondContact O-CB 3.18Å; T822-R826 WeakPolarHBondContact O-CG 3.36Å; T822-R826 PolarHBondContact O-N 3.13Å |
| 823 | S | 83.8 | Confident | 81.9 | Confident | 17 Ų | 17 | 36 Ų | 36 | 12% | 0.119 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 177.5 | -175.9 | 0 | 0 | 0 | 0 | 112.5 | N528 R819 E820 V821 L827 T2155 | N528-S823 VanDerWaalsContact ND2-CB 3.28Å; N528-S823 WeakPolarHBondContact ND2-CB 3.25Å; N528-S823 PolarHBondContact ND2-OG 2.8Å; R819-S823 WeakPolarHBondContact O-CB 3.44Å; R819-S823 PolarHBondContact O-N 3.36Å; E820-S823 WeakPolarHBondContact O-CB 3.36Å; E820-S823 PolarHBondContact O-N 3.38Å; V821-S823 PolarHBondContact O-N 3.26Å; S823-L827 PolarHBondContact O-N 3.32Å; S823-T2155 WeakPolarHBondContact OG-CB 3.43Å; S823-T2155 VanDerWaalsContact OG-CG2 3.27Å; S823-T2155 WeakPolarHBondContact OG-CG2 3.37Å |
| 824 | R | 85.6 | Confident | 79.5 | Confident | 15 Ų | 15 | 34.7 Ų | 34.7 | 6% | 0.057 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.5 | -39.4 | 171.5 | -70.6 | -174.4 | -68.5 | -95.8 | -0.2 | 112.1 | N528 P529 E820 V821 L827 A828 | N528-R824 HydrophobicContact CB-CG 4.1Å; N528-R824 PolarHBondContact O-NH1 2.8Å; P529-R824 PolarHBondContact O-NH1 3.31Å; E820-R824 PolarHBondContact O-N 2.81Å; V821-R824 PolarHBondContact O-N 3.44Å; R824-L827 WeakPolarHBondContact O-CB 3.29Å; R824-L827 PolarHBondContact O-N 3.05Å; R824-A828 PolarHBondContact O-N 3.16Å |
| 825 | H | 86.5 | Confident | 77.1 | Confident | 9 Ų | 9 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.2 | -179 | -82.9 | 0 | 0 | 0 | 112.5 | L489 S672 R673 L676 V821 T822 L827 A828 Y829 | L489-H825 HydrophobicContact CD1-CB 3.65Å; S672-H825 PolarHBondContact O-NE2 3.21Å; R673-H825 PolarHBondContact O-CE1 2.59Å; R673-H825 PolarHBondContact O-NE2 2.91Å; L676-H825 HydrophobicContact CD1-CB 3.29Å; V821-H825 PolarHBondContact O-N 2.79Å; T822-H825 PolarHBondContact O-N 3.09Å; H825-L827 VanDerWaalsContact C-N 3.28Å; H825-L827 PolarHBondContact O-N 3.36Å; H825-A828 CarbonylContact O-C 3.13Å; H825-A828 PolarHBondContact O-N 3.39Å; H825-A828 VanDerWaalsContact O-N 3.16Å; H825-Y829 AromaticContact CD2-CD2 3.74Å; H825-Y829 AromaticContact CE1-CD2 3.92Å; H825-Y829 AromaticContact NE2-CD2 3.5Å; H825-Y829 PolarHBondContact O-N 3.34Å |
| 826 | R | 79.5 | Confident | 74.6 | Confident | 71 Ų | 71 | 31 Ų | 31 | 27% | 0.268 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.3 | -31 | 173 | -74.1 | 178.2 | 177.2 | -179.2 | 0.3 | 113.1 | T822 Y829 P830 E831 L2158 R2159 | T822-R826 HydrophobicContact CG2-CG 4.49Å; T822-R826 WeakPolarHBondContact O-CB 3.18Å; T822-R826 WeakPolarHBondContact O-CG 3.36Å; T822-R826 PolarHBondContact O-N 3.13Å; R826-Y829 CarbonylContact O-C 3.48Å; R826-P830 VanDerWaalsContact O-CA 3.3Å; R826-P830 WeakPolarHBondContact O-CA 3.47Å; R826-E831 IonicContact NE-OE1 2.67Å; R826-E831 IonicContact NH2-OE1 3.83Å; R826-L2158 PolarHBondContact NH1-O 2.62Å; R826-R2159 PolarHBondContact NH1-OXT 3.34Å |
| 827 | L | 75.7 | Confident | 72.3 | Confident | 37 Ų | 37 | 30.8 Ų | 30.8 | 19% | 0.194 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 172.7 | -173 | 73.9 | 0 | 0 | 0 | 110.4 | S823 R824 H825 Q845 L2158 | S823-L827 PolarHBondContact O-N 3.32Å; R824-L827 WeakPolarHBondContact O-CB 3.29Å; R824-L827 PolarHBondContact O-N 3.05Å; H825-L827 VanDerWaalsContact C-N 3.28Å; H825-L827 PolarHBondContact O-N 3.36Å; L827-Q845 VanDerWaalsContact O-CD 3.22Å; L827-Q845 PolarHBondContact O-NE2 2.9Å; L827-Q845 PolarHBondContact O-OE1 3.42Å; L827-L2158 HydrophobicContact CB-CD1 4.48Å; L827-L2158 HydrophobicContact CD1-CD1 3.91Å |
| 828 | A | 79 | Confident | 69.8 | Low | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R485 P488 L489 R824 H825 P830 Q845 | R485-A828 WeakPolarHBondContact O-CB 3.48Å; P488-A828 HydrophobicContact CG-CB 4.17Å; L489-A828 HydrophobicContact CB-CB 3.86Å; R824-A828 PolarHBondContact O-N 3.16Å; H825-A828 CarbonylContact O-C 3.13Å; H825-A828 PolarHBondContact O-N 3.39Å; H825-A828 VanDerWaalsContact O-N 3.16Å; A828-P830 VanDerWaalsContact C-CD 3.48Å; A828-P830 WeakPolarHBondContact O-CD 3.41Å; A828-Q845 PolarHBondContact O-OE1 3.19Å |
| 829 | Y | 79.2 | Confident | 67.4 | Low | 47 Ų | 47 | 35.4 Ų | 35.4 | 18% | 0.184 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -129.1 | 72.4 | -174.8 | -58 | -69.1 | 0 | 0 | 0 | 111.6 | R485 L489 R673 H825 R826 E831 | R485-Y829 HydrophobicContact CB-CD1 4.46Å; R485-Y829 HydrophobicContact CB-CE1 3.72Å; R485-Y829 HydrophobicContact CG-CE1 4.14Å; L489-Y829 HydrophobicContact CD2-CE2 4.19Å; R673-Y829 HydrophobicContact CB-CD1 3.94Å; R673-Y829 HydrophobicContact CB-CE1 4.27Å; R673-Y829 HydrophobicContact CB-CG 4.23Å; R673-Y829 HydrophobicContact CG-CD1 4.22Å; R673-Y829 HydrophobicContact CG-CG 4.34Å; H825-Y829 AromaticContact CD2-CD2 3.74Å; H825-Y829 AromaticContact CE1-CD2 3.92Å; H825-Y829 AromaticContact NE2-CD2 3.5Å; H825-Y829 PolarHBondContact O-N 3.34Å; R826-Y829 CarbonylContact O-C 3.48Å; Y829-E831 PolarHBondContact O-N 3.29Å |
| 830 | P | 69.9 | Low | 65.2 | Low | 19 Ų | 19 | 33.6 Ų | 33.6 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | trans | -61.5 | 134.4 | 179 | 18.4 | -28.7 | 0 | 0 | 0 | 112.7 | R826 A828 C832 T837 | R826-P830 VanDerWaalsContact O-CA 3.3Å; R826-P830 WeakPolarHBondContact O-CA 3.47Å; A828-P830 VanDerWaalsContact C-CD 3.48Å; A828-P830 WeakPolarHBondContact O-CD 3.41Å; P830-C832 VanDerWaalsContact C-N 3.29Å; P830-C832 PolarHBondContact O-N 3.26Å; P830-T837 HydrophobicContact CB-CG2 3.71Å; P830-T837 HydrophobicContact CG-CG2 3.12Å | ||
| 831 | E | 59.7 | Low | 62.9 | Low | 130 Ų | 130 | 34.6 Ų | 34.6 | 61% | 0.607 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -62.4 | -32.3 | -177.4 | -73.1 | 174.1 | -175.7 | 0 | 0 | 113.3 | R826 Y829 | R826-E831 IonicContact NE-OE1 2.67Å; R826-E831 IonicContact NH2-OE1 3.83Å; Y829-E831 PolarHBondContact O-N 3.29Å |
| 832 | C | 51.8 | Low | 60.5 | Low | 63 Ų | 63 | 40.2 Ų | 40.2 | 43% | 0.426 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -118.2 | 114.4 | -179.2 | -156.6 | 0 | 0 | 0 | 0 | 109.2 | P830 T834 T837 | P830-C832 VanDerWaalsContact C-N 3.29Å; P830-C832 PolarHBondContact O-N 3.26Å; C832-T834 PolarHBondContact O-N 2.92Å; C832-T837 PolarHBondContact O-OG1 3.44Å; C832-T837 VanDerWaalsContact O-OG1 3.14Å |
| 833 | Q | 47.7 | Very low | 58.4 | Low | 91 Ų | 91 | 40.9 Ų | 40.9 | 43% | 0.425 | 21% | 0.206 | S | C | . | . | trans | -75.9 | 72 | 170 | -78.4 | -174.9 | -14 | 0 | 0 | 109.8 | I1764 | Q833-I1764 WeakPolarHBondContact O-CD1 3.4Å; Q833-I1764 WeakPolarHBondContact O-CG1 3.36Å | ||
| 834 | T | 46.4 | Very low | 56.8 | Low | 23 Ų | 23 | 40.4 Ų | 40.4 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | trans | -68.1 | 166.5 | 166.1 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | C832 C836 T837 K838 Q2145 | C832-T834 PolarHBondContact O-N 2.92Å; T834-C836 PolarHBondContact O-N 2.77Å; T834-C836 VanDerWaalsContact O-N 3.16Å; T834-T837 WeakPolarHBondContact CA-OG1 3.26Å; T834-T837 PolarHBondContact N-OG1 3.14Å; T834-T837 WeakPolarHBondContact O-CA 3.45Å; T834-T837 VanDerWaalsContact O-CB 3.27Å; T834-T837 WeakPolarHBondContact O-CB 3.22Å; T834-T837 PolarHBondContact O-N 2.79Å; T834-T837 PolarHBondContact O-OG1 2.9Å; T834-T837 PolarHBondContact OG1-OG1 3Å; T834-K838 PolarHBondContact O-N 3.49Å; T834-Q2145 PolarHBondContact OG1-OE1 2.72Å | ||
| 835 | L | 43.7 | Very low | 55.1 | Low | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.8 | -33.4 | 177.6 | -158.5 | 82.6 | 0 | 0 | 0 | 111.6 | T837 K838 V839 I1758 N1762 R1763 K1788 | L835-T837 PolarHBondContact O-N 2.89Å; L835-K838 PolarHBondContact O-N 3.07Å; L835-V839 HydrophobicContact CG-CG2 4.3Å; L835-V839 WeakPolarHBondContact O-CB 3.34Å; L835-V839 VanDerWaalsContact O-CG2 3.22Å; L835-V839 WeakPolarHBondContact O-CG2 3.29Å; L835-V839 PolarHBondContact O-N 2.85Å; L835-I1758 HydrophobicContact CD1-CG2 3.62Å; L835-I1758 HydrophobicContact CD2-CB 4.37Å; L835-I1758 HydrophobicContact CD2-CD1 3.74Å; L835-I1758 HydrophobicContact CD2-CG2 4.01Å; L835-I1758 HydrophobicContact CG-CD1 4.46Å; L835-I1758 HydrophobicContact CG-CG2 4.07Å; L835-N1762 HydrophobicContact CD1-CB 3.77Å; L835-N1762 WeakPolarHBondContact CD1-O 3.32Å; L835-R1763 HydrophobicContact CB-CG 4.43Å; L835-R1763 HydrophobicContact CD1-CB 4.14Å; L835-R1763 HydrophobicContact CD1-CG 3.43Å; L835-R1763 VanDerWaalsContact CD1-CG 3.43Å; L835-R1763 HydrophobicContact CD2-CG 3.67Å; L835-R1763 HydrophobicContact CG-CG 4.03Å; L835-K1788 CarbonylContact C-O 3.59Å; L835-K1788 WeakPolarHBondContact CB-O 3.27Å |
| 836 | C | 42.6 | Very low | 53.5 | Low | 7 Ų | 7 | 42.4 Ų | 42.4 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -33.2 | 175.9 | -145.9 | 0 | 0 | 0 | 0 | 111 | T834 L840 K1788 V1789 | T834-C836 PolarHBondContact O-N 2.77Å; T834-C836 VanDerWaalsContact O-N 3.16Å; C836-L840 WeakPolarHBondContact O-CA 3.35Å; C836-L840 WeakPolarHBondContact O-CB 3.29Å; C836-L840 VanDerWaalsContact O-CD1 3.26Å; C836-L840 WeakPolarHBondContact O-CD1 3.47Å; C836-L840 WeakPolarHBondContact O-CG 3.28Å; C836-L840 PolarHBondContact O-N 3.34Å; C836-K1788 WeakPolarHBondContact CA-O 3.26Å; C836-K1788 WeakPolarHBondContact CB-O 3.18Å; C836-K1788 PolarHBondContact N-O 3.27Å; C836-V1789 HydrophobicContact CB-CB 4.47Å; C836-V1789 HydrophobicContact CB-CG1 3.62Å |
| 837 | T | 44.5 | Very low | 52.4 | Low | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.9 | -46.5 | 175.3 | -15.6 | 0 | 0 | 0 | 0 | 111 | P830 C832 T834 L835 V839 L840 D841 Q2145 | P830-T837 HydrophobicContact CB-CG2 3.71Å; P830-T837 HydrophobicContact CG-CG2 3.12Å; C832-T837 PolarHBondContact O-OG1 3.44Å; C832-T837 VanDerWaalsContact O-OG1 3.14Å; T834-T837 WeakPolarHBondContact CA-OG1 3.26Å; T834-T837 PolarHBondContact N-OG1 3.14Å; T834-T837 WeakPolarHBondContact O-CA 3.45Å; T834-T837 VanDerWaalsContact O-CB 3.27Å; T834-T837 WeakPolarHBondContact O-CB 3.22Å; T834-T837 PolarHBondContact O-N 2.79Å; T834-T837 PolarHBondContact O-OG1 2.9Å; T834-T837 PolarHBondContact OG1-OG1 3Å; L835-T837 PolarHBondContact O-N 2.89Å; T837-V839 PolarHBondContact O-N 2.82Å; T837-L840 CarbonylContact O-C 3.35Å; T837-L840 PolarHBondContact O-N 3.04Å; T837-D841 WeakPolarHBondContact O-CA 3.38Å; T837-D841 WeakPolarHBondContact O-CB 3.45Å; T837-D841 PolarHBondContact O-N 2.96Å; T837-Q2145 PolarHBondContact OG1-OE1 3.04Å |
| 838 | K | 42 | Very low | 52 | Low | 78 Ų | 78 | 40 Ų | 40 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.6 | -31.4 | 174.1 | -86.2 | -179.1 | 173.3 | 174.5 | 0 | 114.2 | T834 L835 D841 N842 N1762 | T834-K838 PolarHBondContact O-N 3.49Å; L835-K838 PolarHBondContact O-N 3.07Å; K838-D841 WeakPolarHBondContact O-CB 3.24Å; K838-N842 PolarHBondContact O-N 3.03Å; K838-N1762 HydrophobicContact CD-CB 4.1Å; K838-N1762 PolarHBondContact NZ-OD1 2.95Å |
| 839 | V | 40 | Very low | 51.7 | Low | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -77.5 | -36.7 | 175.3 | 175.5 | 0 | 0 | 0 | 0 | 111.1 | L835 T837 D841 N842 L843 I1758 | L835-V839 HydrophobicContact CG-CG2 4.3Å; L835-V839 WeakPolarHBondContact O-CB 3.34Å; L835-V839 VanDerWaalsContact O-CG2 3.22Å; L835-V839 WeakPolarHBondContact O-CG2 3.29Å; L835-V839 PolarHBondContact O-N 2.85Å; T837-V839 PolarHBondContact O-N 2.82Å; V839-D841 VanDerWaalsContact C-N 3.32Å; V839-N842 CarbonylContact O-C 3.55Å; V839-N842 PolarHBondContact O-N 3.46Å; V839-L843 HydrophobicContact CG1-CD1 3.95Å; V839-L843 WeakPolarHBondContact O-CB 3.37Å; V839-L843 WeakPolarHBondContact O-CD1 3.18Å; V839-L843 WeakPolarHBondContact O-CG 3.36Å; V839-L843 PolarHBondContact O-N 2.95Å; V839-I1758 HydrophobicContact CG2-CD1 3.39Å; V839-I1758 HydrophobicContact CG2-CG1 4.18Å |
| 840 | L | 42.4 | Very low | 51.6 | Low | 35 Ų | 35 | 39 Ų | 39 | 18% | 0.183 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.5 | -31.1 | 169.5 | -76.6 | 161 | 0 | 0 | 0 | 111.7 | C836 T837 L843 G844 I2153 | C836-L840 WeakPolarHBondContact O-CA 3.35Å; C836-L840 WeakPolarHBondContact O-CB 3.29Å; C836-L840 VanDerWaalsContact O-CD1 3.26Å; C836-L840 WeakPolarHBondContact O-CD1 3.47Å; C836-L840 WeakPolarHBondContact O-CG 3.28Å; C836-L840 PolarHBondContact O-N 3.34Å; T837-L840 CarbonylContact O-C 3.35Å; T837-L840 PolarHBondContact O-N 3.04Å; L840-L843 CarbonylContact O-C 3.44Å; L840-L843 PolarHBondContact O-N 2.99Å; L840-L843 VanDerWaalsContact O-N 3.17Å; L840-G844 PolarHBondContact O-N 3.21Å; L840-I2153 HydrophobicContact CD1-CD1 3.71Å; L840-I2153 HydrophobicContact CD2-CD1 4.03Å |
| 841 | D | 42.5 | Very low | 52.4 | Low | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -45 | 171.1 | -68.8 | -13.9 | 0 | 0 | 0 | 109.5 | R485 T837 K838 V839 L843 G844 | R485-D841 IonicContact CZ-OD1 3.44Å; R485-D841 IonicContact CZ-OD2 2.62Å; R485-D841 IonicContact NH1-OD1 2.72Å; R485-D841 PolarHBondContact NH1-OD1 3.46Å; R485-D841 IonicContact NH1-OD2 2.7Å; R485-D841 IonicContact NH2-OD1 3.74Å; R485-D841 PolarHBondContact NH2-OD1 3.05Å; R485-D841 IonicContact NH2-OD2 3.45Å; R485-D841 PolarHBondContact NH2-OD2 3.48Å; T837-D841 WeakPolarHBondContact O-CA 3.38Å; T837-D841 WeakPolarHBondContact O-CB 3.45Å; T837-D841 PolarHBondContact O-N 2.96Å; K838-D841 WeakPolarHBondContact O-CB 3.24Å; V839-D841 VanDerWaalsContact C-N 3.32Å; D841-L843 VanDerWaalsContact C-N 3.31Å; D841-L843 PolarHBondContact O-N 2.92Å; D841-G844 PolarHBondContact O-N 3.2Å |
| 842 | N | 39.9 | Very low | 53.7 | Low | 125 Ų | 125 | 34.4 Ų | 34.4 | 67% | 0.668 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -71.5 | -19.5 | 172.3 | -73.2 | -8 | 0 | 0 | 0 | 114.1 | K838 V839 | K838-N842 PolarHBondContact O-N 3.03Å; V839-N842 CarbonylContact O-C 3.55Å; V839-N842 PolarHBondContact O-N 3.46Å |
| 843 | L | 44 | Very low | 55.6 | Low | 35 Ų | 35 | 31.7 Ų | 31.7 | 18% | 0.183 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.3 | 175.9 | -71.8 | 161.6 | 0 | 0 | 0 | 112.9 | V839 L840 D841 I1703 A1706 | V839-L843 HydrophobicContact CG1-CD1 3.95Å; V839-L843 WeakPolarHBondContact O-CB 3.37Å; V839-L843 WeakPolarHBondContact O-CD1 3.18Å; V839-L843 WeakPolarHBondContact O-CG 3.36Å; V839-L843 PolarHBondContact O-N 2.95Å; L840-L843 CarbonylContact O-C 3.44Å; L840-L843 PolarHBondContact O-N 2.99Å; L840-L843 VanDerWaalsContact O-N 3.17Å; D841-L843 VanDerWaalsContact C-N 3.31Å; D841-L843 PolarHBondContact O-N 2.92Å; L843-I1703 HydrophobicContact CB-CG2 4.33Å; L843-I1703 HydrophobicContact CD2-CG2 4.04Å; L843-I1703 WeakPolarHBondContact O-CG2 3.4Å; L843-A1706 HydrophobicContact CD2-CB 3.91Å |
| 844 | G | 49.6 | Very low | 57.6 | Low | 7 Ų | 7 | 27.8 Ų | 27.8 | 7% | 0.072 | 15% | 0.148 | C | C | . | . | trans | 68.7 | 109.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L840 D841 F846 G847 | L840-G844 PolarHBondContact O-N 3.21Å; D841-G844 PolarHBondContact O-N 3.2Å; G844-F846 PolarHBondContact O-N 3.42Å; G844-G847 PolarHBondContact O-N 3.45Å | ||
| 845 | Q | 50.9 | Low | 59.8 | Low | 36 Ų | 36 | 27.9 Ų | 27.9 | 17% | 0.168 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -56.1 | -22.8 | 168 | -68.1 | -172.9 | -18.7 | 0 | 0 | 112.2 | P488 L827 A828 G847 | P488-Q845 HydrophobicContact CG-CB 4.29Å; L827-Q845 VanDerWaalsContact O-CD 3.22Å; L827-Q845 PolarHBondContact O-NE2 2.9Å; L827-Q845 PolarHBondContact O-OE1 3.42Å; A828-Q845 PolarHBondContact O-OE1 3.19Å; Q845-G847 PolarHBondContact O-N 3.49Å |
| 846 | F | 53.5 | Low | 61.8 | Low | 30 Ų | 30 | 28.2 Ų | 28.2 | 13% | 0.132 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -63.3 | -19.5 | 170.8 | -163.6 | -98 | 0 | 0 | 0 | 114.1 | L487 P494 I497 G844 N848 | L487-F846 HydrophobicContact CB-CD2 4Å; L487-F846 HydrophobicContact CB-CE2 4.22Å; L487-F846 HydrophobicContact CD1-CD2 3.7Å; L487-F846 HydrophobicContact CD1-CE2 3.8Å; L487-F846 HydrophobicContact CG-CD2 4.5Å; P494-F846 HydrophobicContact CB-CE1 4.48Å; P494-F846 VanDerWaalsContact CD-O 3.22Å; P494-F846 WeakPolarHBondContact CD-O 3.5Å; P494-F846 HydrophobicContact CG-CD1 4.3Å; P494-F846 HydrophobicContact CG-CE1 4.01Å; P494-F846 WeakPolarHBondContact CG-O 3.48Å; I497-F846 HydrophobicContact CD1-CE1 4.02Å; I497-F846 HydrophobicContact CD1-CE2 3.9Å; I497-F846 HydrophobicContact CD1-CZ 3.23Å; I497-F846 HydrophobicContact CG1-CZ 3.81Å; G844-F846 PolarHBondContact O-N 3.42Å; F846-N848 VanDerWaalsContact C-N 3.27Å; F846-N848 PolarHBondContact O-N 3.37Å |
| 847 | G | 56.4 | Low | 63.7 | Low | 18 Ų | 18 | 29.5 Ų | 29.5 | 19% | 0.186 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -72.9 | -13.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | G844 Q845 N849 | G844-G847 PolarHBondContact O-N 3.45Å; Q845-G847 PolarHBondContact O-N 3.49Å; G847-N849 PolarHBondContact O-N 3.43Å; G847-N849 VanDerWaalsContact O-N 3.13Å |
| 848 | N | 65.6 | Low | 65.3 | Low | 41 Ų | 41 | 30.6 Ų | 30.6 | 22% | 0.219 | 17% | 0.166 | C | C | . | . | trans | -72.3 | 107.9 | -179.7 | -163.2 | 12.7 | 0 | 0 | 0 | 110.1 | F846 P850 | F846-N848 VanDerWaalsContact C-N 3.27Å; F846-N848 PolarHBondContact O-N 3.37Å; N848-P850 VanDerWaalsContact O-CD 3.25Å; N848-P850 WeakPolarHBondContact O-CD 3.49Å | ||
| 849 | N | 74.3 | Confident | 67.3 | Low | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -104.3 | 97.3 | 175.7 | -178.5 | -3.2 | 0 | 0 | 0 | 109.4 | E495 G847 G851 | E495-N849 WeakPolarHBondContact CG-OD1 3.43Å; G847-N849 PolarHBondContact O-N 3.43Å; G847-N849 VanDerWaalsContact O-N 3.13Å; N849-G851 PolarHBondContact O-N 3.32Å; N849-G851 PolarHBondContact OD1-N 2.92Å | ||
| 850 | P | 76.7 | Confident | 69.6 | Low | 15 Ų | 15 | 26.4 Ų | 26.4 | 10% | 0.097 | 15% | 0.147 | C | C | . | . | trans | -66.8 | -16.6 | 179.7 | 27.1 | -34.1 | 0 | 0 | 0 | 112.9 | N848 F852 G859 E860 | N848-P850 VanDerWaalsContact O-CD 3.25Å; N848-P850 WeakPolarHBondContact O-CD 3.49Å; P850-F852 HydrophobicContact CB-CD2 4.44Å; P850-F852 HydrophobicContact CB-CE2 4.03Å; P850-F852 HydrophobicContact CB-CZ 4.11Å; P850-F852 HydrophobicContact CG-CD2 3.64Å; P850-F852 HydrophobicContact CG-CE2 3.26Å; P850-F852 HydrophobicContact CG-CG 4.47Å; P850-F852 HydrophobicContact CG-CZ 3.82Å; P850-G859 CarbonylContact O-C 3.41Å; P850-G859 VanDerWaalsContact O-CA 3.22Å; P850-G859 WeakPolarHBondContact O-CA 3.48Å; P850-E860 PolarHBondContact O-N 3.05Å | ||
| 851 | G | 85.3 | Confident | 71.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 73.9 | 54.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E495 N849 H854 H862 | E495-G851 WeakPolarHBondContact OE2-CA 3.24Å; N849-G851 PolarHBondContact O-N 3.32Å; N849-G851 PolarHBondContact OD1-N 2.92Å; G851-H854 CarbonylContact C-O 3.6Å; G851-H854 VanDerWaalsContact C-O 3.29Å; G851-H854 WeakPolarHBondContact CA-O 3.48Å; G851-H854 VanDerWaalsContact O-O 3.12Å; G851-H862 PolarHBondContact O-NE2 3.21Å | ||
| 852 | F | 88.9 | Confident | 74.4 | Confident | 54 Ų | 54 | 25.8 Ų | 25.8 | 24% | 0.237 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -73 | -32.2 | 176.9 | -67.6 | -62.9 | 0 | 0 | 0 | 111.7 | E495 Q527 P850 E860 K1110 | E495-F852 PolarHBondContact OE2-N 3.33Å; Q527-F852 HydrophobicContact CB-CE1 4.04Å; Q527-F852 HydrophobicContact CB-CZ 4.22Å; Q527-F852 HydrophobicContact CG-CE1 4.24Å; P850-F852 HydrophobicContact CB-CD2 4.44Å; P850-F852 HydrophobicContact CB-CE2 4.03Å; P850-F852 HydrophobicContact CB-CZ 4.11Å; P850-F852 HydrophobicContact CG-CD2 3.64Å; P850-F852 HydrophobicContact CG-CE2 3.26Å; P850-F852 HydrophobicContact CG-CG 4.47Å; P850-F852 HydrophobicContact CG-CZ 3.82Å; F852-E860 HydrophobicContact CD1-CB 4.22Å; F852-E860 HydrophobicContact CD1-CG 4.14Å; F852-E860 HydrophobicContact CE1-CG 4.47Å; F852-E860 WeakPolarHBondContact CE1-OE2 3.12Å; F852-K1110 VanDerWaalsContact O-CE 3.28Å; F852-K1110 WeakPolarHBondContact O-CE 3.18Å; F852-K1110 PolarHBondContact O-NZ 3.24Å |
| 853 | Y | 90.7 | Very high | 76.9 | Confident | 6 Ų | 6 | 20 Ų | 20 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -98 | -39.8 | -179.4 | -62.2 | -89.5 | 0 | 0 | 0 | 112 | E495 L499 L500 E711 W1106 K1110 R1177 | E495-Y853 HydrophobicContact CB-CD2 4Å; E495-Y853 PolarHBondContact OE2-N 3.23Å; E495-Y853 VanDerWaalsContact OE2-N 3.12Å; L499-Y853 HydrophobicContact CD1-CG 4.3Å; L500-Y853 HydrophobicContact CD1-CE2 4.41Å; L500-Y853 WeakPolarHBondContact CD1-OH 3.09Å; E711-Y853 PolarHBondContact OE1-OH 2.85Å; E711-Y853 PolarHBondContact OE2-OH 3.09Å; Y853-W1106 AromaticContact CD1-CD2 3.81Å; Y853-W1106 HydrophobicContact CD1-CD2 3.81Å; Y853-W1106 AromaticContact CD1-CE3 3.5Å; Y853-W1106 HydrophobicContact CD1-CE3 3.5Å; Y853-W1106 VanDerWaalsContact CD1-CE3 3.5Å; Y853-W1106 HydrophobicContact CD1-CG 4.42Å; Y853-W1106 HydrophobicContact CD1-CH2 4.23Å; Y853-W1106 AromaticContact CD1-CZ3 3.73Å; Y853-W1106 HydrophobicContact CD1-CZ3 3.73Å; Y853-W1106 HydrophobicContact CE1-CB 4.34Å; Y853-W1106 HydrophobicContact CE1-CD2 4.18Å; Y853-W1106 HydrophobicContact CE1-CE3 4.03Å; Y853-W1106 HydrophobicContact CE1-CG 4.36Å; Y853-K1110 HydrophobicContact CD1-CG 4.22Å; Y853-K1110 HydrophobicContact CE1-CG 3.79Å; Y853-R1177 PolarHBondContact O-NH1 2.84Å |
| 854 | H | 90.2 | Very high | 79.3 | Confident | 9 Ų | 9 | 18.3 Ų | 18.3 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -119.8 | 142.4 | 178.4 | -63.1 | 153.1 | 0 | 0 | 0 | 111.2 | E495 G851 R856 G1670 | E495-H854 WeakPolarHBondContact OE1-CB 3.37Å; E495-H854 IonicContact OE1-CG 3.54Å; E495-H854 PolarHBondContact OE1-N 3.47Å; E495-H854 IonicContact OE1-ND1 3.16Å; G851-H854 CarbonylContact C-O 3.6Å; G851-H854 VanDerWaalsContact C-O 3.29Å; G851-H854 WeakPolarHBondContact CA-O 3.48Å; G851-H854 VanDerWaalsContact O-O 3.12Å; H854-R856 PolarHBondContact O-N 3.08Å; H854-G1670 WeakPolarHBondContact CB-O 3.44Å |
| 855 | W | 91.7 | Very high | 81.2 | Confident | 25 Ų | 25 | 18.6 Ų | 18.6 | 10% | 0.095 | 11% | 0.105 | C | C | . | . | trans | -62.6 | 133.6 | 179 | -179.6 | 85.8 | 0 | 0 | 0 | 111 | L857 H862 P866 G1670 V1671 P1672 | W855-L857 HydrophobicContact CH2-CB 3.89Å; W855-L857 HydrophobicContact CH2-CD1 3.89Å; W855-L857 HydrophobicContact CZ2-CB 4.45Å; W855-L857 HydrophobicContact CZ2-CD1 4.06Å; W855-L857 HydrophobicContact CZ3-CB 4.42Å; W855-H862 AromaticContact CD1-CD2 3.87Å; W855-P866 HydrophobicContact CD2-CG 4.18Å; W855-P866 HydrophobicContact CE3-CG 3.75Å; W855-P866 HydrophobicContact CH2-CG 3.68Å; W855-P866 HydrophobicContact CZ2-CG 4.1Å; W855-P866 HydrophobicContact CZ3-CG 3.49Å; W855-P866 VanDerWaalsContact CZ3-CG 3.49Å; W855-G1670 PolarHBondContact N-O 2.89Å; W855-V1671 HydrophobicContact CB-CG2 4.15Å; W855-P1672 HydrophobicContact CE3-CG 4.43Å; W855-P1672 WeakPolarHBondContact O-CD 3.31Å | ||
| 856 | R | 85.6 | Confident | 83.1 | Confident | 6 Ų | 6 | 17 Ų | 17 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | trans | -132 | 141.9 | 173.5 | -63.3 | -64.2 | 178.6 | -102.9 | 8 | 109.4 | H854 G858 G859 | H854-R856 PolarHBondContact O-N 3.08Å; R856-G858 PolarHBondContact O-N 2.99Å; R856-G859 PolarHBondContact O-N 3.2Å | ||
| 857 | L | 83.6 | Confident | 84.9 | Confident | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 127.8 | 179.3 | -175.7 | 69.8 | 0 | 0 | 0 | 109.7 | W855 G859 Q1675 P2149 G2150 | W855-L857 HydrophobicContact CH2-CB 3.89Å; W855-L857 HydrophobicContact CH2-CD1 3.89Å; W855-L857 HydrophobicContact CZ2-CB 4.45Å; W855-L857 HydrophobicContact CZ2-CD1 4.06Å; W855-L857 HydrophobicContact CZ3-CB 4.42Å; L857-G859 VanDerWaalsContact C-N 3.26Å; L857-G859 PolarHBondContact O-N 3.29Å; L857-Q1675 HydrophobicContact CB-CG 4.21Å; L857-P2149 HydrophobicContact CD2-CB 3.91Å; L857-P2149 HydrophobicContact CG-CB 3.88Å; L857-P2149 VanDerWaalsContact O-O 3.11Å; L857-G2150 WeakPolarHBondContact O-CA 3.49Å |
| 858 | G | 78 | Confident | 86.6 | Confident | 28 Ų | 28 | 19.8 Ų | 19.8 | 29% | 0.289 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R856 I2152 | R856-G858 PolarHBondContact O-N 2.99Å; G858-I2152 WeakPolarHBondContact O-CG2 3.22Å |
| 859 | G | 83.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 17.8 Ų | 17.8 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -91.5 | -144.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q527 P850 R856 L857 I2152 | Q527-G859 PolarHBondContact NE2-O 3.43Å; P850-G859 CarbonylContact O-C 3.41Å; P850-G859 VanDerWaalsContact O-CA 3.22Å; P850-G859 WeakPolarHBondContact O-CA 3.48Å; R856-G859 PolarHBondContact O-N 3.2Å; L857-G859 VanDerWaalsContact C-N 3.26Å; L857-G859 PolarHBondContact O-N 3.29Å; G859-I2152 VanDerWaalsContact N-CD1 3.28Å |
| 860 | E | 88.3 | Confident | 88.7 | Confident | 7 Ų | 7 | 17.9 Ų | 17.9 | 3% | 0.033 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -63.6 | 140.2 | 171.2 | -167.7 | 62.8 | -80.4 | 0 | 0 | 109.9 | A519 P520 S525 Q527 P850 F852 H862 | A519-E860 HydrophobicContact CB-CG 4.48Å; P520-E860 HydrophobicContact CG-CG 4.3Å; S525-E860 WeakPolarHBondContact CB-OE2 3.44Å; S525-E860 PolarHBondContact OG-OE2 3.26Å; Q527-E860 HydrophobicContact CG-CB 4.34Å; Q527-E860 WeakPolarHBondContact CG-OE2 3.26Å; P850-E860 PolarHBondContact O-N 3.05Å; F852-E860 HydrophobicContact CD1-CB 4.22Å; F852-E860 HydrophobicContact CD1-CG 4.14Å; F852-E860 HydrophobicContact CE1-CG 4.47Å; F852-E860 WeakPolarHBondContact CE1-OE2 3.12Å; E860-H862 PolarHBondContact O-CD2 2.99Å |
| 861 | N | 91.1 | Very high | 89.4 | Confident | 47 Ų | 47 | 19.4 Ų | 19.4 | 25% | 0.251 | 10% | 0.103 | S | C | . | . | trans | -68.3 | 152.3 | 177.4 | -73.8 | -57.9 | 0 | 0 | 0 | 109.8 | P520 H897 | P520-N861 WeakPolarHBondContact CD-O 3.3Å; P520-N861 HydrophobicContact CG-CB 4.18Å; N861-H897 HydrophobicContact CB-CB 3.95Å | ||
| 862 | H | 93.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.009 | 10% | 0.104 | C | C | . | . | trans | -137.2 | 146.3 | 168.4 | -73.1 | -103.5 | 0 | 0 | 0 | 109.7 | D518 G851 W855 E860 N864 | D518-H862 CarbonylContact O-C 3.58Å; D518-H862 VanDerWaalsContact O-CA 3.27Å; D518-H862 WeakPolarHBondContact O-CA 3.45Å; D518-H862 IonicContact OD1-CE1 3.69Å; D518-H862 IonicContact OD1-CG 3.93Å; D518-H862 IonicContact OD1-ND1 2.68Å; D518-H862 PolarHBondContact OD1-ND1 3.29Å; D518-H862 IonicContact OD2-ND1 3.74Å; G851-H862 PolarHBondContact O-NE2 3.21Å; W855-H862 AromaticContact CD1-CD2 3.87Å; E860-H862 PolarHBondContact O-CD2 2.99Å; H862-N864 PolarHBondContact O-N 3.35Å | ||
| 863 | M | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -59.3 | -39 | 172.9 | -63.5 | -171.5 | 60.7 | 0 | 0 | 111.1 | D518 S865 C898 T899 Q1143 R1145 | D518-M863 HydrophobicContact CB-CB 4.05Å; D518-M863 HydrophobicContact CB-CG 4.49Å; D518-M863 PolarHBondContact O-N 2.68Å; M863-S865 PolarHBondContact O-N 3.14Å; M863-C898 HydrophobicContact CG-CB 3.79Å; M863-T899 HydrophobicContact CE-CG2 4.33Å; M863-T899 HydrophobicContact CG-CG2 4.38Å; M863-T899 HydrophobicContact SD-CG2 3.56Å; M863-T899 VanDerWaalsContact SD-CG2 3.56Å; M863-Q1143 HydrophobicContact CE-CB 3.6Å; M863-Q1143 HydrophobicContact CE-CG 4.43Å; M863-Q1143 HydrophobicContact SD-CB 3.73Å; M863-Q1143 HydrophobicContact SD-CG 4.01Å; M863-R1145 PolarHBondContact O-NH1 3.23Å; M863-R1145 PolarHBondContact O-NH2 3.2Å |
| 864 | N | 93.4 | Very high | 90 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -98.5 | 84.6 | 179 | -55.8 | -69.1 | 0 | 0 | 0 | 111.4 | D518 H862 I869 Q1143 R1145 M1175 | D518-N864 VanDerWaalsContact OD2-CB 3.3Å; D518-N864 WeakPolarHBondContact OD2-CB 3.25Å; D518-N864 PolarHBondContact OD2-N 2.98Å; D518-N864 PolarHBondContact OD2-ND2 3.07Å; H862-N864 PolarHBondContact O-N 3.35Å; N864-I869 HydrophobicContact CB-CD1 4.44Å; N864-Q1143 PolarHBondContact ND2-OE1 3.32Å; N864-R1145 PolarHBondContact OD1-NH1 3.35Å; N864-R1145 VanDerWaalsContact OD1-NH1 3.08Å; N864-M1175 HydrophobicContact CB-CE 3.95Å; N864-M1175 HydrophobicContact CB-CG 4.04Å; N864-M1175 HydrophobicContact CB-SD 4.49Å |
| 865 | S | 91.2 | Very high | 90 | Very high | 12 Ų | 12 | 17.1 Ų | 17.1 | 8% | 0.084 | 10% | 0.096 | C | C | . | . | trans | -87.2 | 162.1 | 170.4 | 79.5 | 0 | 0 | 0 | 0 | 111.5 | M863 E867 V868 I869 | M863-S865 PolarHBondContact O-N 3.14Å; S865-E867 PolarHBondContact O-N 3.09Å; S865-V868 PolarHBondContact O-N 3.1Å; S865-V868 WeakPolarHBondContact OG-CG2 3.33Å; S865-V868 PolarHBondContact OG-N 3.32Å; S865-I869 WeakPolarHBondContact O-CD1 3.22Å; S865-I869 WeakPolarHBondContact O-CG1 3.48Å; S865-I869 PolarHBondContact O-N 3.03Å; S865-I869 VanDerWaalsContact O-N 3.15Å | ||
| 866 | P | 90.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -53.4 | -38.7 | 174.5 | -25.5 | 32.8 | 0 | 0 | 0 | 113.3 | W855 A870 V1671 F1673 | W855-P866 HydrophobicContact CD2-CG 4.18Å; W855-P866 HydrophobicContact CE3-CG 3.75Å; W855-P866 HydrophobicContact CH2-CG 3.68Å; W855-P866 HydrophobicContact CZ2-CG 4.1Å; W855-P866 HydrophobicContact CZ3-CG 3.49Å; W855-P866 VanDerWaalsContact CZ3-CG 3.49Å; P866-A870 WeakPolarHBondContact O-CB 3.31Å; P866-A870 PolarHBondContact O-N 2.69Å; P866-V1671 HydrophobicContact CB-CG1 4.31Å; P866-V1671 HydrophobicContact CG-CG1 3.59Å; P866-F1673 HydrophobicContact CB-CD1 3.72Å; P866-F1673 HydrophobicContact CB-CE1 3.77Å; P866-F1673 HydrophobicContact CB-CG 4.24Å; P866-F1673 HydrophobicContact CB-CZ 4.29Å; P866-F1673 VanDerWaalsContact O-CE1 3.25Å; P866-F1673 WeakPolarHBondContact O-CE1 3.34Å |
| 867 | E | 89.5 | Confident | 90.3 | Very high | 104 Ų | 104 | 18.2 Ų | 18.2 | 49% | 0.486 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -70.1 | -45.5 | -178.2 | -174.2 | 165.9 | -162.5 | 0 | 0 | 112 | S865 I869 A870 K871 V890 | S865-E867 PolarHBondContact O-N 3.09Å; E867-I869 VanDerWaalsContact C-N 3.31Å; E867-I869 PolarHBondContact O-N 2.97Å; E867-A870 PolarHBondContact O-N 3.17Å; E867-K871 HydrophobicContact CG-CG 4.33Å; E867-K871 WeakPolarHBondContact O-CG 3.27Å; E867-K871 PolarHBondContact O-N 2.88Å; E867-V890 HydrophobicContact CB-CG1 4.39Å; E867-V890 HydrophobicContact CG-CG1 4.22Å; E867-V890 HydrophobicContact CG-CG2 4.22Å |
| 868 | V | 92.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.5 | -47.2 | 175.7 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | S865 L872 F887 V890 A891 | S865-V868 PolarHBondContact O-N 3.1Å; S865-V868 WeakPolarHBondContact OG-CG2 3.33Å; S865-V868 PolarHBondContact OG-N 3.32Å; V868-L872 VanDerWaalsContact O-CB 3.3Å; V868-L872 WeakPolarHBondContact O-CB 3.13Å; V868-L872 PolarHBondContact O-N 2.97Å; V868-F887 HydrophobicContact CG1-CD2 3.98Å; V868-F887 HydrophobicContact CG1-CE2 3.77Å; V868-V890 HydrophobicContact CG2-CB 4.17Å; V868-V890 HydrophobicContact CG2-CG1 3.56Å; V868-A891 HydrophobicContact CG1-CB 4.39Å |
| 869 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.9 | -47.3 | -179 | -65 | 162.8 | 0 | 0 | 0 | 110.7 | N864 S865 E867 Q873 I1169 M1175 V1671 F1673 | N864-I869 HydrophobicContact CB-CD1 4.44Å; S865-I869 WeakPolarHBondContact O-CD1 3.22Å; S865-I869 WeakPolarHBondContact O-CG1 3.48Å; S865-I869 PolarHBondContact O-N 3.03Å; S865-I869 VanDerWaalsContact O-N 3.15Å; E867-I869 VanDerWaalsContact C-N 3.31Å; E867-I869 PolarHBondContact O-N 2.97Å; I869-Q873 WeakPolarHBondContact O-CB 3.5Å; I869-Q873 WeakPolarHBondContact O-CG 3.45Å; I869-Q873 PolarHBondContact O-N 3.1Å; I869-I1169 HydrophobicContact CB-CG2 4.43Å; I869-I1169 HydrophobicContact CG1-CD1 4.2Å; I869-I1169 HydrophobicContact CG2-CG2 3.9Å; I869-M1175 HydrophobicContact CD1-CB 3.77Å; I869-M1175 HydrophobicContact CD1-CG 3.52Å; I869-M1175 HydrophobicContact CG1-CG 4.26Å; I869-V1671 HydrophobicContact CD1-CB 4.43Å; I869-V1671 HydrophobicContact CD1-CG1 4.02Å; I869-V1671 HydrophobicContact CD1-CG2 4.49Å; I869-F1673 HydrophobicContact CB-CE1 4.43Å; I869-F1673 HydrophobicContact CB-CZ 3.85Å; I869-F1673 HydrophobicContact CD1-CE2 4.28Å; I869-F1673 HydrophobicContact CD1-CZ 3.87Å; I869-F1673 HydrophobicContact CG1-CZ 4.49Å; I869-F1673 HydrophobicContact CG2-CE1 4.43Å; I869-F1673 HydrophobicContact CG2-CZ 3.7Å |
| 870 | A | 90.1 | Very high | 91.4 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 10% | 0.099 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.8 | -47.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P866 E867 Q873 A874 P1991 | P866-A870 WeakPolarHBondContact O-CB 3.31Å; P866-A870 PolarHBondContact O-N 2.69Å; E867-A870 PolarHBondContact O-N 3.17Å; A870-Q873 PolarHBondContact O-N 3.22Å; A870-A874 WeakPolarHBondContact O-CB 3.2Å; A870-A874 PolarHBondContact O-N 2.89Å; A870-P1991 HydrophobicContact CB-CG 3.98Å |
| 871 | K | 91.7 | Very high | 91.4 | Very high | 47 Ų | 47 | 27.9 Ų | 27.9 | 20% | 0.204 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | -178.8 | -64.5 | -63.4 | -178.5 | 180 | 0 | 111.9 | E867 A874 A875 M886 F887 | E867-K871 HydrophobicContact CG-CG 4.33Å; E867-K871 WeakPolarHBondContact O-CG 3.27Å; E867-K871 PolarHBondContact O-N 2.88Å; K871-A874 PolarHBondContact O-N 2.73Å; K871-A875 WeakPolarHBondContact O-CB 3.35Å; K871-A875 PolarHBondContact O-N 3.42Å; K871-M886 HydrophobicContact CD-CB 4.17Å; K871-M886 HydrophobicContact CD-SD 4.3Å; K871-M886 HydrophobicContact CG-CB 4.47Å; K871-F887 HydrophobicContact CB-CB 3.82Å |
| 872 | L | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 175 | -179 | 55.5 | 0 | 0 | 0 | 112.1 | V868 A875 S876 F887 A1166 I1169 V1170 Y1209 | V868-L872 VanDerWaalsContact O-CB 3.3Å; V868-L872 WeakPolarHBondContact O-CB 3.13Å; V868-L872 PolarHBondContact O-N 2.97Å; L872-A875 PolarHBondContact O-N 2.8Å; L872-S876 WeakPolarHBondContact O-CB 3.23Å; L872-S876 PolarHBondContact O-N 3.47Å; L872-S876 PolarHBondContact O-OG 2.78Å; L872-F887 HydrophobicContact CB-CD2 3.66Å; L872-F887 HydrophobicContact CB-CE2 3.93Å; L872-F887 HydrophobicContact CB-CG 4.17Å; L872-F887 HydrophobicContact CD1-CD1 4.2Å; L872-F887 HydrophobicContact CD1-CD2 4.27Å; L872-F887 HydrophobicContact CD1-CE1 4.06Å; L872-F887 HydrophobicContact CD1-CE2 4.12Å; L872-F887 HydrophobicContact CD1-CG 4.3Å; L872-F887 HydrophobicContact CD1-CZ 4.01Å; L872-F887 HydrophobicContact CD2-CE2 4.01Å; L872-F887 HydrophobicContact CD2-CZ 4.3Å; L872-F887 HydrophobicContact CG-CD2 4.38Å; L872-F887 HydrophobicContact CG-CE2 4.23Å; L872-A1166 HydrophobicContact CD2-CB 4.14Å; L872-I1169 HydrophobicContact CB-CG2 4.39Å; L872-I1169 HydrophobicContact CD2-CB 4.2Å; L872-I1169 HydrophobicContact CD2-CG2 3.79Å; L872-I1169 HydrophobicContact CG-CG2 4.24Å; L872-V1170 HydrophobicContact CD1-CG2 4.05Å; L872-V1170 HydrophobicContact CD2-CG2 4.24Å; L872-V1170 HydrophobicContact CG-CG2 3.92Å; L872-Y1209 HydrophobicContact CD1-CD2 3.46Å; L872-Y1209 VanDerWaalsContact CD1-CD2 3.46Å; L872-Y1209 HydrophobicContact CD1-CE2 3.63Å; L872-Y1209 HydrophobicContact CD1-CG 4.39Å |
| 873 | Q | 92.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -43.1 | 176 | -75.3 | -179.7 | -5 | 0 | 0 | 112 | I869 A870 S876 R877 I1169 G1172 C1173 | I869-Q873 WeakPolarHBondContact O-CB 3.5Å; I869-Q873 WeakPolarHBondContact O-CG 3.45Å; I869-Q873 PolarHBondContact O-N 3.1Å; A870-Q873 PolarHBondContact O-N 3.22Å; Q873-S876 PolarHBondContact O-OG 3.3Å; Q873-R877 WeakPolarHBondContact O-CB 3.22Å; Q873-R877 VanDerWaalsContact O-CG 3.26Å; Q873-R877 WeakPolarHBondContact O-CG 3.5Å; Q873-R877 PolarHBondContact O-N 3.49Å; Q873-I1169 HydrophobicContact CG-CG2 4.03Å; Q873-I1169 VanDerWaalsContact CG-O 3.26Å; Q873-I1169 WeakPolarHBondContact CG-O 3.4Å; Q873-I1169 PolarHBondContact NE2-O 3Å; Q873-G1172 PolarHBondContact NE2-O 2.8Å; Q873-C1173 PolarHBondContact NE2-O 3.36Å; Q873-C1173 VanDerWaalsContact NE2-O 3.14Å |
| 874 | A | 89.1 | Confident | 91.1 | Very high | 15 Ų | 15 | 33.5 Ų | 33.5 | 12% | 0.124 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | A870 K871 N878 A883 | A870-A874 WeakPolarHBondContact O-CB 3.2Å; A870-A874 PolarHBondContact O-N 2.89Å; K871-A874 PolarHBondContact O-N 2.73Å; A874-N878 WeakPolarHBondContact O-CB 3.26Å; A874-N878 PolarHBondContact O-N 3.31Å; A874-N878 VanDerWaalsContact O-N 3.09Å; A874-A883 HydrophobicContact CB-CB 4.35Å |
| 875 | A | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K871 L872 N879 S880 A883 Y884 L1212 | K871-A875 WeakPolarHBondContact O-CB 3.35Å; K871-A875 PolarHBondContact O-N 3.42Å; L872-A875 PolarHBondContact O-N 2.8Å; A875-N879 CarbonylContact O-C 3.52Å; A875-N879 VanDerWaalsContact O-CA 3.23Å; A875-N879 WeakPolarHBondContact O-CA 3.3Å; A875-N879 PolarHBondContact O-N 3.24Å; A875-S880 PolarHBondContact O-N 3.27Å; A875-A883 HydrophobicContact CB-CB 3.97Å; A875-Y884 HydrophobicContact CB-CD2 4.19Å; A875-L1212 HydrophobicContact CB-CD1 4.44Å |
| 876 | S | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | -177.7 | 62 | 0 | 0 | 0 | 0 | 114 | L872 Q873 H1205 N1208 | L872-S876 WeakPolarHBondContact O-CB 3.23Å; L872-S876 PolarHBondContact O-N 3.47Å; L872-S876 PolarHBondContact O-OG 2.78Å; Q873-S876 PolarHBondContact O-OG 3.3Å; S876-H1205 WeakPolarHBondContact CB-O 3.13Å; S876-N1208 WeakPolarHBondContact O-CB 3.11Å; S876-N1208 PolarHBondContact O-ND2 3.5Å |
| 877 | R | 89.7 | Confident | 91.4 | Very high | 54 Ų | 54 | 40.7 Ų | 40.7 | 20% | 0.204 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -42.8 | 179.6 | -71.7 | 178.3 | -179 | 168.8 | 2.1 | 113.1 | Q873 | Q873-R877 WeakPolarHBondContact O-CB 3.22Å; Q873-R877 VanDerWaalsContact O-CG 3.26Å; Q873-R877 WeakPolarHBondContact O-CG 3.5Å; Q873-R877 PolarHBondContact O-N 3.49Å |
| 878 | N | 87 | Confident | 91.7 | Very high | 58 Ų | 58 | 36.6 Ų | 36.6 | 31% | 0.31 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -94.4 | 1.1 | -174.8 | -60.1 | -16.2 | 0 | 0 | 0 | 112.8 | A874 S880 N1986 | A874-N878 WeakPolarHBondContact O-CB 3.26Å; A874-N878 PolarHBondContact O-N 3.31Å; A874-N878 VanDerWaalsContact O-N 3.09Å; N878-S880 PolarHBondContact O-N 3.26Å; N878-N1986 PolarHBondContact ND2-O 3.4Å; N878-N1986 PolarHBondContact OD1-OD1 3.19Å |
| 879 | N | 91.5 | Very high | 91.8 | Very high | 84 Ų | 84 | 43.1 Ų | 43.1 | 45% | 0.449 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 46.8 | -170.2 | -164.5 | 28.5 | 0 | 0 | 0 | 112.5 | A875 N1208 | A875-N879 CarbonylContact O-C 3.52Å; A875-N879 VanDerWaalsContact O-CA 3.23Å; A875-N879 WeakPolarHBondContact O-CA 3.3Å; A875-N879 PolarHBondContact O-N 3.24Å; N879-N1208 HydrophobicContact CB-CB 4.34Å |
| 880 | S | 88.8 | Confident | 91.7 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | trans | -102.2 | 113.2 | -170 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | A875 N878 E882 A883 Y884 | A875-S880 PolarHBondContact O-N 3.27Å; N878-S880 PolarHBondContact O-N 3.26Å; S880-E882 VanDerWaalsContact C-N 3.3Å; S880-E882 PolarHBondContact O-N 3.38Å; S880-A883 PolarHBondContact O-N 2.75Å; S880-A883 PolarHBondContact OG-N 3.37Å; S880-Y884 WeakPolarHBondContact O-CB 3.44Å; S880-Y884 PolarHBondContact O-N 2.83Å | ||
| 881 | H | 90.1 | Very high | 91.9 | Very high | 102 Ų | 102 | 43.6 Ų | 43.6 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -37.2 | 173 | -77.5 | -91.1 | 0 | 0 | 0 | 112.6 | Y884 N885 | H881-Y884 WeakPolarHBondContact O-CB 3.21Å; H881-Y884 PolarHBondContact O-N 3.39Å; H881-N885 PolarHBondContact O-N 2.79Å; H881-N885 PolarHBondContact O-ND2 2.99Å |
| 882 | E | 89.3 | Confident | 92 | Very high | 150 Ų | 150 | 42 Ų | 42 | 70% | 0.701 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.9 | -48.3 | 178.3 | -173.3 | -179.4 | -179.8 | 0 | 0 | 111.1 | S880 Y884 N885 M886 | S880-E882 VanDerWaalsContact C-N 3.3Å; S880-E882 PolarHBondContact O-N 3.38Å; E882-Y884 VanDerWaalsContact C-N 3.27Å; E882-Y884 PolarHBondContact O-N 3.25Å; E882-N885 PolarHBondContact O-N 2.95Å; E882-M886 WeakPolarHBondContact O-CG 3.23Å; E882-M886 PolarHBondContact O-N 2.76Å |
| 883 | A | 87.8 | Confident | 91.8 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A874 A875 S880 M886 F887 | A874-A883 HydrophobicContact CB-CB 4.35Å; A875-A883 HydrophobicContact CB-CB 3.97Å; S880-A883 PolarHBondContact O-N 2.75Å; S880-A883 PolarHBondContact OG-N 3.37Å; A883-M886 PolarHBondContact O-N 2.76Å; A883-F887 PolarHBondContact O-N 3.03Å |
| 884 | Y | 94.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 174.4 | -168.6 | -100.8 | 0 | 0 | 0 | 111.7 | A875 S880 H881 E882 M886 F887 V888 Y1209 L1212 L1213 E1216 | A875-Y884 HydrophobicContact CB-CD2 4.19Å; S880-Y884 WeakPolarHBondContact O-CB 3.44Å; S880-Y884 PolarHBondContact O-N 2.83Å; H881-Y884 WeakPolarHBondContact O-CB 3.21Å; H881-Y884 PolarHBondContact O-N 3.39Å; E882-Y884 VanDerWaalsContact C-N 3.27Å; E882-Y884 PolarHBondContact O-N 3.25Å; Y884-M886 VanDerWaalsContact C-N 3.32Å; Y884-M886 PolarHBondContact O-N 3.14Å; Y884-F887 AromaticContact CD2-CD1 3.91Å; Y884-F887 HydrophobicContact CD2-CD1 3.91Å; Y884-F887 HydrophobicContact CD2-CE1 4.44Å; Y884-F887 AromaticContact CE2-CD1 3.76Å; Y884-F887 HydrophobicContact CE2-CD1 3.76Å; Y884-F887 AromaticContact CE2-CE1 3.83Å; Y884-F887 HydrophobicContact CE2-CE1 3.83Å; Y884-F887 CarbonylContact O-C 3.3Å; Y884-F887 WeakPolarHBondContact O-CA 3.5Å; Y884-F887 VanDerWaalsContact O-CB 3.3Å; Y884-F887 WeakPolarHBondContact O-CB 3.41Å; Y884-F887 PolarHBondContact O-N 2.98Å; Y884-V888 HydrophobicContact CD1-CG2 3.81Å; Y884-V888 HydrophobicContact CE1-CG2 3.44Å; Y884-V888 VanDerWaalsContact CE1-CG2 3.44Å; Y884-V888 WeakPolarHBondContact O-CG2 3.48Å; Y884-V888 PolarHBondContact O-N 3.1Å; Y884-Y1209 HydrophobicContact CE2-CD2 4.01Å; Y884-Y1209 HydrophobicContact CE2-CE2 4.13Å; Y884-L1212 HydrophobicContact CD1-CB 4.1Å; Y884-L1212 HydrophobicContact CD2-CB 3.68Å; Y884-L1212 HydrophobicContact CD2-CD1 3.98Å; Y884-L1212 HydrophobicContact CD2-CG 4.38Å; Y884-L1212 HydrophobicContact CE1-CB 4.26Å; Y884-L1212 HydrophobicContact CE2-CB 3.86Å; Y884-L1212 HydrophobicContact CG-CB 3.81Å; Y884-L1212 HydrophobicContact CG-CD1 4.22Å; Y884-L1212 HydrophobicContact CG-CD2 4.43Å; Y884-L1212 HydrophobicContact CG-CG 4.38Å; Y884-L1213 VanDerWaalsContact OH-CA 3.22Å; Y884-L1213 WeakPolarHBondContact OH-CA 3.43Å; Y884-L1213 VanDerWaalsContact OH-CD1 3.25Å; Y884-L1213 WeakPolarHBondContact OH-CD1 3.35Å; Y884-E1216 HydrophobicContact CE1-CB 4.14Å; Y884-E1216 WeakPolarHBondContact CE1-OE2 3.42Å; Y884-E1216 PolarHBondContact OH-OE2 3Å; Y884-E1216 VanDerWaalsContact OH-OE2 3.09Å |
| 885 | N | 94.7 | Very high | 92 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.6 | -40.3 | 176.9 | -69.5 | -17.1 | 0 | 0 | 0 | 111.8 | H881 E882 F887 V888 Q889 | H881-N885 PolarHBondContact O-N 2.79Å; H881-N885 PolarHBondContact O-ND2 2.99Å; E882-N885 PolarHBondContact O-N 2.95Å; N885-F887 VanDerWaalsContact C-N 3.34Å; N885-V888 PolarHBondContact O-N 2.81Å; N885-Q889 PolarHBondContact O-N 2.89Å |
| 886 | M | 91.8 | Very high | 92 | Very high | 77 Ų | 77 | 51 Ų | 51 | 38% | 0.379 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 172.1 | -64.7 | -176 | 84.7 | 0 | 0 | 111.7 | K871 E882 A883 Y884 Q889 V890 | K871-M886 HydrophobicContact CD-CB 4.17Å; K871-M886 HydrophobicContact CD-SD 4.3Å; K871-M886 HydrophobicContact CG-CB 4.47Å; E882-M886 WeakPolarHBondContact O-CG 3.23Å; E882-M886 PolarHBondContact O-N 2.76Å; A883-M886 PolarHBondContact O-N 2.76Å; Y884-M886 VanDerWaalsContact C-N 3.32Å; Y884-M886 PolarHBondContact O-N 3.14Å; M886-Q889 PolarHBondContact O-N 2.78Å; M886-V890 WeakPolarHBondContact O-CG2 3.26Å; M886-V890 PolarHBondContact O-N 3.45Å |
| 887 | F | 94.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 174.2 | 152.6 | -102 | 0 | 0 | 0 | 111.4 | V868 K871 L872 A883 Y884 N885 Q889 V890 A891 R1145 T1146 | V868-F887 HydrophobicContact CG1-CD2 3.98Å; V868-F887 HydrophobicContact CG1-CE2 3.77Å; K871-F887 HydrophobicContact CB-CB 3.82Å; L872-F887 HydrophobicContact CB-CD2 3.66Å; L872-F887 HydrophobicContact CB-CE2 3.93Å; L872-F887 HydrophobicContact CB-CG 4.17Å; L872-F887 HydrophobicContact CD1-CD1 4.2Å; L872-F887 HydrophobicContact CD1-CD2 4.27Å; L872-F887 HydrophobicContact CD1-CE1 4.06Å; L872-F887 HydrophobicContact CD1-CE2 4.12Å; L872-F887 HydrophobicContact CD1-CG 4.3Å; L872-F887 HydrophobicContact CD1-CZ 4.01Å; L872-F887 HydrophobicContact CD2-CE2 4.01Å; L872-F887 HydrophobicContact CD2-CZ 4.3Å; L872-F887 HydrophobicContact CG-CD2 4.38Å; L872-F887 HydrophobicContact CG-CE2 4.23Å; A883-F887 PolarHBondContact O-N 3.03Å; Y884-F887 AromaticContact CD2-CD1 3.91Å; Y884-F887 HydrophobicContact CD2-CD1 3.91Å; Y884-F887 HydrophobicContact CD2-CE1 4.44Å; Y884-F887 AromaticContact CE2-CD1 3.76Å; Y884-F887 HydrophobicContact CE2-CD1 3.76Å; Y884-F887 AromaticContact CE2-CE1 3.83Å; Y884-F887 HydrophobicContact CE2-CE1 3.83Å; Y884-F887 CarbonylContact O-C 3.3Å; Y884-F887 WeakPolarHBondContact O-CA 3.5Å; Y884-F887 VanDerWaalsContact O-CB 3.3Å; Y884-F887 WeakPolarHBondContact O-CB 3.41Å; Y884-F887 PolarHBondContact O-N 2.98Å; N885-F887 VanDerWaalsContact C-N 3.34Å; F887-Q889 VanDerWaalsContact C-N 3.33Å; F887-Q889 PolarHBondContact O-N 3.09Å; F887-V890 PolarHBondContact O-N 2.86Å; F887-A891 HydrophobicContact CD2-CB 4.16Å; F887-A891 HydrophobicContact CE2-CB 3.78Å; F887-A891 HydrophobicContact CZ-CB 4.07Å; F887-A891 WeakPolarHBondContact O-CB 3.27Å; F887-A891 PolarHBondContact O-N 3.01Å; F887-R1145 HydrophobicContact CZ-CB 4.15Å; F887-R1145 WeakPolarHBondContact CZ-O 3.12Å; F887-T1146 HydrophobicContact CE1-CG2 3.95Å; F887-T1146 HydrophobicContact CZ-CG2 4.02Å |
| 888 | V | 96.6 | Very high | 92 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 10% | 0.103 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 179.9 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | Y884 N885 V890 A891 D892 T1146 E1216 | Y884-V888 HydrophobicContact CD1-CG2 3.81Å; Y884-V888 HydrophobicContact CE1-CG2 3.44Å; Y884-V888 VanDerWaalsContact CE1-CG2 3.44Å; Y884-V888 WeakPolarHBondContact O-CG2 3.48Å; Y884-V888 PolarHBondContact O-N 3.1Å; N885-V888 PolarHBondContact O-N 2.81Å; V888-V890 PolarHBondContact O-N 2.94Å; V888-A891 PolarHBondContact O-N 2.84Å; V888-D892 VanDerWaalsContact O-CB 3.29Å; V888-D892 WeakPolarHBondContact O-CB 3.35Å; V888-D892 PolarHBondContact O-N 3.45Å; V888-T1146 HydrophobicContact CG2-CG2 4.33Å; V888-E1216 WeakPolarHBondContact CG1-OE1 3.2Å; V888-E1216 WeakPolarHBondContact CG2-OE2 3.46Å |
| 889 | Q | 94.6 | Very high | 92.4 | Very high | 138 Ų | 138 | 47.8 Ų | 47.8 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -56.6 | -49.4 | 179.4 | -175.3 | 178.6 | -1.5 | 0 | 0 | 112.2 | N885 M886 F887 E893 | N885-Q889 PolarHBondContact O-N 2.89Å; M886-Q889 PolarHBondContact O-N 2.78Å; F887-Q889 VanDerWaalsContact C-N 3.33Å; F887-Q889 PolarHBondContact O-N 3.09Å; Q889-E893 PolarHBondContact O-N 3.4Å; Q889-E893 VanDerWaalsContact O-N 3.15Å |
| 890 | V | 92.1 | Very high | 92.6 | Very high | 22 Ų | 22 | 43.9 Ų | 43.9 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73 | -38.1 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 111.2 | E867 V868 M886 F887 V888 E893 C894 | E867-V890 HydrophobicContact CB-CG1 4.39Å; E867-V890 HydrophobicContact CG-CG1 4.22Å; E867-V890 HydrophobicContact CG-CG2 4.22Å; V868-V890 HydrophobicContact CG2-CB 4.17Å; V868-V890 HydrophobicContact CG2-CG1 3.56Å; M886-V890 WeakPolarHBondContact O-CG2 3.26Å; M886-V890 PolarHBondContact O-N 3.45Å; F887-V890 PolarHBondContact O-N 2.86Å; V888-V890 PolarHBondContact O-N 2.94Å; V890-E893 PolarHBondContact O-N 3.13Å; V890-C894 PolarHBondContact O-N 2.9Å; V890-C894 PolarHBondContact O-SG 2.63Å |
| 891 | A | 94.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V868 F887 V888 C894 S895 T1146 | V868-A891 HydrophobicContact CG1-CB 4.39Å; F887-A891 HydrophobicContact CD2-CB 4.16Å; F887-A891 HydrophobicContact CE2-CB 3.78Å; F887-A891 HydrophobicContact CZ-CB 4.07Å; F887-A891 WeakPolarHBondContact O-CB 3.27Å; F887-A891 PolarHBondContact O-N 3.01Å; V888-A891 PolarHBondContact O-N 2.84Å; A891-C894 PolarHBondContact O-N 2.87Å; A891-S895 WeakPolarHBondContact O-CB 3.21Å; A891-S895 PolarHBondContact O-N 3.14Å; A891-T1146 HydrophobicContact CB-CG2 3.8Å |
| 892 | D | 93 | Very high | 93.1 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -40 | 174.3 | -85.8 | 3.2 | 0 | 0 | 0 | 111.3 | V888 S895 R896 T1146 R1148 | V888-D892 VanDerWaalsContact O-CB 3.29Å; V888-D892 WeakPolarHBondContact O-CB 3.35Å; V888-D892 PolarHBondContact O-N 3.45Å; D892-S895 WeakPolarHBondContact O-CB 3.12Å; D892-S895 PolarHBondContact O-N 3.06Å; D892-R896 WeakPolarHBondContact O-CG 3.27Å; D892-R896 PolarHBondContact O-N 3.02Å; D892-T1146 PolarHBondContact OD1-OG1 3.45Å; D892-R1148 WeakPolarHBondContact OD2-CD 3.46Å |
| 893 | E | 91 | Very high | 93.4 | Very high | 102 Ų | 102 | 30.9 Ų | 30.9 | 48% | 0.477 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.1 | -50.8 | 173.5 | -172.2 | 169.1 | -165.1 | 0 | 0 | 111.2 | Q889 V890 S895 R896 H897 | Q889-E893 PolarHBondContact O-N 3.4Å; Q889-E893 VanDerWaalsContact O-N 3.15Å; V890-E893 PolarHBondContact O-N 3.13Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 2.55Å; E893-R896 WeakPolarHBondContact O-CB 3.14Å; E893-R896 PolarHBondContact O-N 3.21Å; E893-R896 VanDerWaalsContact O-N 3.17Å; E893-H897 PolarHBondContact O-CD2 2.84Å; E893-H897 VanDerWaalsContact O-CD2 3.22Å; E893-H897 PolarHBondContact O-N 3.06Å |
| 894 | C | 92.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 30.3 Ų | 30.3 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 174.1 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | V890 A891 R896 H897 C898 | V890-C894 PolarHBondContact O-N 2.9Å; V890-C894 PolarHBondContact O-SG 2.63Å; A891-C894 PolarHBondContact O-N 2.87Å; C894-R896 VanDerWaalsContact C-N 3.3Å; C894-R896 PolarHBondContact O-N 3.08Å; C894-H897 PolarHBondContact O-N 3.08Å; C894-H897 VanDerWaalsContact O-N 3.15Å; C894-C898 PolarHBondContact O-N 3.27Å; C894-C898 VanDerWaalsContact O-N 3.1Å; C894-C898 PolarHBondContact O-SG 3.4Å; C894-C898 VanDerWaalsContact O-SG 3.41Å |
| 895 | S | 93 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 111.7 | A891 D892 E893 H897 C898 T899 | A891-S895 WeakPolarHBondContact O-CB 3.21Å; A891-S895 PolarHBondContact O-N 3.14Å; D892-S895 WeakPolarHBondContact O-CB 3.12Å; D892-S895 PolarHBondContact O-N 3.06Å; E893-S895 VanDerWaalsContact C-N 3.29Å; E893-S895 PolarHBondContact O-N 2.55Å; S895-H897 VanDerWaalsContact C-N 3.29Å; S895-H897 PolarHBondContact O-N 3.47Å; S895-C898 PolarHBondContact O-N 3.07Å; S895-T899 PolarHBondContact O-N 2.85Å; S895-T899 PolarHBondContact O-OG1 3.49Å; S895-T899 PolarHBondContact OG-OG1 3.18Å; S895-T899 VanDerWaalsContact OG-OG1 3.1Å |
| 896 | R | 91.6 | Very high | 93.8 | Very high | 92 Ų | 92 | 28.5 Ų | 28.5 | 35% | 0.347 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -63.9 | -28.6 | 175.9 | -68 | 164.5 | -174.1 | 170.1 | 5 | 113.6 | D892 E893 C894 G902 Q903 L1246 | D892-R896 WeakPolarHBondContact O-CG 3.27Å; D892-R896 PolarHBondContact O-N 3.02Å; E893-R896 WeakPolarHBondContact O-CB 3.14Å; E893-R896 PolarHBondContact O-N 3.21Å; E893-R896 VanDerWaalsContact O-N 3.17Å; C894-R896 VanDerWaalsContact C-N 3.3Å; C894-R896 PolarHBondContact O-N 3.08Å; R896-G902 WeakPolarHBondContact CG-O 3.49Å; R896-Q903 PolarHBondContact O-NE2 2.92Å; R896-L1246 HydrophobicContact CB-CD1 3.66Å; R896-L1246 WeakPolarHBondContact O-CD1 3.24Å |
| 897 | H | 91.2 | Very high | 93.9 | Very high | 32 Ų | 32 | 27.9 Ų | 27.9 | 15% | 0.148 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -84.6 | -25.9 | 175.1 | -72.3 | -78.6 | 0 | 0 | 0 | 113.3 | E526 N861 E893 C894 S895 | E526-H897 IonicContact OE1-CE1 3.9Å; E526-H897 PolarHBondContact OE1-CE1 3.12Å; E526-H897 IonicContact OE1-ND1 3.39Å; E526-H897 PolarHBondContact OE1-ND1 3.21Å; E526-H897 VanDerWaalsContact OE1-ND1 3.16Å; N861-H897 HydrophobicContact CB-CB 3.95Å; E893-H897 PolarHBondContact O-CD2 2.84Å; E893-H897 VanDerWaalsContact O-CD2 3.22Å; E893-H897 PolarHBondContact O-N 3.06Å; C894-H897 PolarHBondContact O-N 3.08Å; C894-H897 VanDerWaalsContact O-N 3.15Å; S895-H897 VanDerWaalsContact C-N 3.29Å; S895-H897 PolarHBondContact O-N 3.47Å |
| 898 | C | 93.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.027 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -105.6 | -28.4 | -169.4 | -63.2 | 0 | 0 | 0 | 0 | 115.5 | P520 L521 M863 C894 S895 | P520-C898 WeakPolarHBondContact CA-O 3.23Å; P520-C898 HydrophobicContact CG-CB 4.34Å; L521-C898 PolarHBondContact N-O 3.01Å; M863-C898 HydrophobicContact CG-CB 3.79Å; C894-C898 PolarHBondContact O-N 3.27Å; C894-C898 VanDerWaalsContact O-N 3.1Å; C894-C898 PolarHBondContact O-SG 3.4Å; C894-C898 VanDerWaalsContact O-SG 3.41Å; S895-C898 PolarHBondContact O-N 3.07Å |
| 899 | T | 94.9 | Very high | 93.7 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | trans | -127.8 | 159.9 | -159.9 | 69.6 | 0 | 0 | 0 | 0 | 114.3 | L524 M863 S895 R901 G902 Q903 | L524-T899 VanDerWaalsContact CD1-O 3.31Å; L524-T899 WeakPolarHBondContact CD1-O 3.47Å; M863-T899 HydrophobicContact CE-CG2 4.33Å; M863-T899 HydrophobicContact CG-CG2 4.38Å; M863-T899 HydrophobicContact SD-CG2 3.56Å; M863-T899 VanDerWaalsContact SD-CG2 3.56Å; S895-T899 PolarHBondContact O-N 2.85Å; S895-T899 PolarHBondContact O-OG1 3.49Å; S895-T899 PolarHBondContact OG-OG1 3.18Å; S895-T899 VanDerWaalsContact OG-OG1 3.1Å; T899-R901 WeakPolarHBondContact OG1-CG 3.26Å; T899-G902 PolarHBondContact O-N 2.73Å; T899-G902 PolarHBondContact OG1-N 3.32Å; T899-Q903 PolarHBondContact O-NE2 3.47Å | ||
| 900 | L | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -66.9 | -42.5 | 173.4 | -64.4 | -178.2 | 0 | 0 | 0 | 111.4 | L521 L524 G902 Q903 P1115 E1117 L1118 L1255 | L521-L900 HydrophobicContact CD1-CD1 4.39Å; L521-L900 HydrophobicContact CD1-CD2 3.96Å; L521-L900 HydrophobicContact CD1-CG 3.79Å; L524-L900 HydrophobicContact CD1-CD2 4.47Å; L900-G902 PolarHBondContact O-N 3.4Å; L900-Q903 WeakPolarHBondContact O-CB 3.49Å; L900-Q903 PolarHBondContact O-N 3.29Å; L900-P1115 HydrophobicContact CD1-CB 3.99Å; L900-P1115 HydrophobicContact CD1-CG 4.05Å; L900-P1115 HydrophobicContact CG-CB 4.49Å; L900-P1115 HydrophobicContact CG-CG 4.49Å; L900-E1117 HydrophobicContact CB-CB 4.46Å; L900-E1117 HydrophobicContact CB-CG 4.36Å; L900-L1118 HydrophobicContact CD1-CD1 4.27Å; L900-L1118 HydrophobicContact CD1-CD2 4.32Å; L900-L1118 HydrophobicContact CD1-CG 4.03Å; L900-L1255 HydrophobicContact CD2-CD2 4.39Å |
| 901 | R | 95.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -59.6 | -25.6 | 172.6 | 65.5 | -168.2 | 174.5 | -89.1 | 13.7 | 113.2 | T899 Q903 L904 D1098 E1117 Q1143 R1148 D1149 I1152 | T899-R901 WeakPolarHBondContact OG1-CG 3.26Å; R901-Q903 PolarHBondContact O-N 2.87Å; R901-L904 PolarHBondContact O-N 3.24Å; R901-D1098 IonicContact NH1-OD2 3.72Å; R901-D1098 IonicContact NH2-OD2 3.8Å; R901-D1098 PolarHBondContact NH2-OD2 3.42Å; R901-E1117 HydrophobicContact CB-CG 3.96Å; R901-E1117 VanDerWaalsContact CB-OE1 3.27Å; R901-E1117 WeakPolarHBondContact CB-OE1 3.37Å; R901-E1117 WeakPolarHBondContact CD-OE1 3.4Å; R901-E1117 WeakPolarHBondContact CG-OE1 3.45Å; R901-E1117 IonicContact CZ-OE1 2.64Å; R901-E1117 PolarHBondContact N-OE1 3.25Å; R901-E1117 IonicContact NE-OE1 3.48Å; R901-E1117 IonicContact NH1-OE1 3.73Å; R901-E1117 PolarHBondContact NH1-OE1 3.24Å; R901-E1117 IonicContact NH1-OE2 3.39Å; R901-Q1143 PolarHBondContact NH2-O 2.75Å; R901-R1148 PolarHBondContact O-NH1 3.29Å; R901-R1148 VanDerWaalsContact O-NH1 3.14Å; R901-R1148 PolarHBondContact O-NH2 3.47Å; R901-D1149 VanDerWaalsContact CD-OD1 3.26Å; R901-D1149 WeakPolarHBondContact CD-OD1 3.2Å; R901-D1149 IonicContact NE-OD1 3.08Å; R901-D1149 PolarHBondContact NE-OD1 3.3Å; R901-I1152 HydrophobicContact CB-CD1 4.12Å; R901-I1152 HydrophobicContact CB-CG2 4.09Å |
| 902 | G | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -64.3 | -22.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R896 T899 L900 | R896-G902 WeakPolarHBondContact CG-O 3.49Å; T899-G902 PolarHBondContact O-N 2.73Å; T899-G902 PolarHBondContact OG1-N 3.32Å; L900-G902 PolarHBondContact O-N 3.4Å |
| 903 | Q | 95 | Very high | 93.4 | Very high | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -91.9 | 1.7 | 179.3 | -49.8 | -42.7 | -59.6 | 0 | 0 | 113.5 | L524 R896 T899 L900 R901 R1242 L1255 | L524-Q903 HydrophobicContact CD2-CG 3.9Å; R896-Q903 PolarHBondContact O-NE2 2.92Å; T899-Q903 PolarHBondContact O-NE2 3.47Å; L900-Q903 WeakPolarHBondContact O-CB 3.49Å; L900-Q903 PolarHBondContact O-N 3.29Å; R901-Q903 PolarHBondContact O-N 2.87Å; Q903-R1242 VanDerWaalsContact O-CB 3.29Å; Q903-R1242 WeakPolarHBondContact O-CB 3.39Å; Q903-R1242 PolarHBondContact O-N 2.91Å; Q903-L1255 HydrophobicContact CB-CD1 3.8Å |
| 904 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 156.4 | 177.7 | -61.5 | 170.7 | 0 | 0 | 0 | 111 | R901 R1148 I1152 L1239 K1240 L1255 L1258 M1259 | R901-L904 PolarHBondContact O-N 3.24Å; L904-R1148 PolarHBondContact O-NH2 2.97Å; L904-I1152 HydrophobicContact CD1-CG2 4.25Å; L904-L1239 HydrophobicContact CD1-CD1 4.3Å; L904-K1240 CarbonylContact C-O 3.57Å; L904-K1240 WeakPolarHBondContact CA-O 3.47Å; L904-L1255 HydrophobicContact CD2-CB 4.45Å; L904-L1255 HydrophobicContact CD2-CD1 3.77Å; L904-L1255 HydrophobicContact CG-CD1 4.32Å; L904-L1258 HydrophobicContact CD1-CD2 3.71Å; L904-M1259 HydrophobicContact CD2-CG 4.49Å; L904-M1259 HydrophobicContact CD2-SD 3.86Å |
| 905 | D | 94.8 | Very high | 93.5 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 168.1 | 171.5 | -154.8 | -7.8 | 0 | 0 | 0 | 109.6 | L1239 K1240 R1242 | D905-L1239 CarbonylContact O-C 3.46Å; D905-L1239 WeakPolarHBondContact O-CA 3.41Å; D905-K1240 HydrophobicContact CB-CG 4.26Å; D905-K1240 PolarHBondContact N-O 3.35Å; D905-K1240 WeakPolarHBondContact O-CG 3.47Å; D905-K1240 PolarHBondContact O-N 3.23Å; D905-R1242 HydrophobicContact CB-CB 4.45Å |
| 906 | F | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 144.7 | -174.8 | -59.8 | -76.3 | 0 | 0 | 0 | 112.9 | Y908 R1148 V1151 I1152 I1155 Y1220 L1224 Y1238 L1239 K1240 | F906-Y908 HydrophobicContact CB-CD1 4.11Å; F906-Y908 HydrophobicContact CB-CD2 4.41Å; F906-Y908 HydrophobicContact CB-CE1 3.7Å; F906-Y908 HydrophobicContact CB-CE2 4.01Å; F906-Y908 HydrophobicContact CB-CG 4.46Å; F906-Y908 HydrophobicContact CD2-CE1 4.21Å; F906-Y908 AromaticContact CD2-CZ 3.85Å; F906-Y908 WeakPolarHBondContact CD2-OH 3.47Å; F906-Y908 HydrophobicContact CG-CE1 4.16Å; F906-Y908 PolarHBondContact O-N 3.43Å; F906-R1148 HydrophobicContact CE2-CG 3.91Å; F906-R1148 HydrophobicContact CZ-CG 4.05Å; F906-V1151 HydrophobicContact CE1-CB 4.29Å; F906-V1151 HydrophobicContact CE1-CG1 3.63Å; F906-V1151 HydrophobicContact CZ-CB 4.24Å; F906-V1151 HydrophobicContact CZ-CG1 4.02Å; F906-I1152 HydrophobicContact CE1-CG1 3.9Å; F906-I1152 HydrophobicContact CZ-CD1 4.3Å; F906-I1152 HydrophobicContact CZ-CG1 3.74Å; F906-I1155 HydrophobicContact CD1-CD1 4.08Å; F906-I1155 HydrophobicContact CE1-CD1 3.91Å; F906-Y1220 HydrophobicContact CD2-CD1 4.11Å; F906-Y1220 AromaticContact CD2-CE1 3.93Å; F906-Y1220 HydrophobicContact CD2-CE1 3.93Å; F906-Y1220 AromaticContact CE2-CD1 3.73Å; F906-Y1220 HydrophobicContact CE2-CD1 3.73Å; F906-Y1220 AromaticContact CE2-CE1 3.45Å; F906-Y1220 HydrophobicContact CE2-CE1 3.45Å; F906-Y1220 VanDerWaalsContact CE2-CE1 3.45Å; F906-Y1220 HydrophobicContact CZ-CD1 4.21Å; F906-Y1220 HydrophobicContact CZ-CE1 4.25Å; F906-L1224 HydrophobicContact CB-CD2 4.17Å; F906-L1224 HydrophobicContact CD1-CD2 4.36Å; F906-Y1238 CarbonylContact C-O 3.47Å; F906-Y1238 WeakPolarHBondContact CA-O 3.48Å; F906-L1239 HydrophobicContact CD1-CD2 3.97Å; F906-L1239 HydrophobicContact CE1-CD2 4.01Å; F906-K1240 VanDerWaalsContact O-CE 3.25Å; F906-K1240 WeakPolarHBondContact O-CE 3.44Å; F906-K1240 PolarHBondContact O-NZ 3.1Å |
| 907 | N | 94.2 | Very high | 93.5 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 30% | 0.295 | S | S | . | . | trans | -89.2 | 88.6 | 162.5 | -72.6 | -28.6 | 0 | 0 | 0 | 109 | E1237 Y1238 L1239 K1240 | N907-E1237 PolarHBondContact ND2-O 2.99Å; N907-Y1238 PolarHBondContact N-O 3.2Å; N907-L1239 PolarHBondContact ND2-O 3.2Å; N907-K1240 VanDerWaalsContact OD1-CD 3.23Å; N907-K1240 WeakPolarHBondContact OD1-CD 3.39Å; N907-K1240 VanDerWaalsContact OD1-CG 3.3Å; N907-K1240 WeakPolarHBondContact OD1-CG 3.11Å; N907-K1240 PolarHBondContact OD1-NZ 2.75Å | ||
| 908 | Y | 94.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | trans | -67.9 | 149.4 | 178.1 | -64.1 | -61.4 | 0 | 0 | 0 | 112.4 | F906 Y1220 R1223 L1224 | F906-Y908 HydrophobicContact CB-CD1 4.11Å; F906-Y908 HydrophobicContact CB-CD2 4.41Å; F906-Y908 HydrophobicContact CB-CE1 3.7Å; F906-Y908 HydrophobicContact CB-CE2 4.01Å; F906-Y908 HydrophobicContact CB-CG 4.46Å; F906-Y908 HydrophobicContact CD2-CE1 4.21Å; F906-Y908 AromaticContact CD2-CZ 3.85Å; F906-Y908 WeakPolarHBondContact CD2-OH 3.47Å; F906-Y908 HydrophobicContact CG-CE1 4.16Å; F906-Y908 PolarHBondContact O-N 3.43Å; Y908-Y1220 HydrophobicContact CE1-CD1 4.3Å; Y908-Y1220 WeakPolarHBondContact OH-CE1 3.49Å; Y908-R1223 HydrophobicContact CD1-CB 3.57Å; Y908-R1223 HydrophobicContact CE1-CB 3.76Å; Y908-R1223 HydrophobicContact CG-CB 4.46Å; Y908-R1223 PolarHBondContact OH-NH1 2.8Å; Y908-R1223 PolarHBondContact OH-NH2 3.49Å; Y908-L1224 HydrophobicContact CD1-CD2 4.11Å; Y908-L1224 HydrophobicContact CD1-CG 4.43Å; Y908-L1224 HydrophobicContact CE1-CD2 4.49Å | ||
| 909 | S | 92 | Very high | 93.8 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | trans | -69.6 | 144.1 | 172.1 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | K911 R1223 L1224 | S909-K911 PolarHBondContact O-N 3.27Å; S909-K911 PolarHBondContact OG-N 3Å; S909-K911 PolarHBondContact OG-O 3.1Å; S909-R1223 PolarHBondContact N-O 3.29Å; S909-R1223 VanDerWaalsContact N-O 3.11Å; S909-L1224 WeakPolarHBondContact CB-O 3.26Å | ||
| 910 | E | 91.7 | Very high | 93.9 | Very high | 194 Ų | 194 | 59.7 Ų | 59.7 | 91% | 0.907 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -64 | -23.5 | 169.2 | -63.8 | -174 | 169.2 | 0 | 0 | 112.1 | ||
| 911 | K | 90.7 | Very high | 93.9 | Very high | 174 Ų | 174 | 60.2 Ų | 60.2 | 76% | 0.757 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -124.2 | 91.2 | 178.9 | -65.3 | -179.2 | -176.3 | 176 | 0 | 110 | S909 | S909-K911 PolarHBondContact O-N 3.27Å; S909-K911 PolarHBondContact OG-N 3Å; S909-K911 PolarHBondContact OG-O 3.1Å |
| 912 | P | 91.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 144.2 | 172.3 | -25.7 | 35.8 | 0 | 0 | 0 | 112.2 | S1222 | P912-S1222 CarbonylContact C-O 3.6Å; P912-S1222 WeakPolarHBondContact CA-O 3.33Å; P912-S1222 WeakPolarHBondContact CB-O 3.43Å |
| 913 | L | 93.5 | Very high | 93.9 | Very high | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 139.6 | 171.5 | -88 | 163.8 | 0 | 0 | 0 | 110.3 | L915 L917 S1222 G1225 | L913-L915 PolarHBondContact O-N 3.19Å; L913-L917 HydrophobicContact CD2-CB 4.32Å; L913-L917 HydrophobicContact CD2-CD1 3.77Å; L913-S1222 PolarHBondContact N-O 2.94Å; L913-S1222 VanDerWaalsContact O-CB 3.31Å; L913-S1222 WeakPolarHBondContact O-CB 3.42Å; L913-S1222 PolarHBondContact O-OG 2.71Å; L913-G1225 VanDerWaalsContact CD1-O 3.28Å; L913-G1225 WeakPolarHBondContact CD1-O 3.34Å |
| 914 | P | 94 | Very high | 93.9 | Very high | 79 Ų | 79 | 67.4 Ų | 67.4 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 137.5 | 165.8 | -25 | 33.1 | 0 | 0 | 0 | 111.6 | D916 L917 | P914-D916 PolarHBondContact O-N 2.67Å; P914-D916 VanDerWaalsContact O-N 3.11Å; P914-L917 HydrophobicContact CG-CD1 4.4Å; P914-L917 PolarHBondContact O-N 2.72Å |
| 915 | L | 91.6 | Very high | 94 | Very high | 62 Ų | 62 | 67.4 Ų | 67.4 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -56.9 | -29 | -177.6 | -83.3 | 169.6 | 0 | 0 | 0 | 113.5 | L913 L917 V918 R1218 Q1219 | L913-L915 PolarHBondContact O-N 3.19Å; L915-L917 PolarHBondContact O-N 3.46Å; L915-V918 WeakPolarHBondContact O-CB 3.1Å; L915-V918 PolarHBondContact O-N 3.12Å; L915-V918 VanDerWaalsContact O-N 3.08Å; L915-R1218 HydrophobicContact CD2-CB 3.96Å; L915-R1218 WeakPolarHBondContact CD2-O 3.48Å; L915-R1218 PolarHBondContact O-NH2 2.87Å; L915-Q1219 HydrophobicContact CD2-CG 4.4Å |
| 916 | D | 92 | Very high | 94 | Very high | 151 Ų | 151 | 68.4 Ų | 68.4 | 81% | 0.807 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -67.2 | -20.5 | 179.2 | -58.3 | -32 | 0 | 0 | 0 | 113.3 | P914 | P914-D916 PolarHBondContact O-N 2.67Å; P914-D916 VanDerWaalsContact O-N 3.11Å |
| 917 | L | 93.5 | Very high | 94 | Very high | 108 Ų | 108 | 70.9 Ų | 70.9 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -89.2 | -9.8 | 174.7 | -60.7 | -178 | 0 | 0 | 0 | 112.8 | L913 P914 L915 S1227 | L913-L917 HydrophobicContact CD2-CB 4.32Å; L913-L917 HydrophobicContact CD2-CD1 3.77Å; P914-L917 HydrophobicContact CG-CD1 4.4Å; P914-L917 PolarHBondContact O-N 2.72Å; L915-L917 PolarHBondContact O-N 3.46Å; L917-S1227 WeakPolarHBondContact O-CB 3.31Å |
| 918 | V | 95.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 67.9 Ų | 67.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -85.1 | 141.4 | 176 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | L915 R1218 L1221 S1227 | L915-V918 WeakPolarHBondContact O-CB 3.1Å; L915-V918 PolarHBondContact O-N 3.12Å; L915-V918 VanDerWaalsContact O-N 3.08Å; V918-R1218 HydrophobicContact CG1-CB 4.06Å; V918-R1218 HydrophobicContact CG1-CG 4.07Å; V918-L1221 HydrophobicContact CG1-CB 3.72Å; V918-L1221 HydrophobicContact CG1-CD1 3.61Å; V918-L1221 HydrophobicContact CG1-CG 4.32Å; V918-L1221 HydrophobicContact CG2-CB 4.43Å; V918-S1227 CarbonylContact C-O 3.53Å; V918-S1227 WeakPolarHBondContact CA-O 3.15Å |
| 919 | E | 95 | Very high | 94.2 | Very high | 40 Ų | 40 | 64.4 Ų | 64.4 | 19% | 0.187 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -48.3 | 143 | 176.3 | 70 | 179 | 160.6 | 0 | 0 | 112.1 | I924 R1218 L1221 S1227 L1229 | E919-I924 HydrophobicContact CG-CD1 3.95Å; E919-I924 HydrophobicContact CG-CG1 3.76Å; E919-R1218 VanDerWaalsContact O-CD 3.31Å; E919-R1218 WeakPolarHBondContact O-CD 3.22Å; E919-R1218 WeakPolarHBondContact O-CG 3.5Å; E919-R1218 PolarHBondContact O-NE 2.9Å; E919-L1221 HydrophobicContact CG-CD1 4.45Å; E919-S1227 PolarHBondContact N-O 2.86Å; E919-L1229 VanDerWaalsContact OE1-CB 3.3Å; E919-L1229 WeakPolarHBondContact OE1-CB 3.42Å; E919-L1229 WeakPolarHBondContact OE1-CG 3.39Å; E919-L1229 PolarHBondContact OE1-N 2.64Å |
| 920 | S | 96.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 62.4 Ų | 62.4 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 154 | -173.8 | 76 | 0 | 0 | 0 | 0 | 112.1 | V922 E923 I924 | S920-V922 PolarHBondContact O-N 3.18Å; S920-V922 VanDerWaalsContact O-N 3.15Å; S920-E923 PolarHBondContact O-N 3.25Å; S920-E923 PolarHBondContact OG-N 2.67Å; S920-I924 PolarHBondContact O-N 3.32Å |
| 921 | A | 94.9 | Very high | 94.2 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -30.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E923 I924 V925 F1211 A1214 | A921-E923 VanDerWaalsContact C-N 3.33Å; A921-E923 PolarHBondContact O-N 3.15Å; A921-I924 PolarHBondContact O-N 3.41Å; A921-V925 WeakPolarHBondContact O-CG1 3.29Å; A921-V925 WeakPolarHBondContact O-CG2 3.06Å; A921-V925 PolarHBondContact O-N 3.17Å; A921-F1211 HydrophobicContact CB-CD1 4.1Å; A921-F1211 HydrophobicContact CB-CE1 4.46Å; A921-A1214 HydrophobicContact CB-CB 3.89Å |
| 922 | V | 95.5 | Very high | 94.2 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 46% | 0.461 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -35.1 | 176.3 | 178.6 | 0 | 0 | 0 | 0 | 112.3 | S920 V925 F1211 | S920-V922 PolarHBondContact O-N 3.18Å; S920-V922 VanDerWaalsContact O-N 3.15Å; V922-V925 VanDerWaalsContact O-CG2 3.3Å; V922-V925 WeakPolarHBondContact O-CG2 3.48Å; V922-F1211 HydrophobicContact CG2-CE1 4.04Å; V922-F1211 HydrophobicContact CG2-CZ 4.43Å |
| 923 | E | 94.6 | Very high | 94.4 | Very high | 89 Ų | 89 | 43.6 Ų | 43.6 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -78.3 | -34.9 | 175.2 | -68.1 | -52 | 133.1 | 0 | 0 | 111.9 | S920 A921 K926 | S920-E923 PolarHBondContact O-N 3.25Å; S920-E923 PolarHBondContact OG-N 2.67Å; A921-E923 VanDerWaalsContact C-N 3.33Å; A921-E923 PolarHBondContact O-N 3.15Å; E923-K926 PolarHBondContact O-N 3.17Å; E923-K926 IonicContact OE1-NZ 3.24Å; E923-K926 PolarHBondContact OE1-NZ 3.26Å; E923-K926 IonicContact OE2-NZ 2.82Å; E923-K926 PolarHBondContact OE2-NZ 3.06Å |
| 924 | I | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 178.5 | -67.1 | 169.1 | 0 | 0 | 0 | 111.4 | E919 S920 A921 K926 R927 F928 A1214 V1217 R1218 L1229 | E919-I924 HydrophobicContact CG-CD1 3.95Å; E919-I924 HydrophobicContact CG-CG1 3.76Å; S920-I924 PolarHBondContact O-N 3.32Å; A921-I924 PolarHBondContact O-N 3.41Å; I924-K926 PolarHBondContact O-N 3.5Å; I924-K926 VanDerWaalsContact O-N 3.12Å; I924-R927 WeakPolarHBondContact O-CB 3.4Å; I924-R927 PolarHBondContact O-N 3.28Å; I924-F928 HydrophobicContact CG2-CE1 4.24Å; I924-F928 HydrophobicContact CG2-CE2 4.14Å; I924-F928 HydrophobicContact CG2-CZ 3.66Å; I924-A1214 HydrophobicContact CB-CB 4.05Å; I924-A1214 HydrophobicContact CG2-CB 3.78Å; I924-V1217 HydrophobicContact CD1-CB 4.39Å; I924-V1217 HydrophobicContact CD1-CG1 4.05Å; I924-V1217 HydrophobicContact CG2-CB 4.44Å; I924-V1217 HydrophobicContact CG2-CG1 4.33Å; I924-R1218 HydrophobicContact CD1-CG 3.4Å; I924-R1218 VanDerWaalsContact CD1-CG 3.4Å; I924-L1229 HydrophobicContact CG1-CD1 4.26Å; I924-L1229 HydrophobicContact CG2-CD1 4.05Å |
| 925 | V | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -23.1 | -177.3 | -66.7 | 0 | 0 | 0 | 0 | 113.7 | A921 V922 R927 F928 L953 L1210 F1211 A1214 | A921-V925 WeakPolarHBondContact O-CG1 3.29Å; A921-V925 WeakPolarHBondContact O-CG2 3.06Å; A921-V925 PolarHBondContact O-N 3.17Å; V922-V925 VanDerWaalsContact O-CG2 3.3Å; V922-V925 WeakPolarHBondContact O-CG2 3.48Å; V925-R927 PolarHBondContact O-N 3.06Å; V925-F928 HydrophobicContact CB-CD2 4.27Å; V925-F928 HydrophobicContact CG1-CD2 4.14Å; V925-F928 HydrophobicContact CG1-CE2 4.25Å; V925-F928 WeakPolarHBondContact O-CB 3.41Å; V925-F928 PolarHBondContact O-N 3.28Å; V925-L953 HydrophobicContact CG2-CB 4.46Å; V925-L953 HydrophobicContact CG2-CD2 4.3Å; V925-L1210 HydrophobicContact CG1-CB 4.41Å; V925-F1211 HydrophobicContact CG1-CD1 4.24Å; V925-F1211 HydrophobicContact CG1-CE1 4.37Å; V925-F1211 HydrophobicContact CG2-CE1 4.39Å; V925-A1214 HydrophobicContact CG1-CB 3.69Å |
| 926 | K | 94.7 | Very high | 94.5 | Very high | 79 Ų | 79 | 35.4 Ų | 35.4 | 34% | 0.343 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.8 | 174.8 | -63.6 | 175.4 | -172.6 | 169.4 | 0 | 113.1 | E923 I924 F928 | E923-K926 PolarHBondContact O-N 3.17Å; E923-K926 IonicContact OE1-NZ 3.24Å; E923-K926 PolarHBondContact OE1-NZ 3.26Å; E923-K926 IonicContact OE2-NZ 2.82Å; E923-K926 PolarHBondContact OE2-NZ 3.06Å; I924-K926 PolarHBondContact O-N 3.5Å; I924-K926 VanDerWaalsContact O-N 3.12Å; K926-F928 VanDerWaalsContact C-N 3.3Å |
| 927 | R | 95.3 | Very high | 94.6 | Very high | 54 Ų | 54 | 29.1 Ų | 29.1 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.5 | 173.3 | -60.6 | 175.1 | 175.5 | -94.8 | 3.4 | 112.5 | I924 V925 D1159 E1160 F1161 | I924-R927 WeakPolarHBondContact O-CB 3.4Å; I924-R927 PolarHBondContact O-N 3.28Å; V925-R927 PolarHBondContact O-N 3.06Å; R927-D1159 PolarHBondContact NH1-O 3.08Å; R927-E1160 WeakPolarHBondContact O-CA 3.42Å; R927-F1161 HydrophobicContact CB-CD2 4.42Å; R927-F1161 PolarHBondContact O-N 2.84Å |
| 928 | F | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.7 | 178.3 | -57.6 | -24.3 | 0 | 0 | 0 | 111.2 | I924 V925 K926 M950 R956 V1150 F1161 M1163 L1210 L1213 A1214 | I924-F928 HydrophobicContact CG2-CE1 4.24Å; I924-F928 HydrophobicContact CG2-CE2 4.14Å; I924-F928 HydrophobicContact CG2-CZ 3.66Å; V925-F928 HydrophobicContact CB-CD2 4.27Å; V925-F928 HydrophobicContact CG1-CD2 4.14Å; V925-F928 HydrophobicContact CG1-CE2 4.25Å; V925-F928 WeakPolarHBondContact O-CB 3.41Å; V925-F928 PolarHBondContact O-N 3.28Å; K926-F928 VanDerWaalsContact C-N 3.3Å; F928-M950 WeakPolarHBondContact O-CE 3.43Å; F928-R956 PolarHBondContact O-N 3.37Å; F928-V1150 HydrophobicContact CE1-CG1 4.03Å; F928-V1150 HydrophobicContact CE1-CG2 4.09Å; F928-V1150 HydrophobicContact CZ-CG1 4.48Å; F928-V1150 HydrophobicContact CZ-CG2 4.39Å; F928-F1161 CarbonylContact C-O 3.54Å; F928-F1161 WeakPolarHBondContact CA-O 3.25Å; F928-F1161 HydrophobicContact CD1-CB 4.12Å; F928-F1161 AromaticContact CD1-CD2 3.93Å; F928-F1161 HydrophobicContact CD1-CD2 3.93Å; F928-F1161 HydrophobicContact CD1-CG 4.45Å; F928-F1161 HydrophobicContact CE1-CB 4.47Å; F928-F1161 AromaticContact CE1-CD2 3.82Å; F928-F1161 HydrophobicContact CE1-CD2 3.82Å; F928-F1161 HydrophobicContact CE1-CG 4.43Å; F928-M1163 HydrophobicContact CD1-CE 3.81Å; F928-M1163 HydrophobicContact CE1-CE 4.02Å; F928-M1163 HydrophobicContact CG-CE 4.1Å; F928-M1163 HydrophobicContact CZ-CE 4.47Å; F928-L1210 HydrophobicContact CB-CD2 4.41Å; F928-L1210 HydrophobicContact CD2-CB 4.35Å; F928-L1210 HydrophobicContact CD2-CD2 3.92Å; F928-L1210 HydrophobicContact CG-CD2 4.47Å; F928-L1213 HydrophobicContact CD2-CD2 4.32Å; F928-L1213 HydrophobicContact CE2-CB 4.48Å; F928-L1213 HydrophobicContact CE2-CD2 3.8Å; F928-L1213 HydrophobicContact CE2-CG 4.1Å; F928-L1213 HydrophobicContact CZ-CD2 3.97Å; F928-L1213 HydrophobicContact CZ-CG 4.15Å; F928-A1214 HydrophobicContact CE2-CB 4.12Å |
| 929 | S | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.3 | 173.4 | -63.1 | 0 | 0 | 0 | 0 | 110.8 | R956 Q1139 F1161 A1162 M1163 | S929-R956 CarbonylContact C-O 3.55Å; S929-R956 WeakPolarHBondContact CA-O 3.37Å; S929-R956 WeakPolarHBondContact CB-O 3.29Å; S929-Q1139 PolarHBondContact OG-NE2 3.32Å; S929-F1161 PolarHBondContact N-O 3.22Å; S929-A1162 CarbonylContact O-C 3.49Å; S929-A1162 VanDerWaalsContact O-CA 3.29Å; S929-A1162 WeakPolarHBondContact O-CA 3.46Å; S929-M1163 PolarHBondContact O-N 3.09Å |
| 930 | T | 95.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 3% | 0.025 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 132.4 | 162.6 | 56.1 | 0 | 0 | 0 | 0 | 109.4 | L946 M950 R956 S957 N958 M1163 P1167 | T930-L946 HydrophobicContact CG2-CB 4.49Å; T930-L946 HydrophobicContact CG2-CD2 3.92Å; T930-M950 HydrophobicContact CG2-CG 3.65Å; T930-M950 HydrophobicContact CG2-SD 3.65Å; T930-R956 PolarHBondContact N-O 2.92Å; T930-S957 VanDerWaalsContact OG1-CA 3.26Å; T930-S957 WeakPolarHBondContact OG1-CA 3.5Å; T930-S957 WeakPolarHBondContact OG1-CB 3.43Å; T930-N958 WeakPolarHBondContact O-CB 3.34Å; T930-M1163 VanDerWaalsContact CA-O 3.28Å; T930-M1163 WeakPolarHBondContact CA-O 3.49Å; T930-P1167 HydrophobicContact CG2-CB 4.36Å; T930-P1167 HydrophobicContact CG2-CG 4.28Å |
| 931 | G | 88.6 | Confident | 94.7 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | trans | -70.2 | 162.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M933 M1163 S1164 | G931-M933 WeakPolarHBondContact O-CE 3.49Å; G931-M933 PolarHBondContact O-N 2.88Å; G931-M933 VanDerWaalsContact O-N 3.13Å; G931-M1163 PolarHBondContact N-O 3.28Å; G931-S1164 WeakPolarHBondContact CA-OG 3.38Å; G931-S1164 PolarHBondContact N-OG 3.45Å | ||
| 932 | A | 91.7 | Very high | 94.8 | Very high | 26 Ų | 26 | 22.8 Ų | 22.8 | 22% | 0.215 | 12% | 0.12 | C | C | . | . | trans | -61.5 | 106.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N958 Q980 | A932-N958 HydrophobicContact CB-CB 4.42Å; A932-N958 WeakPolarHBondContact CB-OD1 3.31Å; A932-Q980 VanDerWaalsContact CB-NE2 3.27Å | ||
| 933 | M | 94.9 | Very high | 94.8 | Very high | 22 Ų | 22 | 19.4 Ų | 19.4 | 11% | 0.108 | 10% | 0.099 | C | C | . | . | trans | -131.5 | 106.8 | 179.9 | -66.3 | 176.1 | -72 | 0 | 0 | 110.5 | G931 I938 H943 L946 L1168 | G931-M933 WeakPolarHBondContact O-CE 3.49Å; G931-M933 PolarHBondContact O-N 2.88Å; G931-M933 VanDerWaalsContact O-N 3.13Å; M933-I938 HydrophobicContact CB-CD1 3.93Å; M933-I938 HydrophobicContact CB-CG1 4.46Å; M933-H943 PolarHBondContact O-CD2 2.95Å; M933-L946 HydrophobicContact CE-CD1 3.41Å; M933-L946 VanDerWaalsContact CE-CD1 3.41Å; M933-L1168 HydrophobicContact CE-CD2 4.34Å; M933-L1168 HydrophobicContact CE-CG 4.38Å; M933-L1168 HydrophobicContact SD-CD1 3.54Å; M933-L1168 VanDerWaalsContact SD-CD1 3.54Å; M933-L1168 HydrophobicContact SD-CD2 3.91Å; M933-L1168 HydrophobicContact SD-CG 3.67Å | ||
| 934 | S | 94.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | trans | -64 | 138.7 | -170.4 | 68.7 | 0 | 0 | 0 | 0 | 113.9 | G936 S937 I938 T959 R1028 | S934-G936 PolarHBondContact O-N 2.99Å; S934-S937 WeakPolarHBondContact O-CB 3.49Å; S934-S937 PolarHBondContact O-N 2.9Å; S934-S937 VanDerWaalsContact OG-CB 3.28Å; S934-S937 WeakPolarHBondContact OG-CB 3.42Å; S934-I938 PolarHBondContact O-N 3.3Å; S934-T959 WeakPolarHBondContact CA-O 3.29Å; S934-R1028 PolarHBondContact OG-NH2 3.49Å | ||
| 935 | L | 94.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -54.7 | 124.9 | 157.6 | -175.4 | 62.7 | 0 | 0 | 0 | 109.5 | H943 L965 I1024 T1027 R1028 | L935-H943 HydrophobicContact CD1-CB 4.47Å; L935-L965 HydrophobicContact CD2-CD1 4.48Å; L935-L965 HydrophobicContact CD2-CD2 4.46Å; L935-L965 HydrophobicContact CD2-CG 4.04Å; L935-I1024 HydrophobicContact CD1-CD1 4.24Å; L935-I1024 HydrophobicContact CD2-CD1 4.42Å; L935-I1024 HydrophobicContact CG-CD1 3.74Å; L935-T1027 HydrophobicContact CD2-CG2 4.31Å; L935-R1028 PolarHBondContact O-NH2 3.19Å |
| 936 | G | 92.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110 | -43.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S934 I938 K1019 Q1191 | S934-G936 PolarHBondContact O-N 2.99Å; G936-I938 PolarHBondContact N-O 3.38Å; G936-I938 VanDerWaalsContact N-O 3.08Å; G936-K1019 WeakPolarHBondContact O-CE 3.35Å; G936-K1019 PolarHBondContact O-NZ 2.96Å; G936-Q1191 VanDerWaalsContact CA-NE2 3.33Å; G936-Q1191 PolarHBondContact O-NE2 2.88Å |
| 937 | S | 93.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 13.5 Ų | 13.5 | 13% | 0.133 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -52.3 | 167.6 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | S934 K1019 G1102 A1189 | S934-S937 WeakPolarHBondContact O-CB 3.49Å; S934-S937 PolarHBondContact O-N 2.9Å; S934-S937 VanDerWaalsContact OG-CB 3.28Å; S934-S937 WeakPolarHBondContact OG-CB 3.42Å; S937-K1019 PolarHBondContact O-NZ 2.83Å; S937-G1102 WeakPolarHBondContact OG-CA 3.4Å; S937-A1189 CarbonylContact O-C 3.34Å; S937-A1189 WeakPolarHBondContact O-CA 3.31Å |
| 938 | I | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -101.4 | 157.6 | 169.8 | 62.3 | 171.1 | 0 | 0 | 0 | 110.9 | M933 S934 G936 A942 H943 L946 L1168 I1188 Q1191 | M933-I938 HydrophobicContact CB-CD1 3.93Å; M933-I938 HydrophobicContact CB-CG1 4.46Å; S934-I938 PolarHBondContact O-N 3.3Å; G936-I938 PolarHBondContact N-O 3.38Å; G936-I938 VanDerWaalsContact N-O 3.08Å; I938-A942 HydrophobicContact CB-CB 4.46Å; I938-H943 HydrophobicContact CD1-CB 3.83Å; I938-H943 HydrophobicContact CG1-CB 4.21Å; I938-L946 HydrophobicContact CD1-CD1 4.29Å; I938-L1168 HydrophobicContact CG2-CD2 4.25Å; I938-I1188 CarbonylContact C-O 3.53Å; I938-I1188 VanDerWaalsContact CA-O 3.29Å; I938-I1188 WeakPolarHBondContact CA-O 3.4Å; I938-I1188 HydrophobicContact CG2-CG2 4.36Å; I938-Q1191 VanDerWaalsContact C-NE2 3.33Å; I938-Q1191 PolarHBondContact O-NE2 2.66Å |
| 939 | S | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -69.6 | 156.9 | 178 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | E941 A942 H943 G1187 I1188 T1190 | S939-E941 WeakPolarHBondContact CB-OE2 3.32Å; S939-E941 PolarHBondContact O-N 2.8Å; S939-A942 PolarHBondContact O-N 3.01Å; S939-A942 WeakPolarHBondContact OG-CB 2.86Å; S939-A942 PolarHBondContact OG-N 3.24Å; S939-H943 WeakPolarHBondContact O-CB 3.34Å; S939-H943 PolarHBondContact O-N 2.89Å; S939-G1187 VanDerWaalsContact CB-O 3.29Å; S939-G1187 WeakPolarHBondContact CB-O 3.39Å; S939-G1187 PolarHBondContact OG-O 3Å; S939-I1188 WeakPolarHBondContact CB-O 3.45Å; S939-I1188 PolarHBondContact N-O 3.06Å; S939-I1188 PolarHBondContact OG-O 2.73Å; S939-T1190 WeakPolarHBondContact CB-O 3.39Å | ||
| 940 | S | 94.7 | Very high | 95 | Very high | 18 Ų | 18 | 16 Ų | 16 | 13% | 0.126 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | H943 T944 | S940-H943 PolarHBondContact O-N 2.56Å; S940-T944 VanDerWaalsContact O-CB 3.29Å; S940-T944 WeakPolarHBondContact O-CB 3.24Å; S940-T944 PolarHBondContact O-N 3.46Å; S940-T944 PolarHBondContact O-OG1 3.45Å |
| 941 | E | 95.6 | Very high | 95 | Very high | 66 Ų | 66 | 17.9 Ų | 17.9 | 31% | 0.308 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 177.1 | -61.5 | 78.9 | -174.8 | 0 | 0 | 111.6 | S939 T944 A945 R1196 F1199 | S939-E941 WeakPolarHBondContact CB-OE2 3.32Å; S939-E941 PolarHBondContact O-N 2.8Å; E941-T944 PolarHBondContact O-N 2.94Å; E941-A945 WeakPolarHBondContact O-CB 3.31Å; E941-A945 PolarHBondContact O-N 3.01Å; E941-R1196 IonicContact OE1-CZ 3.56Å; E941-R1196 IonicContact OE1-NE 3.58Å; E941-R1196 PolarHBondContact OE1-NE 2.86Å; E941-R1196 IonicContact OE1-NH2 2.72Å; E941-R1196 PolarHBondContact OE1-NH2 2.99Å; E941-R1196 IonicContact OE2-CZ 2.82Å; E941-R1196 IonicContact OE2-NE 2.78Å; E941-R1196 PolarHBondContact OE2-NE 2.99Å; E941-R1196 IonicContact OE2-NH2 3.94Å; E941-R1196 PolarHBondContact OE2-NH2 3.28Å; E941-F1199 HydrophobicContact CB-CB 4.39Å; E941-F1199 HydrophobicContact CB-CD1 3.52Å; E941-F1199 HydrophobicContact CB-CE1 3.85Å; E941-F1199 HydrophobicContact CB-CG 3.92Å; E941-F1199 HydrophobicContact CG-CD1 4.37Å |
| 942 | A | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I938 S939 T944 A945 L946 L1171 I1188 F1199 | I938-A942 HydrophobicContact CB-CB 4.46Å; S939-A942 PolarHBondContact O-N 3.01Å; S939-A942 WeakPolarHBondContact OG-CB 2.86Å; S939-A942 PolarHBondContact OG-N 3.24Å; A942-T944 PolarHBondContact O-N 3.22Å; A942-A945 PolarHBondContact O-N 3.03Å; A942-L946 WeakPolarHBondContact O-CG 3.4Å; A942-L946 PolarHBondContact O-N 2.96Å; A942-L1171 HydrophobicContact CB-CD1 4.5Å; A942-I1188 HydrophobicContact CB-CG2 4.21Å; A942-F1199 HydrophobicContact CB-CD2 4.33Å; A942-F1199 HydrophobicContact CB-CE2 3.72Å; A942-F1199 HydrophobicContact CB-CZ 4.22Å |
| 943 | H | 95.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 179.3 | -166.1 | -56.8 | 0 | 0 | 0 | 112 | M933 L935 I938 S939 S940 A947 T959 R968 | M933-H943 PolarHBondContact O-CD2 2.95Å; L935-H943 HydrophobicContact CD1-CB 4.47Å; I938-H943 HydrophobicContact CD1-CB 3.83Å; I938-H943 HydrophobicContact CG1-CB 4.21Å; S939-H943 WeakPolarHBondContact O-CB 3.34Å; S939-H943 PolarHBondContact O-N 2.89Å; S940-H943 PolarHBondContact O-N 2.56Å; H943-A947 PolarHBondContact O-N 3.27Å; H943-T959 PolarHBondContact NE2-O 3.43Å; H943-R968 PolarHBondContact CE1-NH1 3.31Å; H943-R968 VanDerWaalsContact CE1-NH1 3.32Å; H943-R968 PolarHBondContact ND1-NH1 3.4Å |
| 944 | T | 95.1 | Very high | 95.1 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 18% | 0.184 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -38.7 | 178.7 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | S940 E941 A942 L946 A947 R948 I974 | S940-T944 VanDerWaalsContact O-CB 3.29Å; S940-T944 WeakPolarHBondContact O-CB 3.24Å; S940-T944 PolarHBondContact O-N 3.46Å; S940-T944 PolarHBondContact O-OG1 3.45Å; E941-T944 PolarHBondContact O-N 2.94Å; A942-T944 PolarHBondContact O-N 3.22Å; T944-L946 VanDerWaalsContact C-N 3.32Å; T944-L946 PolarHBondContact O-N 3.12Å; T944-A947 PolarHBondContact O-N 2.97Å; T944-R948 PolarHBondContact O-N 2.8Å; T944-I974 HydrophobicContact CG2-CB 4.27Å; T944-I974 HydrophobicContact CG2-CG2 4.03Å |
| 945 | A | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 25.2 Ų | 25.2 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E941 A942 A949 L1171 F1199 P1203 | E941-A945 WeakPolarHBondContact O-CB 3.31Å; E941-A945 PolarHBondContact O-N 3.01Å; A942-A945 PolarHBondContact O-N 3.03Å; A945-A949 WeakPolarHBondContact O-CB 3.45Å; A945-A949 PolarHBondContact O-N 3.4Å; A945-L1171 HydrophobicContact CB-CD1 4.43Å; A945-L1171 HydrophobicContact CB-CD2 4.09Å; A945-F1199 HydrophobicContact CB-CZ 4.17Å; A945-P1203 HydrophobicContact CB-CG 4.35Å |
| 946 | L | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 175.5 | -67.6 | 171 | 0 | 0 | 0 | 112 | T930 M933 I938 A942 T944 A949 M950 P1167 L1168 L1171 V1206 | T930-L946 HydrophobicContact CG2-CB 4.49Å; T930-L946 HydrophobicContact CG2-CD2 3.92Å; M933-L946 HydrophobicContact CE-CD1 3.41Å; M933-L946 VanDerWaalsContact CE-CD1 3.41Å; I938-L946 HydrophobicContact CD1-CD1 4.29Å; A942-L946 WeakPolarHBondContact O-CG 3.4Å; A942-L946 PolarHBondContact O-N 2.96Å; T944-L946 VanDerWaalsContact C-N 3.32Å; T944-L946 PolarHBondContact O-N 3.12Å; L946-A949 PolarHBondContact O-N 2.87Å; L946-M950 WeakPolarHBondContact O-CG 3.45Å; L946-M950 PolarHBondContact O-N 2.91Å; L946-P1167 HydrophobicContact CD2-CB 3.74Å; L946-L1168 HydrophobicContact CD1-CD2 4.46Å; L946-L1171 HydrophobicContact CD2-CD1 3.73Å; L946-L1171 HydrophobicContact CG-CD1 3.82Å; L946-V1206 HydrophobicContact CD2-CG2 4.24Å |
| 947 | A | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H943 T944 A949 M950 N951 S957 I974 | H943-A947 PolarHBondContact O-N 3.27Å; T944-A947 PolarHBondContact O-N 2.97Å; A947-A949 VanDerWaalsContact C-N 3.33Å; A947-A949 PolarHBondContact O-N 3.08Å; A947-M950 PolarHBondContact O-N 3.14Å; A947-N951 WeakPolarHBondContact O-CB 3.42Å; A947-N951 PolarHBondContact O-N 2.87Å; A947-N951 PolarHBondContact O-OD1 3.23Å; A947-S957 WeakPolarHBondContact CA-OG 3.38Å; A947-I974 WeakPolarHBondContact CB-O 3.42Å |
| 948 | R | 96.6 | Very high | 95.3 | Very high | 111 Ų | 111 | 26.3 Ų | 26.3 | 42% | 0.419 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 176.9 | -170.5 | 177.9 | -73.3 | 174.1 | -2.2 | 113 | T944 K952 E973 I974 P1203 | T944-R948 PolarHBondContact O-N 2.8Å; R948-K952 WeakPolarHBondContact O-CB 3.43Å; R948-K952 PolarHBondContact O-N 3.37Å; R948-E973 VanDerWaalsContact CA-O 3.25Å; R948-E973 WeakPolarHBondContact CA-O 3.44Å; R948-I974 HydrophobicContact CB-CG2 4.43Å; R948-P1203 HydrophobicContact CB-CB 4.36Å; R948-P1203 HydrophobicContact CB-CG 4.18Å; R948-P1203 HydrophobicContact CG-CB 4.41Å; R948-P1203 HydrophobicContact CG-CG 4.26Å |
| 949 | A | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -50.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A945 L946 A947 K952 L953 P1203 V1206 I1207 | A945-A949 WeakPolarHBondContact O-CB 3.45Å; A945-A949 PolarHBondContact O-N 3.4Å; L946-A949 PolarHBondContact O-N 2.87Å; A947-A949 VanDerWaalsContact C-N 3.33Å; A947-A949 PolarHBondContact O-N 3.08Å; A949-K952 PolarHBondContact O-N 2.98Å; A949-L953 WeakPolarHBondContact O-CG 3.38Å; A949-L953 PolarHBondContact O-N 3.27Å; A949-P1203 HydrophobicContact CB-CB 4.11Å; A949-V1206 HydrophobicContact CB-CB 3.77Å; A949-V1206 HydrophobicContact CB-CG1 3.89Å; A949-I1207 HydrophobicContact CB-CG1 4.09Å |
| 950 | M | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | -175.8 | -63.6 | -46.7 | -60.4 | 0 | 0 | 112.6 | F928 T930 L946 A947 K952 L953 G954 G955 L1210 | F928-M950 WeakPolarHBondContact O-CE 3.43Å; T930-M950 HydrophobicContact CG2-CG 3.65Å; T930-M950 HydrophobicContact CG2-SD 3.65Å; L946-M950 WeakPolarHBondContact O-CG 3.45Å; L946-M950 PolarHBondContact O-N 2.91Å; A947-M950 PolarHBondContact O-N 3.14Å; M950-K952 VanDerWaalsContact C-N 3.3Å; M950-K952 PolarHBondContact O-N 2.9Å; M950-L953 PolarHBondContact O-N 2.89Å; M950-L953 VanDerWaalsContact O-N 3.14Å; M950-L953 HydrophobicContact SD-CD1 4.37Å; M950-G954 PolarHBondContact O-N 2.96Å; M950-G954 VanDerWaalsContact O-N 3.12Å; M950-G955 PolarHBondContact O-N 3.32Å; M950-L1210 HydrophobicContact CE-CD1 3.99Å; M950-L1210 HydrophobicContact SD-CD1 3.51Å; M950-L1210 VanDerWaalsContact SD-CD1 3.51Å |
| 951 | N | 94.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 26.1 Ų | 26.1 | 23% | 0.23 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.8 | -36.8 | 180 | -63.7 | -2.3 | 0 | 0 | 0 | 111.4 | A947 L953 G954 P972 C975 | A947-N951 WeakPolarHBondContact O-CB 3.42Å; A947-N951 PolarHBondContact O-N 2.87Å; A947-N951 PolarHBondContact O-OD1 3.23Å; N951-L953 VanDerWaalsContact C-N 3.31Å; N951-L953 PolarHBondContact O-N 2.93Å; N951-G954 PolarHBondContact O-N 3.41Å; N951-P972 PolarHBondContact ND2-O 2.88Å; N951-C975 PolarHBondContact ND2-O 2.83Å; N951-C975 PolarHBondContact OD1-O 2.88Å |
| 952 | K | 95.1 | Very high | 94.9 | Very high | 152 Ų | 152 | 23 Ų | 23 | 66% | 0.661 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -67.8 | -29.7 | 175.6 | -172.2 | 167.1 | 176 | -178.9 | 0 | 113.1 | R948 A949 M950 I1207 | R948-K952 WeakPolarHBondContact O-CB 3.43Å; R948-K952 PolarHBondContact O-N 3.37Å; A949-K952 PolarHBondContact O-N 2.98Å; M950-K952 VanDerWaalsContact C-N 3.3Å; M950-K952 PolarHBondContact O-N 2.9Å; K952-I1207 HydrophobicContact CB-CD1 4.26Å; K952-I1207 HydrophobicContact CD-CD1 3.8Å; K952-I1207 HydrophobicContact CG-CD1 4.23Å |
| 953 | L | 93 | Very high | 94.8 | Very high | 13 Ų | 13 | 23 Ų | 23 | 7% | 0.068 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -80.8 | -16.1 | 175.9 | -71.1 | 170.2 | 0 | 0 | 0 | 113.5 | V925 A949 M950 N951 G955 I1207 L1210 F1211 | V925-L953 HydrophobicContact CG2-CB 4.46Å; V925-L953 HydrophobicContact CG2-CD2 4.3Å; A949-L953 WeakPolarHBondContact O-CG 3.38Å; A949-L953 PolarHBondContact O-N 3.27Å; M950-L953 PolarHBondContact O-N 2.89Å; M950-L953 VanDerWaalsContact O-N 3.14Å; M950-L953 HydrophobicContact SD-CD1 4.37Å; N951-L953 VanDerWaalsContact C-N 3.31Å; N951-L953 PolarHBondContact O-N 2.93Å; L953-G955 PolarHBondContact O-N 3.32Å; L953-I1207 HydrophobicContact CD1-CG1 4.26Å; L953-I1207 HydrophobicContact CD2-CG1 4.38Å; L953-I1207 HydrophobicContact CD2-CG2 4.01Å; L953-I1207 HydrophobicContact CG-CG1 4.11Å; L953-L1210 HydrophobicContact CD1-CB 4.05Å; L953-L1210 HydrophobicContact CD1-CD1 3.44Å; L953-L1210 VanDerWaalsContact CD1-CD1 3.44Å; L953-L1210 HydrophobicContact CD1-CG 4.36Å; L953-F1211 HydrophobicContact CD2-CD2 3.82Å; L953-F1211 HydrophobicContact CD2-CE2 3.24Å; L953-F1211 HydrophobicContact CD2-CZ 3.76Å |
| 954 | G | 89.9 | Confident | 94.7 | Very high | 47 Ų | 47 | 22.8 Ų | 22.8 | 49% | 0.485 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 13.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M950 N951 | M950-G954 PolarHBondContact O-N 2.96Å; M950-G954 VanDerWaalsContact O-N 3.12Å; N951-G954 PolarHBondContact O-N 3.41Å |
| 955 | G | 91.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | trans | -87.6 | -167.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | M950 L953 | M950-G955 PolarHBondContact O-N 3.32Å; L953-G955 PolarHBondContact O-N 3.32Å | ||
| 956 | R | 94.8 | Very high | 94.1 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -127.3 | 138.4 | -174.9 | -56.7 | -178.7 | -139.9 | 124.6 | 13.7 | 113 | F928 S929 T930 A977 I978 E1160 | F928-R956 PolarHBondContact O-N 3.37Å; S929-R956 CarbonylContact C-O 3.55Å; S929-R956 WeakPolarHBondContact CA-O 3.37Å; S929-R956 WeakPolarHBondContact CB-O 3.29Å; T930-R956 PolarHBondContact N-O 2.92Å; R956-A977 HydrophobicContact CB-CB 4.01Å; R956-A977 HydrophobicContact CG-CB 4.09Å; R956-I978 HydrophobicContact CB-CD1 3.71Å; R956-I978 HydrophobicContact CB-CG1 3.92Å; R956-E1160 IonicContact CZ-OE1 3.72Å; R956-E1160 IonicContact CZ-OE2 2.81Å; R956-E1160 IonicContact NH1-OE1 2.69Å; R956-E1160 IonicContact NH1-OE2 2.89Å; R956-E1160 PolarHBondContact NH1-OE2 2.83Å; R956-E1160 IonicContact NH2-OE1 2.76Å; R956-E1160 PolarHBondContact NH2-OE1 3.47Å; R956-E1160 IonicContact NH2-OE2 3.27Å; R956-E1160 PolarHBondContact NH2-OE2 2.83Å |
| 957 | S | 95.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | trans | -106.5 | 156.6 | 170.1 | 61.1 | 0 | 0 | 0 | 0 | 111.5 | T930 A947 S976 A977 I978 | T930-S957 VanDerWaalsContact OG1-CA 3.26Å; T930-S957 WeakPolarHBondContact OG1-CA 3.5Å; T930-S957 WeakPolarHBondContact OG1-CB 3.43Å; A947-S957 WeakPolarHBondContact CA-OG 3.38Å; S957-S976 WeakPolarHBondContact OG-CA 3.39Å; S957-A977 PolarHBondContact O-N 2.9Å; S957-I978 WeakPolarHBondContact O-CB 3.29Å; S957-I978 PolarHBondContact O-N 2.71Å | ||
| 958 | N | 97 | Very high | 93.6 | Very high | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -124.7 | 131.6 | -173.5 | -170.8 | -42 | 0 | 0 | 0 | 112.1 | T930 A932 G960 I978 Q1000 | T930-N958 WeakPolarHBondContact O-CB 3.34Å; A932-N958 HydrophobicContact CB-CB 4.42Å; A932-N958 WeakPolarHBondContact CB-OD1 3.31Å; N958-G960 VanDerWaalsContact C-N 3.27Å; N958-G960 PolarHBondContact O-N 3.35Å; N958-G960 PolarHBondContact OD1-N 3Å; N958-I978 WeakPolarHBondContact CA-O 3.29Å; N958-I978 HydrophobicContact CB-CB 3.99Å; N958-I978 HydrophobicContact CB-CD1 4.38Å; N958-I978 HydrophobicContact CB-CG2 4.28Å; N958-I978 VanDerWaalsContact ND2-CG2 3.3Å; N958-I978 WeakPolarHBondContact ND2-CG2 3.45Å; N958-Q1000 PolarHBondContact ND2-OE1 3.12Å |
| 959 | T | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -65.2 | -24.3 | -178.7 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | S934 H943 E964 I978 K979 Q980 Y992 | S934-T959 WeakPolarHBondContact CA-O 3.29Å; H943-T959 PolarHBondContact NE2-O 3.43Å; T959-E964 HydrophobicContact CG2-CB 3.99Å; T959-E964 HydrophobicContact CG2-CG 4.46Å; T959-I978 PolarHBondContact N-O 3.34Å; T959-I978 VanDerWaalsContact N-O 3.09Å; T959-K979 HydrophobicContact CG2-CD 4.47Å; T959-K979 HydrophobicContact CG2-CG 4.05Å; T959-K979 WeakPolarHBondContact OG1-CA 3.48Å; T959-Q980 PolarHBondContact OG1-N 3.1Å; T959-Y992 HydrophobicContact CG2-CE2 4.17Å; T959-Y992 PolarHBondContact OG1-OH 3.02Å | ||
| 960 | G | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | 58.6 | -169.7 | -162 | 0 | 0 | 0 | 0 | 0 | 113.1 | N958 G962 Q980 | N958-G960 VanDerWaalsContact C-N 3.27Å; N958-G960 PolarHBondContact O-N 3.35Å; N958-G960 PolarHBondContact OD1-N 3Å; G960-G962 PolarHBondContact O-N 3.41Å; G960-Q980 VanDerWaalsContact CA-OE1 3.25Å; G960-Q980 WeakPolarHBondContact O-CB 3.32Å |
| 961 | E | 93.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 36.3 Ų | 36.3 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -74.6 | 8.6 | -174.9 | 66.6 | -178.3 | -155 | 0 | 0 | 114.9 | A982 F986 K1002 G1013 | E961-A982 HydrophobicContact CB-CB 3.73Å; E961-F986 WeakPolarHBondContact O-CB 3.3Å; E961-F986 WeakPolarHBondContact O-CD2 3.43Å; E961-K1002 IonicContact OE2-NZ 3.29Å; E961-K1002 PolarHBondContact OE2-NZ 3.32Å; E961-G1013 WeakPolarHBondContact OE1-CA 3.37Å; E961-G1013 WeakPolarHBondContact OE2-CA 3.38Å |
| 962 | G | 91.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -90.6 | -2.8 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | G960 R1028 | G960-G962 PolarHBondContact O-N 3.41Å; G962-R1028 WeakPolarHBondContact O-CG 3.2Å |
| 963 | G | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | 71 | -172.9 | -161.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F986 | G963-F986 PolarHBondContact N-O 3.24Š| ||
| 964 | E | 94.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -142.3 | 148.3 | 176.4 | -179.1 | 166.6 | -141.8 | 0 | 0 | 109.6 | T959 R968 Y969 S976 K979 Y992 | T959-E964 HydrophobicContact CG2-CB 3.99Å; T959-E964 HydrophobicContact CG2-CG 4.46Å; E964-R968 HydrophobicContact CG-CB 4.2Å; E964-R968 IonicContact OE1-CZ 3.63Å; E964-R968 IonicContact OE1-NE 2.88Å; E964-R968 PolarHBondContact OE1-NE 3.03Å; E964-R968 IonicContact OE1-NH1 3.55Å; E964-R968 PolarHBondContact OE1-NH1 3.49Å; E964-R968 IonicContact OE1-NH2 3.06Å; E964-R968 PolarHBondContact OE1-NH2 3.19Å; E964-Y969 HydrophobicContact CB-CE1 4.06Å; E964-Y969 HydrophobicContact CG-CE1 4.18Å; E964-Y969 PolarHBondContact O-OH 2.84Å; E964-S976 VanDerWaalsContact OE1-CB 3.31Å; E964-S976 WeakPolarHBondContact OE1-CB 3.19Å; E964-S976 PolarHBondContact OE1-N 3.44Å; E964-S976 PolarHBondContact OE1-OG 3.27Å; E964-K979 IonicContact OE2-NZ 3Å; E964-K979 PolarHBondContact OE2-NZ 3.36Å; E964-Y992 HydrophobicContact CB-CD2 4.37Å; E964-Y992 HydrophobicContact CB-CE2 4.17Å | ||
| 965 | L | 91.4 | Very high | 92 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 12% | 0.115 | 19% | 0.189 | C | C | . | . | trans | -65.3 | 127.6 | 179 | -66.9 | 170.3 | 0 | 0 | 0 | 109.9 | L935 E967 R968 E1023 T1027 | L935-L965 HydrophobicContact CD2-CD1 4.48Å; L935-L965 HydrophobicContact CD2-CD2 4.46Å; L935-L965 HydrophobicContact CD2-CG 4.04Å; L965-E967 HydrophobicContact CB-CG 4.1Å; L965-E967 PolarHBondContact O-N 2.87Å; L965-E967 VanDerWaalsContact O-N 3.13Å; L965-R968 HydrophobicContact CB-CG 4.37Å; L965-R968 WeakPolarHBondContact O-CB 3.38Å; L965-R968 PolarHBondContact O-N 2.86Å; L965-E1023 HydrophobicContact CD2-CG 4.33Å; L965-T1027 WeakPolarHBondContact CD2-OG1 3.05Å | ||
| 966 | P | 88.7 | Confident | 92.2 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -58.2 | -31.5 | -173.1 | -28.3 | 35.1 | 0 | 0 | 0 | 115.1 | R968 Y969 E1354 | P966-R968 PolarHBondContact O-N 3.02Å; P966-R968 VanDerWaalsContact O-N 3.14Å; P966-Y969 HydrophobicContact CB-CD2 4.25Å; P966-Y969 HydrophobicContact CB-CE2 3.92Å; P966-Y969 HydrophobicContact CG-CE2 4.42Å; P966-Y969 WeakPolarHBondContact O-CB 3.32Å; P966-Y969 WeakPolarHBondContact O-CD2 3.2Å; P966-Y969 PolarHBondContact O-N 3.25Å; P966-Y969 VanDerWaalsContact O-N 3.14Å; P966-E1354 WeakPolarHBondContact CG-OE1 3.45Å; P966-E1354 VanDerWaalsContact CG-OE2 3.31Å; P966-E1354 WeakPolarHBondContact CG-OE2 3.38Å |
| 967 | E | 88.6 | Confident | 92.2 | Very high | 155 Ų | 155 | 35.7 Ų | 35.7 | 72% | 0.724 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -60.1 | -20.2 | 175.6 | 62.2 | -164.4 | -155 | 0 | 0 | 114 | L965 | L965-E967 HydrophobicContact CB-CG 4.1Å; L965-E967 PolarHBondContact O-N 2.87Å; L965-E967 VanDerWaalsContact O-N 3.13Å |
| 968 | R | 91.9 | Very high | 92.3 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -79.8 | -25 | 177.5 | -64.9 | 175.5 | 63.4 | -162.2 | -7.5 | 112.9 | H943 E964 L965 P966 K970 N971 I974 C975 S976 | H943-R968 PolarHBondContact CE1-NH1 3.31Å; H943-R968 VanDerWaalsContact CE1-NH1 3.32Å; H943-R968 PolarHBondContact ND1-NH1 3.4Å; E964-R968 HydrophobicContact CG-CB 4.2Å; E964-R968 IonicContact OE1-CZ 3.63Å; E964-R968 IonicContact OE1-NE 2.88Å; E964-R968 PolarHBondContact OE1-NE 3.03Å; E964-R968 IonicContact OE1-NH1 3.55Å; E964-R968 PolarHBondContact OE1-NH1 3.49Å; E964-R968 IonicContact OE1-NH2 3.06Å; E964-R968 PolarHBondContact OE1-NH2 3.19Å; L965-R968 HydrophobicContact CB-CG 4.37Å; L965-R968 WeakPolarHBondContact O-CB 3.38Å; L965-R968 PolarHBondContact O-N 2.86Å; P966-R968 PolarHBondContact O-N 3.02Å; P966-R968 VanDerWaalsContact O-N 3.14Å; R968-K970 VanDerWaalsContact C-N 3.31Å; R968-K970 PolarHBondContact O-N 3.41Å; R968-N971 PolarHBondContact O-N 2.82Å; R968-I974 HydrophobicContact CB-CG1 4.39Å; R968-I974 HydrophobicContact CG-CD1 4.01Å; R968-I974 HydrophobicContact CG-CG1 4.16Å; R968-I974 PolarHBondContact NE-O 3.25Å; R968-I974 PolarHBondContact NH2-O 3.18Å; R968-C975 VanDerWaalsContact O-CB 3.3Å; R968-C975 WeakPolarHBondContact O-CB 3.46Å; R968-S976 PolarHBondContact NH2-OG 3.29Å |
| 969 | Y | 89.1 | Confident | 92.3 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -41.6 | -171.5 | -62.2 | -24.4 | 0 | 0 | 0 | 113.6 | E964 P966 S991 Y992 H995 E1354 | E964-Y969 HydrophobicContact CB-CE1 4.06Å; E964-Y969 HydrophobicContact CG-CE1 4.18Å; E964-Y969 PolarHBondContact O-OH 2.84Å; P966-Y969 HydrophobicContact CB-CD2 4.25Å; P966-Y969 HydrophobicContact CB-CE2 3.92Å; P966-Y969 HydrophobicContact CG-CE2 4.42Å; P966-Y969 WeakPolarHBondContact O-CB 3.32Å; P966-Y969 WeakPolarHBondContact O-CD2 3.2Å; P966-Y969 PolarHBondContact O-N 3.25Å; P966-Y969 VanDerWaalsContact O-N 3.14Å; Y969-S991 WeakPolarHBondContact CD2-OG 3.42Å; Y969-Y992 HydrophobicContact CE1-CD2 4.24Å; Y969-H995 HydrophobicContact CG-CB 4.39Å; Y969-E1354 HydrophobicContact CE2-CG 4.22Å; Y969-E1354 WeakPolarHBondContact CE2-OE1 3.39Å |
| 970 | K | 82.7 | Confident | 92.3 | Very high | 132 Ų | 132 | 35.5 Ų | 35.5 | 57% | 0.574 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -2 | -178.6 | -63.9 | -166.3 | 175.8 | -167.1 | 0 | 113.6 | R968 P972 K1351 | R968-K970 VanDerWaalsContact C-N 3.31Å; R968-K970 PolarHBondContact O-N 3.41Å; K970-P972 WeakPolarHBondContact O-CD 3.18Å; K970-K1351 PolarHBondContact NZ-O 2.73Å |
| 971 | N | 91.1 | Very high | 92.4 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 31% | 0.31 | 18% | 0.184 | S | C | . | . | trans | -105.1 | 99.4 | 178.7 | -172.7 | -17.9 | 0 | 0 | 0 | 110.7 | R968 E973 I974 C975 | R968-N971 PolarHBondContact O-N 2.82Å; N971-E973 PolarHBondContact O-N 2.85Å; N971-E973 VanDerWaalsContact O-N 3.14Å; N971-E973 WeakPolarHBondContact OD1-CB 3.45Å; N971-E973 PolarHBondContact OD1-N 2.8Å; N971-E973 VanDerWaalsContact OD1-N 3.09Å; N971-I974 HydrophobicContact CB-CD1 4.15Å; N971-I974 HydrophobicContact CB-CG1 3.74Å; N971-I974 PolarHBondContact O-N 3.03Å; N971-I974 VanDerWaalsContact O-N 3.09Å; N971-C975 WeakPolarHBondContact O-CB 3.3Å; N971-C975 PolarHBondContact O-N 2.75Å | ||
| 972 | P | 87 | Confident | 92.5 | Very high | 104 Ų | 104 | 34.9 Ų | 34.9 | 68% | 0.675 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.8 | -176.4 | 25.6 | -33.9 | 0 | 0 | 0 | 113.5 | N951 K970 I974 | N951-P972 PolarHBondContact ND2-O 2.88Å; K970-P972 WeakPolarHBondContact O-CD 3.18Å; P972-I974 VanDerWaalsContact C-N 3.3Å; P972-I974 PolarHBondContact O-N 2.78Å |
| 973 | E | 92 | Very high | 92.7 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 58% | 0.579 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -24.8 | 176.8 | -68.7 | -164.9 | 160.4 | 0 | 0 | 113.3 | R948 N971 | R948-E973 VanDerWaalsContact CA-O 3.25Å; R948-E973 WeakPolarHBondContact CA-O 3.44Å; N971-E973 PolarHBondContact O-N 2.85Å; N971-E973 VanDerWaalsContact O-N 3.14Å; N971-E973 WeakPolarHBondContact OD1-CB 3.45Å; N971-E973 PolarHBondContact OD1-N 2.8Å; N971-E973 VanDerWaalsContact OD1-N 3.09Å |
| 974 | I | 93.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -1.9 | -173.7 | 63.6 | 177.1 | 0 | 0 | 0 | 113.5 | T944 A947 R948 R968 N971 P972 | T944-I974 HydrophobicContact CG2-CB 4.27Å; T944-I974 HydrophobicContact CG2-CG2 4.03Å; A947-I974 WeakPolarHBondContact CB-O 3.42Å; R948-I974 HydrophobicContact CB-CG2 4.43Å; R968-I974 HydrophobicContact CB-CG1 4.39Å; R968-I974 HydrophobicContact CG-CD1 4.01Å; R968-I974 HydrophobicContact CG-CG1 4.16Å; R968-I974 PolarHBondContact NE-O 3.25Å; R968-I974 PolarHBondContact NH2-O 3.18Å; N971-I974 HydrophobicContact CB-CD1 4.15Å; N971-I974 HydrophobicContact CB-CG1 3.74Å; N971-I974 PolarHBondContact O-N 3.03Å; N971-I974 VanDerWaalsContact O-N 3.09Å; P972-I974 VanDerWaalsContact C-N 3.3Å; P972-I974 PolarHBondContact O-N 2.78Å |
| 975 | C | 94.2 | Very high | 92.7 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.095 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -70 | 134.3 | 174.3 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | N951 R968 N971 A977 K979 | N951-C975 PolarHBondContact ND2-O 2.83Å; N951-C975 PolarHBondContact OD1-O 2.88Å; R968-C975 VanDerWaalsContact O-CB 3.3Å; R968-C975 WeakPolarHBondContact O-CB 3.46Å; N971-C975 WeakPolarHBondContact O-CB 3.3Å; N971-C975 PolarHBondContact O-N 2.75Å; C975-A977 PolarHBondContact O-N 3.44Å; C975-K979 PolarHBondContact SG-NZ 2.93Å; C975-K979 VanDerWaalsContact SG-NZ 3.35Å |
| 976 | S | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -76.1 | 123.2 | 173.9 | -43.7 | 0 | 0 | 0 | 0 | 110.2 | S957 E964 R968 K979 | S957-S976 WeakPolarHBondContact OG-CA 3.39Å; E964-S976 VanDerWaalsContact OE1-CB 3.31Å; E964-S976 WeakPolarHBondContact OE1-CB 3.19Å; E964-S976 PolarHBondContact OE1-N 3.44Å; E964-S976 PolarHBondContact OE1-OG 3.27Å; R968-S976 PolarHBondContact NH2-OG 3.29Å; S976-K979 PolarHBondContact O-NZ 3.42Å; S976-K979 VanDerWaalsContact O-NZ 3.07Å | ||
| 977 | A | 95.1 | Very high | 92.9 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -66.3 | -39.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R956 S957 C975 E997 M998 | R956-A977 HydrophobicContact CB-CB 4.01Å; R956-A977 HydrophobicContact CG-CB 4.09Å; S957-A977 PolarHBondContact O-N 2.9Å; C975-A977 PolarHBondContact O-N 3.44Å; A977-E997 HydrophobicContact CB-CB 4.28Å; A977-E997 PolarHBondContact O-N 3.36Å; A977-M998 PolarHBondContact O-N 2.83Å; A977-M998 VanDerWaalsContact O-N 3.08Å |
| 978 | I | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 125.7 | 175.4 | -54.6 | 160.4 | 0 | 0 | 0 | 108.9 | R956 S957 N958 T959 M998 Q1000 | R956-I978 HydrophobicContact CB-CD1 3.71Å; R956-I978 HydrophobicContact CB-CG1 3.92Å; S957-I978 WeakPolarHBondContact O-CB 3.29Å; S957-I978 PolarHBondContact O-N 2.71Å; N958-I978 WeakPolarHBondContact CA-O 3.29Å; N958-I978 HydrophobicContact CB-CB 3.99Å; N958-I978 HydrophobicContact CB-CD1 4.38Å; N958-I978 HydrophobicContact CB-CG2 4.28Å; N958-I978 VanDerWaalsContact ND2-CG2 3.3Å; N958-I978 WeakPolarHBondContact ND2-CG2 3.45Å; T959-I978 PolarHBondContact N-O 3.34Å; T959-I978 VanDerWaalsContact N-O 3.09Å; I978-M998 CarbonylContact C-O 3.55Å; I978-M998 VanDerWaalsContact CA-O 3.29Å; I978-M998 WeakPolarHBondContact CA-O 3.31Å; I978-M998 HydrophobicContact CD1-SD 4.21Å; I978-M998 HydrophobicContact CG1-CB 3.99Å; I978-M998 HydrophobicContact CG1-CG 4.31Å; I978-M998 HydrophobicContact CG1-SD 3.95Å; I978-M998 HydrophobicContact CG2-CB 4.44Å; I978-M998 HydrophobicContact CG2-CG 4.26Å; I978-M998 HydrophobicContact CG2-SD 4.36Å; I978-Q1000 HydrophobicContact CG2-CB 3.77Å |
| 979 | K | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121.4 | 175.8 | -64.5 | -147.1 | -151.5 | -59.7 | 0 | 110.4 | T959 E964 C975 S976 Y992 H995 A996 M998 L999 Q1000 | T959-K979 HydrophobicContact CG2-CD 4.47Å; T959-K979 HydrophobicContact CG2-CG 4.05Å; T959-K979 WeakPolarHBondContact OG1-CA 3.48Å; E964-K979 IonicContact OE2-NZ 3Å; E964-K979 PolarHBondContact OE2-NZ 3.36Å; C975-K979 PolarHBondContact SG-NZ 2.93Å; C975-K979 VanDerWaalsContact SG-NZ 3.35Å; S976-K979 PolarHBondContact O-NZ 3.42Å; S976-K979 VanDerWaalsContact O-NZ 3.07Å; K979-Y992 HydrophobicContact CB-CD1 4.36Å; K979-Y992 HydrophobicContact CB-CE1 3.66Å; K979-Y992 HydrophobicContact CB-CE2 4.12Å; K979-Y992 HydrophobicContact CD-CD1 4.02Å; K979-Y992 HydrophobicContact CD-CD2 3.5Å; K979-Y992 VanDerWaalsContact CD-CD2 3.5Å; K979-Y992 HydrophobicContact CD-CE1 4.01Å; K979-Y992 HydrophobicContact CD-CE2 3.46Å; K979-Y992 VanDerWaalsContact CD-CE2 3.46Å; K979-Y992 HydrophobicContact CD-CG 3.79Å; K979-Y992 WeakPolarHBondContact CD-O 3.4Å; K979-Y992 WeakPolarHBondContact CE-O 3.49Å; K979-Y992 HydrophobicContact CG-CE1 4.45Å; K979-Y992 HydrophobicContact CG-CE2 4.18Å; K979-H995 VanDerWaalsContact CE-C 3.45Å; K979-H995 WeakPolarHBondContact CE-O 3.36Å; K979-H995 PolarHBondContact NZ-O 3.18Å; K979-H995 VanDerWaalsContact NZ-O 3.16Å; K979-A996 HydrophobicContact CB-CB 3.84Å; K979-A996 HydrophobicContact CD-CB 4.13Å; K979-A996 HydrophobicContact CG-CB 3.7Å; K979-M998 PolarHBondContact N-O 2.73Å; K979-L999 HydrophobicContact CB-CD2 4.14Å; K979-L999 WeakPolarHBondContact O-CA 3.24Å; K979-Q1000 PolarHBondContact O-N 2.95Å |
| 980 | Q | 97 | Very high | 93.6 | Very high | 7 Ų | 7 | 25 Ų | 25 | 3% | 0.033 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 140.9 | -177.5 | -162.5 | 168.5 | 63.5 | 0 | 0 | 111.8 | A932 T959 G960 Y992 Q1000 K1002 | A932-Q980 VanDerWaalsContact CB-NE2 3.27Å; T959-Q980 PolarHBondContact OG1-N 3.1Å; G960-Q980 VanDerWaalsContact CA-OE1 3.25Å; G960-Q980 WeakPolarHBondContact O-CB 3.32Å; Q980-Y992 PolarHBondContact N-OH 2.78Å; Q980-Y992 PolarHBondContact O-OH 2.82Å; Q980-Q1000 CarbonylContact C-O 3.48Å; Q980-Q1000 VanDerWaalsContact CA-O 3.32Å; Q980-Q1000 WeakPolarHBondContact CA-O 3.31Å; Q980-Q1000 WeakPolarHBondContact CG-O 3.34Å; Q980-K1002 HydrophobicContact CG-CB 3.77Å |
| 981 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 105.1 | 169.7 | -178.6 | 0 | 0 | 0 | 0 | 106.5 | V988 L993 Q1000 I1001 K1002 H1042 L1058 | V981-V988 HydrophobicContact CG2-CG1 4.32Å; V981-L993 HydrophobicContact CG2-CD2 3.93Å; V981-Q1000 PolarHBondContact N-O 3.46Å; V981-I1001 WeakPolarHBondContact O-CA 3.44Å; V981-K1002 PolarHBondContact O-N 3.17Å; V981-H1042 PolarHBondContact O-CE1 2.94Å; V981-H1042 VanDerWaalsContact O-CE1 3.27Å; V981-L1058 HydrophobicContact CG2-CD1 4.23Å; V981-L1058 HydrophobicContact CG2-CD2 4.02Å |
| 982 | A | 95.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.033 | 9% | 0.091 | C | C | . | . | trans | -117.3 | 168.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E961 G984 R985 K1002 H1042 | E961-A982 HydrophobicContact CB-CB 3.73Å; A982-G984 PolarHBondContact O-N 3.13Å; A982-G984 VanDerWaalsContact O-N 3.1Å; A982-R985 PolarHBondContact O-N 3.48Å; A982-R985 PolarHBondContact O-NH1 2.99Å; A982-K1002 HydrophobicContact CB-CB 4.04Å; A982-K1002 HydrophobicContact CB-CD 3.77Å; A982-H1042 WeakPolarHBondContact CA-NE2 2.99Å | ||
| 983 | S | 94.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 11 Ų | 11 | 4% | 0.042 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.8 | -174.5 | 57.2 | 0 | 0 | 0 | 0 | 115.5 | R985 S1038 P1039 P1041 H1042 Y1431 | S983-R985 VanDerWaalsContact C-N 3.3Å; S983-R985 PolarHBondContact O-N 3.33Å; S983-S1038 WeakPolarHBondContact OG-CB 3.37Å; S983-P1039 WeakPolarHBondContact CB-O 3.24Å; S983-P1039 PolarHBondContact OG-O 3.33Å; S983-P1041 WeakPolarHBondContact CB-O 3.45Å; S983-H1042 PolarHBondContact N-NE2 3.23Å; S983-Y1431 VanDerWaalsContact C-OH 3.31Å; S983-Y1431 WeakPolarHBondContact CA-OH 3.28Å; S983-Y1431 PolarHBondContact O-OH 2.97Å |
| 984 | G | 92.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 5.6 Ų | 5.6 | 1% | 0.01 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A982 F986 R1451 | A982-G984 PolarHBondContact O-N 3.13Å; A982-G984 VanDerWaalsContact O-N 3.1Å; G984-F986 PolarHBondContact O-N 3.05Å; G984-F986 VanDerWaalsContact O-N 3.13Å; G984-R1451 WeakPolarHBondContact O-CD 3.32Å; G984-R1451 PolarHBondContact O-NE 3.26Å; G984-R1451 VanDerWaalsContact O-NE 3.12Å |
| 985 | R | 95 | Very high | 94.9 | Very high | 6 Ų | 6 | 6.2 Ų | 6.2 | 2% | 0.023 | 4% | 0.037 | C | C | . | . | trans | 50.1 | 28.7 | -171.6 | -63.3 | -66.2 | -172.9 | -78.4 | -0.2 | 114 | A982 S983 G987 V988 H1042 D1044 Y1431 | A982-R985 PolarHBondContact O-N 3.48Å; A982-R985 PolarHBondContact O-NH1 2.99Å; S983-R985 VanDerWaalsContact C-N 3.3Å; S983-R985 PolarHBondContact O-N 3.33Å; R985-G987 PolarHBondContact O-N 3.33Å; R985-V988 HydrophobicContact CB-CB 4.45Å; R985-V988 PolarHBondContact O-N 2.95Å; R985-H1042 PolarHBondContact NH1-CE1 3.44Å; R985-H1042 PolarHBondContact NH1-ND1 3.32Å; R985-H1042 PolarHBondContact NH2-ND1 3.16Å; R985-H1042 VanDerWaalsContact NH2-ND1 3.19Å; R985-D1044 IonicContact CZ-OD1 2.75Å; R985-D1044 IonicContact CZ-OD2 3.27Å; R985-D1044 IonicContact NH2-OD1 3.37Å; R985-D1044 PolarHBondContact NH2-OD1 3.45Å; R985-D1044 IonicContact NH2-OD2 2.63Å; R985-D1044 PolarHBondContact NH2-OD2 3.39Å; R985-Y1431 HydrophobicContact CG-CD2 4.44Å; R985-Y1431 HydrophobicContact CG-CE1 4.14Å; R985-Y1431 HydrophobicContact CG-CE2 4Å; R985-Y1431 PolarHBondContact NH1-OH 2.98Å | ||
| 986 | F | 92.7 | Very high | 94.8 | Very high | 9 Ų | 9 | 6 Ų | 6 | 4% | 0.039 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 123 | -178.9 | -59.7 | -56.3 | 0 | 0 | 0 | 111.2 | E961 G963 G984 V988 R1028 L1036 S1038 | E961-F986 WeakPolarHBondContact O-CB 3.3Å; E961-F986 WeakPolarHBondContact O-CD2 3.43Å; G963-F986 PolarHBondContact N-O 3.24Å; G984-F986 PolarHBondContact O-N 3.05Å; G984-F986 VanDerWaalsContact O-N 3.13Å; F986-V988 PolarHBondContact O-N 2.96Å; F986-R1028 HydrophobicContact CB-CB 4Å; F986-R1028 HydrophobicContact CB-CG 3.9Å; F986-R1028 HydrophobicContact CD1-CB 3.98Å; F986-R1028 HydrophobicContact CD1-CG 4.49Å; F986-R1028 HydrophobicContact CG-CB 4.18Å; F986-R1028 HydrophobicContact CG-CG 4.22Å; F986-L1036 HydrophobicContact CE1-CD1 4.18Å; F986-L1036 HydrophobicContact CE1-CD2 4.26Å; F986-L1036 HydrophobicContact CZ-CB 4Å; F986-L1036 HydrophobicContact CZ-CD1 4.19Å; F986-L1036 HydrophobicContact CZ-CD2 4.37Å; F986-L1036 HydrophobicContact CZ-CG 4.42Å; F986-S1038 WeakPolarHBondContact CE2-OG 3.46Å |
| 987 | G | 90.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 12 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R985 N989 Y992 T1027 | R985-G987 PolarHBondContact O-N 3.33Å; G987-N989 PolarHBondContact O-N 2.78Å; G987-Y992 WeakPolarHBondContact O-CB 3.42Å; G987-T1027 WeakPolarHBondContact CA-O 3.36Å |
| 988 | V | 95.9 | Very high | 94.6 | Very high | 3 Ų | 3 | 11.1 Ų | 11.1 | 2% | 0.018 | 6% | 0.058 | C | C | . | . | trans | -87.2 | 87.2 | -178.5 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | V981 R985 F986 Y992 L993 F1378 | V981-V988 HydrophobicContact CG2-CG1 4.32Å; R985-V988 HydrophobicContact CB-CB 4.45Å; R985-V988 PolarHBondContact O-N 2.95Å; F986-V988 PolarHBondContact O-N 2.96Å; V988-Y992 HydrophobicContact CB-CD1 4.46Å; V988-Y992 HydrophobicContact CG1-CD1 4.23Å; V988-Y992 HydrophobicContact CG1-CE1 4.45Å; V988-Y992 HydrophobicContact CG2-CD1 4.42Å; V988-Y992 HydrophobicContact CG2-CE1 4.09Å; V988-L993 HydrophobicContact CG1-CD1 4.31Å; V988-L993 HydrophobicContact CG1-CD2 3.93Å; V988-L993 HydrophobicContact CG1-CG 4.2Å; V988-F1378 HydrophobicContact CG1-CE1 4.32Å | ||
| 989 | N | 94.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 11 Ų | 11 | 5% | 0.048 | 6% | 0.058 | C | C | . | . | trans | -112.7 | 174.8 | 173.1 | 66.9 | 39.5 | 0 | 0 | 0 | 111.6 | G987 S991 Y992 L993 E1354 S1400 | G987-N989 PolarHBondContact O-N 2.78Å; N989-S991 VanDerWaalsContact C-N 3.28Å; N989-S991 PolarHBondContact O-N 2.96Å; N989-S991 WeakPolarHBondContact OD1-CB 3.19Å; N989-S991 PolarHBondContact OD1-N 3.42Å; N989-Y992 WeakPolarHBondContact O-CB 3.33Å; N989-Y992 PolarHBondContact O-N 3.44Å; N989-Y992 PolarHBondContact OD1-N 2.66Å; N989-L993 WeakPolarHBondContact O-CG 3.2Å; N989-L993 PolarHBondContact O-N 2.68Å; N989-L993 VanDerWaalsContact O-N 3.14Å; N989-E1354 PolarHBondContact ND2-OE1 3.11Å; N989-S1400 WeakPolarHBondContact CA-OG 3.34Å | ||
| 990 | S | 95.3 | Very high | 94.7 | Very high | 8 Ų | 8 | 11.2 Ų | 11.2 | 6% | 0.056 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58 | -36.8 | -178.7 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | L993 A994 S1349 F1378 S1400 | S990-L993 PolarHBondContact O-N 3.46Å; S990-A994 WeakPolarHBondContact O-CB 3.34Å; S990-A994 PolarHBondContact O-N 3.46Å; S990-S1349 WeakPolarHBondContact CB-OG 3.25Å; S990-S1349 PolarHBondContact OG-OG 3.06Å; S990-F1378 WeakPolarHBondContact CB-O 3.22Å; S990-S1400 PolarHBondContact N-OG 2.87Å |
| 991 | S | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -71 | -41.6 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | Y969 N989 L993 A994 H995 A1353 E1354 | Y969-S991 WeakPolarHBondContact CD2-OG 3.42Å; N989-S991 VanDerWaalsContact C-N 3.28Å; N989-S991 PolarHBondContact O-N 2.96Å; N989-S991 WeakPolarHBondContact OD1-CB 3.19Å; N989-S991 PolarHBondContact OD1-N 3.42Å; S991-L993 VanDerWaalsContact C-N 3.3Å; S991-L993 PolarHBondContact O-N 2.76Å; S991-A994 PolarHBondContact O-N 3.08Å; S991-H995 PolarHBondContact O-N 2.93Å; S991-H995 PolarHBondContact O-ND1 2.84Å; S991-H995 PolarHBondContact OG-ND1 3.42Å; S991-A1353 WeakPolarHBondContact OG-CA 3.34Å; S991-E1354 VanDerWaalsContact CB-CG 3.49Å; S991-E1354 PolarHBondContact OG-N 2.8Å |
| 992 | Y | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -54 | -50.7 | 173.1 | 174.2 | -94.6 | 0 | 0 | 0 | 109.9 | T959 E964 Y969 K979 Q980 G987 V988 N989 A994 H995 | T959-Y992 HydrophobicContact CG2-CE2 4.17Å; T959-Y992 PolarHBondContact OG1-OH 3.02Å; E964-Y992 HydrophobicContact CB-CD2 4.37Å; E964-Y992 HydrophobicContact CB-CE2 4.17Å; Y969-Y992 HydrophobicContact CE1-CD2 4.24Å; K979-Y992 HydrophobicContact CB-CD1 4.36Å; K979-Y992 HydrophobicContact CB-CE1 3.66Å; K979-Y992 HydrophobicContact CB-CE2 4.12Å; K979-Y992 HydrophobicContact CD-CD1 4.02Å; K979-Y992 HydrophobicContact CD-CD2 3.5Å; K979-Y992 VanDerWaalsContact CD-CD2 3.5Å; K979-Y992 HydrophobicContact CD-CE1 4.01Å; K979-Y992 HydrophobicContact CD-CE2 3.46Å; K979-Y992 VanDerWaalsContact CD-CE2 3.46Å; K979-Y992 HydrophobicContact CD-CG 3.79Å; K979-Y992 WeakPolarHBondContact CD-O 3.4Å; K979-Y992 WeakPolarHBondContact CE-O 3.49Å; K979-Y992 HydrophobicContact CG-CE1 4.45Å; K979-Y992 HydrophobicContact CG-CE2 4.18Å; Q980-Y992 PolarHBondContact N-OH 2.78Å; Q980-Y992 PolarHBondContact O-OH 2.82Å; G987-Y992 WeakPolarHBondContact O-CB 3.42Å; V988-Y992 HydrophobicContact CB-CD1 4.46Å; V988-Y992 HydrophobicContact CG1-CD1 4.23Å; V988-Y992 HydrophobicContact CG1-CE1 4.45Å; V988-Y992 HydrophobicContact CG2-CD1 4.42Å; V988-Y992 HydrophobicContact CG2-CE1 4.09Å; N989-Y992 WeakPolarHBondContact O-CB 3.33Å; N989-Y992 PolarHBondContact O-N 3.44Å; N989-Y992 PolarHBondContact OD1-N 2.66Å; Y992-A994 PolarHBondContact O-N 3.07Å; Y992-H995 PolarHBondContact O-N 2.62Å |
| 993 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | -179.7 | -61.9 | 175.7 | 0 | 0 | 0 | 113.1 | V981 V988 N989 S990 S991 H995 A996 L999 L1058 A1061 N1062 F1378 | V981-L993 HydrophobicContact CG2-CD2 3.93Å; V988-L993 HydrophobicContact CG1-CD1 4.31Å; V988-L993 HydrophobicContact CG1-CD2 3.93Å; V988-L993 HydrophobicContact CG1-CG 4.2Å; N989-L993 WeakPolarHBondContact O-CG 3.2Å; N989-L993 PolarHBondContact O-N 2.68Å; N989-L993 VanDerWaalsContact O-N 3.14Å; S990-L993 PolarHBondContact O-N 3.46Å; S991-L993 VanDerWaalsContact C-N 3.3Å; S991-L993 PolarHBondContact O-N 2.76Å; L993-H995 VanDerWaalsContact C-N 3.29Å; L993-H995 PolarHBondContact O-N 2.8Å; L993-A996 PolarHBondContact O-N 3Å; L993-L999 HydrophobicContact CD2-CD1 4.3Å; L993-L999 HydrophobicContact CD2-CD2 3.51Å; L993-L1058 HydrophobicContact CD1-CD2 4.31Å; L993-L1058 HydrophobicContact CD2-CD2 3.97Å; L993-A1061 HydrophobicContact CB-CB 4.15Å; L993-A1061 HydrophobicContact CD1-CB 3.75Å; L993-N1062 PolarHBondContact O-ND2 2.88Å; L993-F1378 HydrophobicContact CD1-CD1 3.6Å; L993-F1378 HydrophobicContact CD1-CD2 3.9Å; L993-F1378 HydrophobicContact CD1-CE1 3.59Å; L993-F1378 HydrophobicContact CD1-CE2 3.88Å; L993-F1378 HydrophobicContact CD1-CG 3.76Å; L993-F1378 HydrophobicContact CD1-CZ 3.73Å |
| 994 | A | 93.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.6 | -27.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S990 S991 Y992 N1062 Y1346 | S990-A994 WeakPolarHBondContact O-CB 3.34Å; S990-A994 PolarHBondContact O-N 3.46Å; S991-A994 PolarHBondContact O-N 3.08Å; Y992-A994 PolarHBondContact O-N 3.07Å; A994-N1062 PolarHBondContact O-ND2 3.06Å; A994-Y1346 HydrophobicContact CB-CD2 3.82Å; A994-Y1346 HydrophobicContact CB-CE2 4.1Å |
| 995 | H | 93.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 14.1 Ų | 14.1 | 17% | 0.171 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 26.7 | -177.9 | -61.7 | 86.8 | 0 | 0 | 0 | 113.1 | Y969 K979 S991 Y992 L993 S1349 | Y969-H995 HydrophobicContact CG-CB 4.39Å; K979-H995 VanDerWaalsContact CE-C 3.45Å; K979-H995 WeakPolarHBondContact CE-O 3.36Å; K979-H995 PolarHBondContact NZ-O 3.18Å; K979-H995 VanDerWaalsContact NZ-O 3.16Å; S991-H995 PolarHBondContact O-N 2.93Å; S991-H995 PolarHBondContact O-ND1 2.84Å; S991-H995 PolarHBondContact OG-ND1 3.42Å; Y992-H995 PolarHBondContact O-N 2.62Å; L993-H995 VanDerWaalsContact C-N 3.29Å; L993-H995 PolarHBondContact O-N 2.8Å; H995-S1349 PolarHBondContact CE1-O 2.86Å |
| 996 | A | 92.9 | Very high | 94.1 | Very high | 9 Ų | 9 | 14 Ų | 14 | 7% | 0.074 | 7% | 0.072 | C | C | . | . | trans | -102.3 | 137.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K979 L993 L999 N1062 | K979-A996 HydrophobicContact CB-CB 3.84Å; K979-A996 HydrophobicContact CD-CB 4.13Å; K979-A996 HydrophobicContact CG-CB 3.7Å; L993-A996 PolarHBondContact O-N 3Å; A996-L999 HydrophobicContact CB-CD2 3.53Å; A996-L999 HydrophobicContact CB-CG 3.97Å; A996-N1062 PolarHBondContact O-ND2 3.19Å | ||
| 997 | E | 91.6 | Very high | 93.9 | Very high | 114 Ų | 114 | 13.6 Ų | 13.6 | 53% | 0.533 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -80.9 | -36.8 | 165.1 | -171.4 | -175.7 | 163 | 0 | 0 | 110 | A977 S1065 V1066 | A977-E997 HydrophobicContact CB-CB 4.28Å; A977-E997 PolarHBondContact O-N 3.36Å; E997-S1065 VanDerWaalsContact C-OG 3.28Å; E997-S1065 VanDerWaalsContact O-CA 3.32Å; E997-S1065 WeakPolarHBondContact O-CA 3.44Å; E997-S1065 PolarHBondContact O-OG 2.89Å; E997-V1066 PolarHBondContact O-N 2.7Å; E997-V1066 VanDerWaalsContact O-N 3.15Å |
| 998 | M | 94.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.025 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 134.5 | 175.5 | 176.4 | -177.6 | -75.3 | 0 | 0 | 110.4 | A977 I978 K979 S1065 V1066 H1091 | A977-M998 PolarHBondContact O-N 2.83Å; A977-M998 VanDerWaalsContact O-N 3.08Å; I978-M998 CarbonylContact C-O 3.55Å; I978-M998 VanDerWaalsContact CA-O 3.29Å; I978-M998 WeakPolarHBondContact CA-O 3.31Å; I978-M998 HydrophobicContact CD1-SD 4.21Å; I978-M998 HydrophobicContact CG1-CB 3.99Å; I978-M998 HydrophobicContact CG1-CG 4.31Å; I978-M998 HydrophobicContact CG1-SD 3.95Å; I978-M998 HydrophobicContact CG2-CB 4.44Å; I978-M998 HydrophobicContact CG2-CG 4.26Å; I978-M998 HydrophobicContact CG2-SD 4.36Å; K979-M998 PolarHBondContact N-O 2.73Å; M998-S1065 WeakPolarHBondContact CA-OG 3.06Å; M998-S1065 PolarHBondContact N-OG 2.9Å; M998-V1066 CarbonylContact C-O 2.76Å; M998-V1066 VanDerWaalsContact CA-O 3.27Å; M998-V1066 WeakPolarHBondContact CA-O 3.35Å; M998-V1066 HydrophobicContact CB-CB 4.44Å; M998-V1066 HydrophobicContact CE-CB 4.07Å; M998-V1066 HydrophobicContact CE-CG1 3.82Å; M998-V1066 HydrophobicContact CG-CB 4.3Å; M998-V1066 VanDerWaalsContact CG-O 3.29Å; M998-V1066 WeakPolarHBondContact CG-O 3.49Å; M998-H1091 HydrophobicContact CE-CB 4.15Å |
| 999 | L | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 173.9 | -69.3 | 171 | 0 | 0 | 0 | 109 | K979 L993 A996 L1058 N1062 S1065 V1066 V1067 S1068 | K979-L999 HydrophobicContact CB-CD2 4.14Å; K979-L999 WeakPolarHBondContact O-CA 3.24Å; L993-L999 HydrophobicContact CD2-CD1 4.3Å; L993-L999 HydrophobicContact CD2-CD2 3.51Å; A996-L999 HydrophobicContact CB-CD2 3.53Å; A996-L999 HydrophobicContact CB-CG 3.97Å; L999-L1058 HydrophobicContact CB-CD1 4.35Å; L999-L1058 HydrophobicContact CD1-CB 3.95Å; L999-L1058 HydrophobicContact CD1-CD2 4.31Å; L999-N1062 HydrophobicContact CD1-CB 4.14Å; L999-S1065 PolarHBondContact N-OG 2.92Å; L999-V1066 PolarHBondContact N-O 2.73Å; L999-V1067 CarbonylContact O-C 3.58Å; L999-V1067 WeakPolarHBondContact O-CA 3.44Å; L999-S1068 PolarHBondContact O-N 3.1Å |
| 1000 | Q | 98 | Very high | 93.2 | Very high | 3 Ų | 3 | 13.3 Ų | 13.3 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 111.9 | -178.1 | -175.1 | 178.9 | 78.7 | 0 | 0 | 111.6 | N958 I978 K979 Q980 V981 K1002 S1068 K1070 T1093 | N958-Q1000 PolarHBondContact ND2-OE1 3.12Å; I978-Q1000 HydrophobicContact CG2-CB 3.77Å; K979-Q1000 PolarHBondContact O-N 2.95Å; Q980-Q1000 CarbonylContact C-O 3.48Å; Q980-Q1000 VanDerWaalsContact CA-O 3.32Å; Q980-Q1000 WeakPolarHBondContact CA-O 3.31Å; Q980-Q1000 WeakPolarHBondContact CG-O 3.34Å; V981-Q1000 PolarHBondContact N-O 3.46Å; Q1000-K1002 PolarHBondContact O-N 2.93Å; Q1000-S1068 CarbonylContact C-O 3.48Å; Q1000-S1068 WeakPolarHBondContact CA-O 3.39Å; Q1000-K1070 HydrophobicContact CG-CB 4.03Å; Q1000-T1093 PolarHBondContact NE2-OG1 3.48Å |
| 1001 | I | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.9 | 168.5 | -57.8 | 170.4 | 0 | 0 | 0 | 108.2 | V981 M1003 I1045 L1051 L1054 I1055 L1058 V1067 S1068 V1069 K1070 | V981-I1001 WeakPolarHBondContact O-CA 3.44Å; I1001-M1003 HydrophobicContact CG2-CG 4.46Å; I1001-M1003 HydrophobicContact CG2-SD 3.78Å; I1001-M1003 PolarHBondContact O-N 2.87Å; I1001-I1045 HydrophobicContact CG2-CD1 3.98Å; I1001-L1051 HydrophobicContact CD1-CD1 3.72Å; I1001-L1051 HydrophobicContact CG2-CD1 4.12Å; I1001-L1054 HydrophobicContact CD1-CB 4.48Å; I1001-L1054 HydrophobicContact CD1-CD2 3.86Å; I1001-L1054 HydrophobicContact CD1-CG 3.9Å; I1001-L1054 HydrophobicContact CG1-CD2 3.96Å; I1001-L1054 HydrophobicContact CG1-CG 4.35Å; I1001-L1054 HydrophobicContact CG2-CD2 3.98Å; I1001-I1055 HydrophobicContact CD1-CG1 3.7Å; I1001-L1058 HydrophobicContact CD1-CD1 3.85Å; I1001-L1058 HydrophobicContact CG1-CD1 3.53Å; I1001-V1067 HydrophobicContact CD1-CG1 3.96Å; I1001-V1067 HydrophobicContact CG1-CG1 4.35Å; I1001-S1068 PolarHBondContact N-O 2.59Å; I1001-V1069 HydrophobicContact CB-CG2 4.45Å; I1001-V1069 HydrophobicContact CD1-CG2 4.29Å; I1001-K1070 PolarHBondContact O-N 3.44Å |
| 1002 | K | 96.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 14 Ų | 14 | 7% | 0.065 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 92 | 178.4 | -175.6 | -151.7 | 179.6 | -166 | 0 | 110.2 | E961 Q980 V981 A982 Q1000 Q1005 H1042 | E961-K1002 IonicContact OE2-NZ 3.29Å; E961-K1002 PolarHBondContact OE2-NZ 3.32Å; Q980-K1002 HydrophobicContact CG-CB 3.77Å; V981-K1002 PolarHBondContact O-N 3.17Å; A982-K1002 HydrophobicContact CB-CB 4.04Å; A982-K1002 HydrophobicContact CB-CD 3.77Å; Q1000-K1002 PolarHBondContact O-N 2.93Å; K1002-Q1005 VanDerWaalsContact CE-OE1 3.27Å; K1002-H1042 PolarHBondContact O-NE2 2.84Å |
| 1003 | M | 94.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 13.9 Ų | 13.9 | 15% | 0.153 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -70.1 | -46.3 | 172 | -60.6 | -52.4 | -59.6 | 0 | 0 | 110.7 | V542 I1001 I1045 L1051 V1069 K1070 L1071 | V542-M1003 HydrophobicContact CG2-CE 3.95Å; V542-M1003 HydrophobicContact CG2-CG 3.84Å; V542-M1003 HydrophobicContact CG2-SD 4.32Å; I1001-M1003 HydrophobicContact CG2-CG 4.46Å; I1001-M1003 HydrophobicContact CG2-SD 3.78Å; I1001-M1003 PolarHBondContact O-N 2.87Å; M1003-I1045 HydrophobicContact CE-CB 4.37Å; M1003-I1045 HydrophobicContact CE-CD1 4.18Å; M1003-I1045 HydrophobicContact CE-CG2 3.84Å; M1003-I1045 HydrophobicContact SD-CD1 3.61Å; M1003-L1051 HydrophobicContact SD-CD1 4.3Å; M1003-V1069 HydrophobicContact CG-CG1 3.75Å; M1003-K1070 WeakPolarHBondContact CB-O 3.48Å; M1003-K1070 PolarHBondContact N-O 3.23Å; M1003-K1070 VanDerWaalsContact N-O 3.14Å; M1003-L1071 HydrophobicContact CB-CD2 4.14Å; M1003-L1071 HydrophobicContact CG-CD2 4.01Å |
| 1004 | A | 91.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 15.6 Ų | 15.6 | 4% | 0.041 | 8% | 0.081 | C | C | . | . | trans | -151.9 | 173 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1009 K1070 V1072 | A1004-P1009 HydrophobicContact CB-CB 4.17Å; A1004-K1070 PolarHBondContact N-O 3.2Å; A1004-V1072 HydrophobicContact CB-CB 4.2Å; A1004-V1072 HydrophobicContact CB-CG2 3.51Å | ||
| 1005 | Q | 90.4 | Very high | 91.2 | Very high | 29 Ų | 29 | 15.5 Ų | 15.5 | 14% | 0.136 | 8% | 0.079 | C | C | . | . | trans | -137.5 | 145.2 | 170.4 | 62.4 | 175.6 | 81.5 | 0 | 0 | 110.3 | K1002 A1007 K1008 P1009 T1101 | K1002-Q1005 VanDerWaalsContact CE-OE1 3.27Å; Q1005-A1007 VanDerWaalsContact C-N 3.29Å; Q1005-A1007 PolarHBondContact O-N 3.22Å; Q1005-A1007 VanDerWaalsContact O-N 3.15Å; Q1005-K1008 HydrophobicContact CG-CG 3.7Å; Q1005-K1008 CarbonylContact O-C 3.44Å; Q1005-K1008 VanDerWaalsContact O-C 3.32Å; Q1005-K1008 PolarHBondContact O-N 2.76Å; Q1005-K1008 VanDerWaalsContact O-N 3.07Å; Q1005-P1009 WeakPolarHBondContact O-CD 3.21Å; Q1005-P1009 VanDerWaalsContact O-N 3.1Å; Q1005-T1101 PolarHBondContact NE2-OG1 3.5Å | ||
| 1006 | G | 88.7 | Confident | 91 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 3% | 0.031 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1008 P1009 G1096 | G1006-K1008 VanDerWaalsContact C-N 3.31Å; G1006-K1008 PolarHBondContact O-N 3.4Å; G1006-P1009 WeakPolarHBondContact O-CD 3.42Å; G1006-G1096 WeakPolarHBondContact CA-O 3.34Å |
| 1007 | A | 88.5 | Confident | 90.7 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q1005 G1099 T1101 G1108 I1109 | Q1005-A1007 VanDerWaalsContact C-N 3.29Å; Q1005-A1007 PolarHBondContact O-N 3.22Å; Q1005-A1007 VanDerWaalsContact O-N 3.15Å; A1007-G1099 WeakPolarHBondContact CB-O 3.4Å; A1007-T1101 HydrophobicContact CB-CG2 3.64Å; A1007-G1108 CarbonylContact O-C 3.25Å; A1007-G1108 VanDerWaalsContact O-O 3.11Å; A1007-I1109 WeakPolarHBondContact O-CA 3.42Å; A1007-I1109 PolarHBondContact O-N 3.31Å |
| 1008 | K | 91.2 | Very high | 90.6 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -162.8 | 62 | -176.3 | 52.2 | 166.7 | 173 | -173.6 | 0 | 112 | Q1005 G1006 E1011 G1012 A1103 S1104 | Q1005-K1008 HydrophobicContact CG-CG 3.7Å; Q1005-K1008 CarbonylContact O-C 3.44Å; Q1005-K1008 VanDerWaalsContact O-C 3.32Å; Q1005-K1008 PolarHBondContact O-N 2.76Å; Q1005-K1008 VanDerWaalsContact O-N 3.07Å; G1006-K1008 VanDerWaalsContact C-N 3.31Å; G1006-K1008 PolarHBondContact O-N 3.4Å; K1008-E1011 HydrophobicContact CB-CB 4.19Å; K1008-E1011 HydrophobicContact CD-CB 4.46Å; K1008-E1011 PolarHBondContact O-N 2.97Å; K1008-G1012 WeakPolarHBondContact CE-O 3.41Å; K1008-G1012 PolarHBondContact NZ-O 3.25Å; K1008-A1103 WeakPolarHBondContact CE-O 3.49Å; K1008-A1103 PolarHBondContact NZ-O 2.8Å; K1008-S1104 WeakPolarHBondContact CB-OG 3.28Å |
| 1009 | P | 90.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 149.7 | 176.7 | 33.2 | -37 | 0 | 0 | 0 | 110.6 | F539 A1004 Q1005 G1006 E1011 V1072 A1112 | F539-P1009 HydrophobicContact CB-CB 4.43Å; F539-P1009 HydrophobicContact CD1-CB 3.49Å; F539-P1009 VanDerWaalsContact CD1-CB 3.49Å; F539-P1009 HydrophobicContact CD1-CG 3.37Å; F539-P1009 HydrophobicContact CD2-CB 3.57Å; F539-P1009 HydrophobicContact CD2-CG 4.4Å; F539-P1009 HydrophobicContact CE1-CB 3.51Å; F539-P1009 HydrophobicContact CE1-CG 3.4Å; F539-P1009 VanDerWaalsContact CE1-CG 3.4Å; F539-P1009 HydrophobicContact CE2-CB 3.55Å; F539-P1009 HydrophobicContact CE2-CG 4.39Å; F539-P1009 HydrophobicContact CG-CB 3.53Å; F539-P1009 HydrophobicContact CG-CG 3.92Å; F539-P1009 HydrophobicContact CZ-CB 3.54Å; F539-P1009 HydrophobicContact CZ-CG 3.94Å; A1004-P1009 HydrophobicContact CB-CB 4.17Å; Q1005-P1009 WeakPolarHBondContact O-CD 3.21Å; Q1005-P1009 VanDerWaalsContact O-N 3.1Å; G1006-P1009 WeakPolarHBondContact O-CD 3.42Å; P1009-E1011 PolarHBondContact O-N 2.94Å; P1009-V1072 HydrophobicContact CB-CB 4.26Å; P1009-V1072 HydrophobicContact CB-CG1 4.14Å; P1009-V1072 HydrophobicContact CB-CG2 4.26Å; P1009-V1072 HydrophobicContact CG-CG1 4.37Å; P1009-A1112 HydrophobicContact CG-CB 3.71Å |
| 1010 | G | 85.1 | Confident | 90.3 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 8% | 0.082 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 10.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1011 | E | 88.1 | Confident | 90.1 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 8% | 0.075 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -128.4 | 156.5 | -179.4 | -59.7 | 178.6 | -149 | 0 | 0 | 112.4 | K769 K773 K1008 P1009 | K769-E1011 WeakPolarHBondContact CE-OE2 3.4Å; K769-E1011 IonicContact NZ-OE1 3.68Å; K769-E1011 IonicContact NZ-OE2 3.55Å; K769-E1011 PolarHBondContact NZ-OE2 3.35Å; K773-E1011 WeakPolarHBondContact CE-OE1 3.45Å; K773-E1011 HydrophobicContact CG-CG 4.3Å; K773-E1011 IonicContact NZ-OE1 3.2Å; K773-E1011 PolarHBondContact NZ-OE1 2.78Å; K773-E1011 VanDerWaalsContact NZ-OE1 3.12Å; K1008-E1011 HydrophobicContact CB-CB 4.19Å; K1008-E1011 HydrophobicContact CD-CB 4.46Å; K1008-E1011 PolarHBondContact O-N 2.97Å; P1009-E1011 PolarHBondContact O-N 2.94Å |
| 1012 | G | 80 | Confident | 89.8 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | trans | -74.1 | 157.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1008 S1038 | K1008-G1012 WeakPolarHBondContact CE-O 3.41Å; K1008-G1012 PolarHBondContact NZ-O 3.25Å; G1012-S1038 WeakPolarHBondContact CA-O 3.22Å | ||
| 1013 | G | 84.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -54.4 | 141.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E961 I1037 S1038 | E961-G1013 WeakPolarHBondContact OE1-CA 3.37Å; E961-G1013 WeakPolarHBondContact OE2-CA 3.38Å; G1013-I1037 WeakPolarHBondContact O-CA 3.35Å; G1013-S1038 PolarHBondContact O-N 3.29Å; G1013-S1038 PolarHBondContact O-OG 3.15Å | ||
| 1014 | E | 87.6 | Confident | 89.6 | Confident | 36 Ų | 36 | 24.4 Ų | 24.4 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 121.6 | -178 | -71.2 | -175.5 | -171.7 | 0 | 0 | 108.7 | L512 K769 A1103 | L512-E1014 VanDerWaalsContact CD2-OE2 3.28Å; L512-E1014 WeakPolarHBondContact CD2-OE2 3.23Å; K769-E1014 IonicContact NZ-OE1 2.75Å; K769-E1014 PolarHBondContact NZ-OE1 3.43Å; E1014-A1103 HydrophobicContact CB-CB 4.33Å |
| 1015 | L | 91.4 | Very high | 89.6 | Confident | 7 Ų | 7 | 24.2 Ų | 24.2 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 110.6 | 172.8 | -173.6 | 64.8 | 0 | 0 | 0 | 109.6 | K1019 V1020 I1024 L1036 | L1015-K1019 HydrophobicContact CD1-CB 3.78Å; L1015-K1019 HydrophobicContact CD1-CD 4.08Å; L1015-K1019 HydrophobicContact CG-CB 4.21Å; L1015-V1020 HydrophobicContact CD2-CG2 3.8Å; L1015-V1020 HydrophobicContact CG-CG2 4.04Å; L1015-I1024 HydrophobicContact CD2-CG2 3.99Å; L1015-L1036 HydrophobicContact CB-CB 4.35Å; L1015-L1036 PolarHBondContact N-O 2.75Å; L1015-L1036 PolarHBondContact O-N 3Å |
| 1016 | P | 89.3 | Confident | 89.6 | Confident | 21 Ų | 21 | 27.7 Ų | 27.7 | 14% | 0.136 | 14% | 0.141 | C | C | . | . | trans | -57.6 | 141.1 | 178.3 | -27.2 | 36 | 0 | 0 | 0 | 112.6 | Y1018 K1019 | P1016-Y1018 VanDerWaalsContact C-N 3.27Å; P1016-Y1018 HydrophobicContact CB-CD1 4.22Å; P1016-Y1018 HydrophobicContact CB-CD2 4.26Å; P1016-Y1018 HydrophobicContact CB-CE1 3.64Å; P1016-Y1018 HydrophobicContact CB-CE2 3.67Å; P1016-Y1018 WeakPolarHBondContact CB-OH 3.32Å; P1016-Y1018 HydrophobicContact CG-CE2 4.38Å; P1016-Y1018 PolarHBondContact O-N 3.02Å; P1016-Y1018 VanDerWaalsContact O-N 3.16Å; P1016-K1019 WeakPolarHBondContact O-CB 3.41Å; P1016-K1019 PolarHBondContact O-N 3.16Å | ||
| 1017 | G | 87.1 | Confident | 89.8 | Confident | 13 Ų | 13 | 28 Ų | 28 | 13% | 0.134 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -59 | -32.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1019 V1020 G1033 G1035 | G1017-K1019 PolarHBondContact O-N 3.18Å; G1017-K1019 VanDerWaalsContact O-N 3.13Å; G1017-V1020 WeakPolarHBondContact O-CB 3.38Å; G1017-V1020 PolarHBondContact O-N 2.83Å; G1017-G1033 CarbonylContact C-O 3.51Å; G1017-G1033 WeakPolarHBondContact CA-O 3.28Å; G1017-G1033 CarbonylContact O-C 3.58Å; G1017-G1033 WeakPolarHBondContact O-CA 3.49Å; G1017-G1035 VanDerWaalsContact CA-CA 3.49Å |
| 1018 | Y | 89 | Confident | 90 | Very high | 125 Ų | 125 | 28.1 Ų | 28.1 | 49% | 0.49 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -70 | -4.6 | 174.7 | 53.4 | -105.1 | 0 | 0 | 0 | 114.4 | P1016 H1180 N1182 | P1016-Y1018 VanDerWaalsContact C-N 3.27Å; P1016-Y1018 HydrophobicContact CB-CD1 4.22Å; P1016-Y1018 HydrophobicContact CB-CD2 4.26Å; P1016-Y1018 HydrophobicContact CB-CE1 3.64Å; P1016-Y1018 HydrophobicContact CB-CE2 3.67Å; P1016-Y1018 WeakPolarHBondContact CB-OH 3.32Å; P1016-Y1018 HydrophobicContact CG-CE2 4.38Å; P1016-Y1018 PolarHBondContact O-N 3.02Å; P1016-Y1018 VanDerWaalsContact O-N 3.16Å; Y1018-H1180 WeakPolarHBondContact CE2-O 3.18Å; Y1018-H1180 VanDerWaalsContact CZ-O 3.3Å; Y1018-H1180 PolarHBondContact OH-O 3.01Å; Y1018-N1182 HydrophobicContact CD2-CB 3.66Å; Y1018-N1182 HydrophobicContact CE2-CB 3.73Å; Y1018-N1182 PolarHBondContact O-ND2 3.19Å |
| 1019 | K | 94.3 | Very high | 90 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -99 | -8 | 167.8 | -61.4 | -171.2 | 71.5 | 178.3 | 0 | 112.5 | G936 S937 L1015 P1016 G1017 T1021 C1179 N1182 A1189 Q1191 | G936-K1019 WeakPolarHBondContact O-CE 3.35Å; G936-K1019 PolarHBondContact O-NZ 2.96Å; S937-K1019 PolarHBondContact O-NZ 2.83Å; L1015-K1019 HydrophobicContact CD1-CB 3.78Å; L1015-K1019 HydrophobicContact CD1-CD 4.08Å; L1015-K1019 HydrophobicContact CG-CB 4.21Å; P1016-K1019 WeakPolarHBondContact O-CB 3.41Å; P1016-K1019 PolarHBondContact O-N 3.16Å; G1017-K1019 PolarHBondContact O-N 3.18Å; G1017-K1019 VanDerWaalsContact O-N 3.13Å; K1019-T1021 VanDerWaalsContact C-N 3.32Å; K1019-T1021 PolarHBondContact O-N 3.42Å; K1019-T1021 VanDerWaalsContact O-N 3.11Å; K1019-C1179 PolarHBondContact NZ-O 2.9Å; K1019-N1182 HydrophobicContact CD-CB 4.22Å; K1019-N1182 HydrophobicContact CG-CB 3.78Å; K1019-A1189 PolarHBondContact NZ-O 3.18Å; K1019-Q1191 HydrophobicContact CB-CG 4.1Å; K1019-Q1191 VanDerWaalsContact O-CG 3.3Å; K1019-Q1191 WeakPolarHBondContact O-CG 3.18Å |
| 1020 | V | 92.7 | Very high | 89.9 | Confident | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | trans | -88.2 | 76.8 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | L1015 G1017 I1024 A1025 G1033 V1034 L1036 | L1015-V1020 HydrophobicContact CD2-CG2 3.8Å; L1015-V1020 HydrophobicContact CG-CG2 4.04Å; G1017-V1020 WeakPolarHBondContact O-CB 3.38Å; G1017-V1020 PolarHBondContact O-N 2.83Å; V1020-I1024 HydrophobicContact CG1-CG2 4.43Å; V1020-A1025 HydrophobicContact CG1-CB 4.05Å; V1020-G1033 PolarHBondContact O-N 2.98Å; V1020-V1034 VanDerWaalsContact CG2-O 3.28Å; V1020-V1034 WeakPolarHBondContact CG2-O 3.14Å; V1020-L1036 HydrophobicContact CG1-CD1 4.4Å; V1020-L1036 HydrophobicContact CG2-CD1 4.18Å; V1020-L1036 HydrophobicContact CG2-CG 4.14Å | ||
| 1021 | T | 93 | Very high | 89.8 | Confident | 42 Ų | 42 | 32.3 Ų | 32.3 | 26% | 0.258 | 16% | 0.16 | S | C | . | . | trans | -70.5 | 172.9 | 173 | 61.4 | 0 | 0 | 0 | 0 | 110.6 | K1019 E1023 I1024 A1025 Q1191 | K1019-T1021 VanDerWaalsContact C-N 3.32Å; K1019-T1021 PolarHBondContact O-N 3.42Å; K1019-T1021 VanDerWaalsContact O-N 3.11Å; T1021-E1023 PolarHBondContact O-N 3.48Å; T1021-I1024 PolarHBondContact O-N 3.16Å; T1021-I1024 WeakPolarHBondContact OG1-CG1 3.5Å; T1021-A1025 VanDerWaalsContact O-CB 3.28Å; T1021-A1025 WeakPolarHBondContact O-CB 3.34Å; T1021-A1025 PolarHBondContact O-N 3.36Å; T1021-Q1191 HydrophobicContact CG2-CB 3.74Å | ||
| 1022 | E | 91.1 | Very high | 89.8 | Confident | 129 Ų | 129 | 34 Ų | 34 | 60% | 0.603 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -57.7 | -44.4 | 177.5 | -169.5 | 175.8 | -177.5 | 0 | 0 | 112.8 | I1024 A1025 N1026 | E1022-I1024 PolarHBondContact O-N 3.08Å; E1022-A1025 PolarHBondContact O-N 3.05Å; E1022-N1026 WeakPolarHBondContact O-CB 3.44Å; E1022-N1026 PolarHBondContact O-N 3.45Å; E1022-N1026 PolarHBondContact O-ND2 3.47Å |
| 1023 | E | 93.1 | Very high | 90 | Very high | 65 Ų | 65 | 36.2 Ų | 36.2 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 174.8 | -175.6 | -170.1 | 112.9 | 0 | 0 | 112.2 | L965 T1021 T1027 R1196 | L965-E1023 HydrophobicContact CD2-CG 4.33Å; T1021-E1023 PolarHBondContact O-N 3.48Å; E1023-T1027 PolarHBondContact O-N 3.37Å; E1023-T1027 PolarHBondContact O-OG1 3.47Å; E1023-R1196 IonicContact OE1-NH1 3.74Å; E1023-R1196 IonicContact OE2-NH1 2.78Å |
| 1024 | I | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68 | -42.8 | 179.1 | -61.5 | -57.7 | 0 | 0 | 0 | 110.7 | L935 L1015 V1020 T1021 E1022 N1026 T1027 R1028 Q1191 | L935-I1024 HydrophobicContact CD1-CD1 4.24Å; L935-I1024 HydrophobicContact CD2-CD1 4.42Å; L935-I1024 HydrophobicContact CG-CD1 3.74Å; L1015-I1024 HydrophobicContact CD2-CG2 3.99Å; V1020-I1024 HydrophobicContact CG1-CG2 4.43Å; T1021-I1024 PolarHBondContact O-N 3.16Å; T1021-I1024 WeakPolarHBondContact OG1-CG1 3.5Å; E1022-I1024 PolarHBondContact O-N 3.08Å; I1024-N1026 VanDerWaalsContact C-N 3.35Å; I1024-T1027 PolarHBondContact O-N 3.48Å; I1024-R1028 HydrophobicContact CG2-CG 4.37Å; I1024-R1028 WeakPolarHBondContact O-CB 3.43Å; I1024-R1028 VanDerWaalsContact O-CG 3.3Å; I1024-R1028 WeakPolarHBondContact O-CG 3.48Å; I1024-R1028 PolarHBondContact O-N 2.89Å; I1024-Q1191 HydrophobicContact CG1-CG 4.4Å |
| 1025 | A | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1020 T1021 E1022 R1028 Y1029 S1030 P1032 | V1020-A1025 HydrophobicContact CG1-CB 4.05Å; T1021-A1025 VanDerWaalsContact O-CB 3.28Å; T1021-A1025 WeakPolarHBondContact O-CB 3.34Å; T1021-A1025 PolarHBondContact O-N 3.36Å; E1022-A1025 PolarHBondContact O-N 3.05Å; A1025-R1028 CarbonylContact O-C 3.34Å; A1025-R1028 PolarHBondContact O-N 3.01Å; A1025-Y1029 WeakPolarHBondContact O-CA 3.39Å; A1025-Y1029 PolarHBondContact O-N 3.02Å; A1025-S1030 WeakPolarHBondContact CA-OG 3.46Å; A1025-S1030 PolarHBondContact O-N 3.33Å; A1025-P1032 HydrophobicContact CB-CB 4.26Å; A1025-P1032 HydrophobicContact CB-CG 3.7Å |
| 1026 | N | 91.5 | Very high | 89.7 | Confident | 102 Ų | 102 | 36.9 Ų | 36.9 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.3 | -70.3 | -16.2 | 0 | 0 | 0 | 111.4 | E1022 I1024 R1028 Y1029 | E1022-N1026 WeakPolarHBondContact O-CB 3.44Å; E1022-N1026 PolarHBondContact O-N 3.45Å; E1022-N1026 PolarHBondContact O-ND2 3.47Å; I1024-N1026 VanDerWaalsContact C-N 3.35Å; N1026-R1028 VanDerWaalsContact C-N 3.27Å; N1026-R1028 PolarHBondContact O-N 3.34Å; N1026-Y1029 PolarHBondContact O-N 3.34Å |
| 1027 | T | 92.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 39.4 Ų | 39.4 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -36 | 178.2 | -51.7 | 0 | 0 | 0 | 0 | 112.2 | L935 L965 G987 E1023 I1024 | L935-T1027 HydrophobicContact CD2-CG2 4.31Å; L965-T1027 WeakPolarHBondContact CD2-OG1 3.05Å; G987-T1027 WeakPolarHBondContact CA-O 3.36Å; E1023-T1027 PolarHBondContact O-N 3.37Å; E1023-T1027 PolarHBondContact O-OG1 3.47Å; I1024-T1027 PolarHBondContact O-N 3.48Å |
| 1028 | R | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -92.6 | -1.9 | -178.2 | -63.1 | -169.9 | 178.7 | -146.4 | 0.4 | 113.8 | S934 L935 G962 F986 I1024 A1025 N1026 S1030 L1036 | S934-R1028 PolarHBondContact OG-NH2 3.49Å; L935-R1028 PolarHBondContact O-NH2 3.19Å; G962-R1028 WeakPolarHBondContact O-CG 3.2Å; F986-R1028 HydrophobicContact CB-CB 4Å; F986-R1028 HydrophobicContact CB-CG 3.9Å; F986-R1028 HydrophobicContact CD1-CB 3.98Å; F986-R1028 HydrophobicContact CD1-CG 4.49Å; F986-R1028 HydrophobicContact CG-CB 4.18Å; F986-R1028 HydrophobicContact CG-CG 4.22Å; I1024-R1028 HydrophobicContact CG2-CG 4.37Å; I1024-R1028 WeakPolarHBondContact O-CB 3.43Å; I1024-R1028 VanDerWaalsContact O-CG 3.3Å; I1024-R1028 WeakPolarHBondContact O-CG 3.48Å; I1024-R1028 PolarHBondContact O-N 2.89Å; A1025-R1028 CarbonylContact O-C 3.34Å; A1025-R1028 PolarHBondContact O-N 3.01Å; N1026-R1028 VanDerWaalsContact C-N 3.27Å; N1026-R1028 PolarHBondContact O-N 3.34Å; R1028-S1030 VanDerWaalsContact C-N 3.29Å; R1028-S1030 PolarHBondContact O-N 2.94Å; R1028-L1036 HydrophobicContact CB-CD1 4.4Å; R1028-L1036 VanDerWaalsContact CD-CD1 3.41Å |
| 1029 | Y | 90.7 | Very high | 89.8 | Confident | 73 Ų | 73 | 32.9 Ų | 32.9 | 29% | 0.286 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 50.7 | -171.7 | -60.3 | -98.1 | 0 | 0 | 0 | 111.9 | A1025 N1026 I1434 S1453 T1471 | A1025-Y1029 WeakPolarHBondContact O-CA 3.39Å; A1025-Y1029 PolarHBondContact O-N 3.02Å; N1026-Y1029 PolarHBondContact O-N 3.34Å; Y1029-I1434 HydrophobicContact CD1-CD1 4.36Å; Y1029-I1434 HydrophobicContact CD1-CG2 3.6Å; Y1029-I1434 HydrophobicContact CD2-CD1 3.35Å; Y1029-I1434 HydrophobicContact CD2-CG1 4.42Å; Y1029-I1434 HydrophobicContact CD2-CG2 3.87Å; Y1029-I1434 HydrophobicContact CE1-CG2 3.36Å; Y1029-I1434 HydrophobicContact CE2-CD1 3.96Å; Y1029-I1434 HydrophobicContact CE2-CG2 3.64Å; Y1029-I1434 HydrophobicContact CG-CD1 3.56Å; Y1029-I1434 HydrophobicContact CG-CG2 3.83Å; Y1029-S1453 WeakPolarHBondContact CB-OG 3.48Å; Y1029-S1453 PolarHBondContact O-OG 2.69Å; Y1029-T1471 PolarHBondContact O-OG1 3.44Å; Y1029-T1471 VanDerWaalsContact O-OG1 3.09Å |
| 1030 | S | 88.8 | Confident | 89.7 | Confident | 15 Ų | 15 | 33.7 Ų | 33.7 | 11% | 0.105 | 20% | 0.198 | C | C | . | . | trans | -126.4 | -173.4 | -179.2 | 76.4 | 0 | 0 | 0 | 0 | 112 | A1025 R1028 | A1025-S1030 WeakPolarHBondContact CA-OG 3.46Å; A1025-S1030 PolarHBondContact O-N 3.33Å; R1028-S1030 VanDerWaalsContact C-N 3.29Å; R1028-S1030 PolarHBondContact O-N 2.94Å | ||
| 1031 | V | 83.5 | Confident | 89.8 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.055 | 20% | 0.198 | C | C | . | . | trans | -100.6 | 131.1 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | G1033 V1034 Y1568 A1571 | V1031-G1033 PolarHBondContact O-N 3.16Å; V1031-V1034 HydrophobicContact CB-CB 4.37Å; V1031-V1034 HydrophobicContact CB-CG2 3.82Å; V1031-V1034 HydrophobicContact CG1-CG2 3.85Å; V1031-V1034 PolarHBondContact O-N 2.84Å; V1031-Y1568 HydrophobicContact CG1-CD2 4.1Å; V1031-Y1568 HydrophobicContact CG2-CD2 3.61Å; V1031-Y1568 HydrophobicContact CG2-CE2 4.2Å; V1031-Y1568 HydrophobicContact CG2-CG 4.47Å; V1031-A1571 HydrophobicContact CG1-CB 3.44Å; V1031-A1571 VanDerWaalsContact CG1-CB 3.44Å | ||
| 1032 | P | 86.5 | Confident | 89.9 | Confident | 51 Ų | 51 | 32 Ų | 32 | 33% | 0.331 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 136.4 | 175.9 | -23.8 | 32.4 | 0 | 0 | 0 | 112.9 | A1025 V1034 | A1025-P1032 HydrophobicContact CB-CB 4.26Å; A1025-P1032 HydrophobicContact CB-CG 3.7Å; P1032-V1034 VanDerWaalsContact C-N 3.3Å; P1032-V1034 PolarHBondContact O-N 2.97Å |
| 1033 | G | 85.3 | Confident | 90 | Very high | 53 Ų | 53 | 25.9 Ų | 25.9 | 55% | 0.546 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -8.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | G1017 V1020 V1031 | G1017-G1033 CarbonylContact C-O 3.51Å; G1017-G1033 WeakPolarHBondContact CA-O 3.28Å; G1017-G1033 CarbonylContact O-C 3.58Å; G1017-G1033 WeakPolarHBondContact O-CA 3.49Å; V1020-G1033 PolarHBondContact O-N 2.98Å; V1031-G1033 PolarHBondContact O-N 3.16Å |
| 1034 | V | 84.5 | Confident | 90.1 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | trans | -89.8 | 132.2 | -179.2 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | V1020 V1031 P1032 D1567 | V1020-V1034 VanDerWaalsContact CG2-O 3.28Å; V1020-V1034 WeakPolarHBondContact CG2-O 3.14Å; V1031-V1034 HydrophobicContact CB-CB 4.37Å; V1031-V1034 HydrophobicContact CB-CG2 3.82Å; V1031-V1034 HydrophobicContact CG1-CG2 3.85Å; V1031-V1034 PolarHBondContact O-N 2.84Å; P1032-V1034 VanDerWaalsContact C-N 3.3Å; P1032-V1034 PolarHBondContact O-N 2.97Å; V1034-D1567 HydrophobicContact CG1-CB 4.44Å; V1034-D1567 HydrophobicContact CG2-CB 3.9Å | ||
| 1035 | G | 84.5 | Confident | 90.1 | Very high | 40 Ų | 40 | 22.9 Ų | 22.9 | 41% | 0.412 | 15% | 0.145 | S | C | . | . | trans | -66 | 136.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G1017 | G1017-G1035 VanDerWaalsContact CA-CA 3.49Š| ||
| 1036 | L | 87.2 | Confident | 90.1 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 109 | 178.3 | -59.9 | 175.8 | 0 | 0 | 0 | 109.4 | F986 L1015 V1020 R1028 | F986-L1036 HydrophobicContact CE1-CD1 4.18Å; F986-L1036 HydrophobicContact CE1-CD2 4.26Å; F986-L1036 HydrophobicContact CZ-CB 4Å; F986-L1036 HydrophobicContact CZ-CD1 4.19Å; F986-L1036 HydrophobicContact CZ-CD2 4.37Å; F986-L1036 HydrophobicContact CZ-CG 4.42Å; L1015-L1036 HydrophobicContact CB-CB 4.35Å; L1015-L1036 PolarHBondContact N-O 2.75Å; L1015-L1036 PolarHBondContact O-N 3Å; V1020-L1036 HydrophobicContact CG1-CD1 4.4Å; V1020-L1036 HydrophobicContact CG2-CD1 4.18Å; V1020-L1036 HydrophobicContact CG2-CG 4.14Å; R1028-L1036 HydrophobicContact CB-CD1 4.4Å; R1028-L1036 VanDerWaalsContact CD-CD1 3.41Å |
| 1037 | I | 86.4 | Confident | 90 | Very high | 75 Ų | 75 | 18.8 Ų | 18.8 | 39% | 0.385 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.2 | 168.2 | -57.5 | 172.3 | 0 | 0 | 0 | 105.9 | G1013 | G1013-I1037 WeakPolarHBondContact O-CA 3.35Å |
| 1038 | S | 90 | Very high | 89.8 | Confident | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | trans | -71.9 | 151.2 | 175.5 | -49.4 | 0 | 0 | 0 | 0 | 109.2 | S983 F986 G1012 G1013 | S983-S1038 WeakPolarHBondContact OG-CB 3.37Å; F986-S1038 WeakPolarHBondContact CE2-OG 3.46Å; G1012-S1038 WeakPolarHBondContact CA-O 3.22Å; G1013-S1038 PolarHBondContact O-N 3.29Å; G1013-S1038 PolarHBondContact O-OG 3.15Å | ||
| 1039 | P | 92.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -55.1 | 141.9 | 166.2 | -19 | 30.3 | 0 | 0 | 0 | 109.7 | S983 R1451 Y1469 | S983-P1039 WeakPolarHBondContact CB-O 3.24Å; S983-P1039 PolarHBondContact OG-O 3.33Å; P1039-R1451 HydrophobicContact CG-CG 4.33Å; P1039-Y1469 HydrophobicContact CB-CD2 4.44Å; P1039-Y1469 HydrophobicContact CB-CE2 4.03Å; P1039-Y1469 HydrophobicContact CG-CD1 4.19Å; P1039-Y1469 HydrophobicContact CG-CD2 3.71Å; P1039-Y1469 HydrophobicContact CG-CE1 4.21Å; P1039-Y1469 HydrophobicContact CG-CE2 3.79Å; P1039-Y1469 HydrophobicContact CG-CG 3.95Å | ||
| 1040 | P | 91.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 15.5 Ų | 15.5 | 12% | 0.117 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -59 | -48.7 | 170.4 | -24.4 | 35.9 | 0 | 0 | 0 | 112.8 | P546 I547 D548 | P546-P1040 HydrophobicContact CB-CB 3.99Å; P546-P1040 HydrophobicContact CG-CB 3.87Å; I547-P1040 WeakPolarHBondContact O-CG 3.49Å; D548-P1040 HydrophobicContact CB-CG 4.31Å |
| 1041 | P | 94 | Very high | 89.8 | Confident | 5 Ų | 5 | 14.8 Ų | 14.8 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -85.4 | 157.3 | 178.1 | 34.9 | -35.7 | 0 | 0 | 0 | 112.3 | P545 P546 S983 H1043 Y1046 | P545-P1041 HydrophobicContact CB-CB 3.77Å; P546-P1041 HydrophobicContact CG-CB 4.07Å; P546-P1041 WeakPolarHBondContact O-CB 3.4Å; P546-P1041 WeakPolarHBondContact O-CD 3.23Å; P546-P1041 VanDerWaalsContact O-CG 3.26Å; P546-P1041 WeakPolarHBondContact O-CG 3.44Å; S983-P1041 WeakPolarHBondContact CB-O 3.45Å; P1041-H1043 PolarHBondContact O-N 3.44Å; P1041-Y1046 HydrophobicContact CB-CE1 4.37Å |
| 1042 | H | 95.4 | Very high | 90.1 | Very high | 6 Ų | 6 | 15.2 Ų | 15.2 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | trans | -73.2 | 115.8 | 153.3 | -85.1 | -125.3 | 0 | 0 | 0 | 107.8 | V981 A982 S983 R985 K1002 D1044 I1045 | V981-H1042 PolarHBondContact O-CE1 2.94Å; V981-H1042 VanDerWaalsContact O-CE1 3.27Å; A982-H1042 WeakPolarHBondContact CA-NE2 2.99Å; S983-H1042 PolarHBondContact N-NE2 3.23Å; R985-H1042 PolarHBondContact NH1-CE1 3.44Å; R985-H1042 PolarHBondContact NH1-ND1 3.32Å; R985-H1042 PolarHBondContact NH2-ND1 3.16Å; R985-H1042 VanDerWaalsContact NH2-ND1 3.19Å; K1002-H1042 PolarHBondContact O-NE2 2.84Å; H1042-D1044 WeakPolarHBondContact CB-OD1 3.26Å; H1042-D1044 IonicContact CG-OD1 3.76Å; H1042-D1044 IonicContact ND1-OD1 3.46Å; H1042-D1044 PolarHBondContact O-N 3.12Å; H1042-D1044 VanDerWaalsContact O-N 3.08Å; H1042-I1045 HydrophobicContact CB-CB 3.82Å; H1042-I1045 HydrophobicContact CB-CD1 3.87Å; H1042-I1045 HydrophobicContact CB-CG1 3.88Å; H1042-I1045 CarbonylContact O-C 3.48Å; H1042-I1045 PolarHBondContact O-N 2.96Å; H1042-I1045 VanDerWaalsContact O-O 3.1Å | ||
| 1043 | H | 94.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.5 | -179.6 | -73 | -67 | 0 | 0 | 0 | 113.4 | E552 P1041 Y1046 V1428 Y1431 R1447 V1450 E1468 Y1469 | E552-H1043 IonicContact OE1-CE1 3.12Å; P1041-H1043 PolarHBondContact O-N 3.44Å; H1043-Y1046 AromaticContact ND1-CZ 3.85Å; H1043-Y1046 PolarHBondContact ND1-OH 3.5Å; H1043-V1428 HydrophobicContact CB-CG1 4.04Å; H1043-V1428 HydrophobicContact CB-CG2 4.32Å; H1043-V1428 WeakPolarHBondContact O-CG2 3.23Å; H1043-Y1431 HydrophobicContact CB-CE1 4.41Å; H1043-R1447 WeakPolarHBondContact ND1-CD 3.29Å; H1043-R1447 PolarHBondContact ND1-NE 3Å; H1043-V1450 HydrophobicContact CB-CG1 4.32Å; H1043-V1450 VanDerWaalsContact CD2-CG2 3.44Å; H1043-V1450 WeakPolarHBondContact CD2-CG2 3.43Å; H1043-E1468 IonicContact CE1-OE2 3.66Å; H1043-E1468 IonicContact NE2-OE2 3.82Å; H1043-Y1469 AromaticContact NE2-CE2 4Å |
| 1044 | D | 94.8 | Very high | 91 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 13.2 | 170.1 | 67 | -22.8 | 0 | 0 | 0 | 113.6 | R985 H1042 D1050 Y1394 K1397 Y1431 | R985-D1044 IonicContact CZ-OD1 2.75Å; R985-D1044 IonicContact CZ-OD2 3.27Å; R985-D1044 IonicContact NH2-OD1 3.37Å; R985-D1044 PolarHBondContact NH2-OD1 3.45Å; R985-D1044 IonicContact NH2-OD2 2.63Å; R985-D1044 PolarHBondContact NH2-OD2 3.39Å; H1042-D1044 WeakPolarHBondContact CB-OD1 3.26Å; H1042-D1044 IonicContact CG-OD1 3.76Å; H1042-D1044 IonicContact ND1-OD1 3.46Å; H1042-D1044 PolarHBondContact O-N 3.12Å; H1042-D1044 VanDerWaalsContact O-N 3.08Å; D1044-D1050 WeakPolarHBondContact O-CB 3.27Å; D1044-Y1394 HydrophobicContact CB-CD1 4.02Å; D1044-Y1394 HydrophobicContact CB-CE1 3.76Å; D1044-K1397 WeakPolarHBondContact OD2-CE 3.44Å; D1044-K1397 IonicContact OD2-NZ 3.13Å; D1044-K1397 PolarHBondContact OD2-NZ 3.08Å; D1044-Y1431 HydrophobicContact CB-CD1 3.94Å; D1044-Y1431 HydrophobicContact CB-CE1 4.09Å; D1044-Y1431 WeakPolarHBondContact OD1-CE1 3.28Å |
| 1045 | I | 93.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | trans | -139 | 93.8 | 173 | -53.8 | 171 | 0 | 0 | 0 | 109.2 | I1001 M1003 H1042 L1051 L1054 | I1001-I1045 HydrophobicContact CG2-CD1 3.98Å; M1003-I1045 HydrophobicContact CE-CB 4.37Å; M1003-I1045 HydrophobicContact CE-CD1 4.18Å; M1003-I1045 HydrophobicContact CE-CG2 3.84Å; M1003-I1045 HydrophobicContact SD-CD1 3.61Å; H1042-I1045 HydrophobicContact CB-CB 3.82Å; H1042-I1045 HydrophobicContact CB-CD1 3.87Å; H1042-I1045 HydrophobicContact CB-CG1 3.88Å; H1042-I1045 CarbonylContact O-C 3.48Å; H1042-I1045 PolarHBondContact O-N 2.96Å; H1042-I1045 VanDerWaalsContact O-O 3.1Å; I1045-L1051 HydrophobicContact CD1-CD1 3.67Å; I1045-L1051 HydrophobicContact CG2-CB 3.9Å; I1045-L1054 HydrophobicContact CD1-CB 4.47Å; I1045-L1054 HydrophobicContact CD1-CD2 3.62Å; I1045-L1054 HydrophobicContact CG1-CB 4.46Å; I1045-L1054 HydrophobicContact CG1-CD2 4.24Å | ||
| 1046 | Y | 91.3 | Very high | 92 | Very high | 15 Ų | 15 | 9.5 Ų | 9.5 | 6% | 0.059 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -109.2 | 1.6 | 172 | -65.2 | -25.1 | 0 | 0 | 0 | 112.9 | L379 P545 P1041 H1043 D1050 R1447 | L379-Y1046 HydrophobicContact CB-CD2 4.31Å; L379-Y1046 HydrophobicContact CD2-CD2 4.28Å; L379-Y1046 HydrophobicContact CD2-CE1 4.22Å; L379-Y1046 HydrophobicContact CD2-CE2 3.95Å; L379-Y1046 WeakPolarHBondContact O-CB 3.17Å; L379-Y1046 WeakPolarHBondContact O-CD2 3.25Å; P545-Y1046 HydrophobicContact CB-CD1 3.54Å; P545-Y1046 HydrophobicContact CB-CE1 4.05Å; P545-Y1046 HydrophobicContact CB-CG 4.48Å; P545-Y1046 HydrophobicContact CG-CD1 3.5Å; P545-Y1046 VanDerWaalsContact CG-CD1 3.5Å; P545-Y1046 HydrophobicContact CG-CE1 4.12Å; P545-Y1046 HydrophobicContact CG-CG 4.04Å; P1041-Y1046 HydrophobicContact CB-CE1 4.37Å; H1043-Y1046 AromaticContact ND1-CZ 3.85Å; H1043-Y1046 PolarHBondContact ND1-OH 3.5Å; Y1046-D1050 WeakPolarHBondContact CA-OD2 3.5Å; Y1046-D1050 WeakPolarHBondContact CB-OD2 3.45Å; Y1046-D1050 PolarHBondContact N-OD2 3.37Å; Y1046-R1447 WeakPolarHBondContact OH-CD 3.36Å; Y1046-R1447 PolarHBondContact OH-NE 2.82Å; Y1046-R1447 VanDerWaalsContact OH-NE 3.09Å |
| 1047 | S | 88.8 | Confident | 92.4 | Very high | 1 Ų | 1 | 9.2 Ų | 9.2 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -167.1 | 173.3 | -176.9 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | R380 V542 E1049 D1050 L1051 | R380-S1047 VanDerWaalsContact CZ-OG 3.29Å; R380-S1047 PolarHBondContact NH1-OG 3.1Å; R380-S1047 PolarHBondContact NH2-OG 2.95Å; V542-S1047 CarbonylContact O-C 3.43Å; V542-S1047 VanDerWaalsContact O-CA 3.27Å; V542-S1047 WeakPolarHBondContact O-CA 3.34Å; S1047-E1049 VanDerWaalsContact CB-OE2 3.24Å; S1047-E1049 WeakPolarHBondContact CB-OE2 3.43Å; S1047-E1049 PolarHBondContact O-N 3.16Å; S1047-E1049 PolarHBondContact OG-OE1 3.17Å; S1047-E1049 PolarHBondContact OG-OE2 2.97Å; S1047-E1049 VanDerWaalsContact OG-OE2 3.11Å; S1047-D1050 PolarHBondContact N-OD2 3.04Å; S1047-D1050 PolarHBondContact O-N 3.02Å; S1047-D1050 PolarHBondContact OG-OD1 3.1Å; S1047-D1050 PolarHBondContact OG-OD2 3.15Å; S1047-L1051 PolarHBondContact O-N 3.4Å; S1047-L1051 VanDerWaalsContact O-N 3.13Å |
| 1048 | I | 88.8 | Confident | 92.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.7 | -35 | 179.3 | -173.6 | 63.1 | 0 | 0 | 0 | 112.9 | A23 F234 V542 D1050 L1051 A1052 G1083 V1084 A1087 | A23-I1048 HydrophobicContact CB-CG2 4.21Å; F234-I1048 HydrophobicContact CB-CG2 4.19Å; F234-I1048 HydrophobicContact CD1-CG1 4.28Å; F234-I1048 HydrophobicContact CD1-CG2 3.82Å; F234-I1048 HydrophobicContact CD2-CG2 4.3Å; F234-I1048 HydrophobicContact CE1-CG1 3.82Å; F234-I1048 HydrophobicContact CE1-CG2 4.21Å; F234-I1048 HydrophobicContact CG-CG2 3.87Å; F234-I1048 HydrophobicContact CZ-CG1 3.96Å; V542-I1048 HydrophobicContact CG1-CB 4.16Å; V542-I1048 HydrophobicContact CG1-CD1 3.33Å; V542-I1048 HydrophobicContact CG1-CG1 4.33Å; I1048-D1050 VanDerWaalsContact C-N 3.31Å; I1048-D1050 PolarHBondContact O-N 3.22Å; I1048-L1051 HydrophobicContact CD1-CD2 4.04Å; I1048-L1051 WeakPolarHBondContact O-CB 3.35Å; I1048-L1051 PolarHBondContact O-N 2.96Å; I1048-A1052 PolarHBondContact O-N 3.32Å; I1048-G1083 VanDerWaalsContact CD1-C 3.49Å; I1048-V1084 HydrophobicContact CD1-CG2 4.49Å; I1048-A1087 HydrophobicContact CD1-CB 4.3Å |
| 1049 | E | 86.9 | Confident | 93 | Very high | 9 Ų | 9 | 8.6 Ų | 8.6 | 4% | 0.042 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -68.8 | -31.7 | 176.6 | 65.1 | -87.4 | -152.5 | 0 | 0 | 112.1 | A23 C24 R54 F234 N254 R380 S1047 A1052 Q1053 | A23-E1049 WeakPolarHBondContact CB-OE2 3.37Å; C24-E1049 PolarHBondContact N-OE1 2.84Å; R54-E1049 IonicContact NH2-OE1 2.81Å; F234-E1049 HydrophobicContact CD2-CB 4.19Å; N254-E1049 PolarHBondContact OD1-OE1 3.27Å; R380-E1049 IonicContact CZ-OE1 2.8Å; R380-E1049 IonicContact NE-OE1 3.14Å; R380-E1049 VanDerWaalsContact NH2-CD 3.34Å; R380-E1049 IonicContact NH2-OE1 3.97Å; R380-E1049 PolarHBondContact NH2-OE1 3.31Å; S1047-E1049 VanDerWaalsContact CB-OE2 3.24Å; S1047-E1049 WeakPolarHBondContact CB-OE2 3.43Å; S1047-E1049 PolarHBondContact O-N 3.16Å; S1047-E1049 PolarHBondContact OG-OE1 3.17Å; S1047-E1049 PolarHBondContact OG-OE2 2.97Å; S1047-E1049 VanDerWaalsContact OG-OE2 3.11Å; E1049-A1052 WeakPolarHBondContact O-CB 3.3Å; E1049-A1052 PolarHBondContact O-N 3.08Å; E1049-Q1053 PolarHBondContact O-N 3.26Å |
| 1050 | D | 91.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 8.7 Ų | 8.7 | 3% | 0.027 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | 174.9 | -55.2 | -24.6 | 0 | 0 | 0 | 110.2 | R380 D1044 Y1046 S1047 I1048 Q1053 L1054 | R380-D1050 IonicContact CZ-OD1 3.29Å; R380-D1050 IonicContact CZ-OD2 2.7Å; R380-D1050 IonicContact NH1-OD1 3.64Å; R380-D1050 IonicContact NH1-OD2 3.58Å; R380-D1050 PolarHBondContact NH1-OD2 2.94Å; R380-D1050 IonicContact NH2-OD1 2.9Å; R380-D1050 PolarHBondContact NH2-OD1 3.23Å; R380-D1050 IonicContact NH2-OD2 3.8Å; D1044-D1050 WeakPolarHBondContact O-CB 3.27Å; Y1046-D1050 WeakPolarHBondContact CA-OD2 3.5Å; Y1046-D1050 WeakPolarHBondContact CB-OD2 3.45Å; Y1046-D1050 PolarHBondContact N-OD2 3.37Å; S1047-D1050 PolarHBondContact N-OD2 3.04Å; S1047-D1050 PolarHBondContact O-N 3.02Å; S1047-D1050 PolarHBondContact OG-OD1 3.1Å; S1047-D1050 PolarHBondContact OG-OD2 3.15Å; I1048-D1050 VanDerWaalsContact C-N 3.31Å; I1048-D1050 PolarHBondContact O-N 3.22Å; D1050-Q1053 WeakPolarHBondContact O-CB 3.31Å; D1050-Q1053 PolarHBondContact O-N 3.28Å; D1050-L1054 PolarHBondContact O-N 3.34Å |
| 1051 | L | 93.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 168.9 | 177 | 65.8 | 0 | 0 | 0 | 111.2 | V542 I1001 M1003 I1045 S1047 I1048 Q1053 L1054 I1055 V1069 V1084 | V542-L1051 HydrophobicContact CB-CD2 4.43Å; V542-L1051 HydrophobicContact CG1-CB 4.21Å; V542-L1051 HydrophobicContact CG1-CD2 3.59Å; V542-L1051 HydrophobicContact CG2-CD2 3.91Å; I1001-L1051 HydrophobicContact CD1-CD1 3.72Å; I1001-L1051 HydrophobicContact CG2-CD1 4.12Å; M1003-L1051 HydrophobicContact SD-CD1 4.3Å; I1045-L1051 HydrophobicContact CD1-CD1 3.67Å; I1045-L1051 HydrophobicContact CG2-CB 3.9Å; S1047-L1051 PolarHBondContact O-N 3.4Å; S1047-L1051 VanDerWaalsContact O-N 3.13Å; I1048-L1051 HydrophobicContact CD1-CD2 4.04Å; I1048-L1051 WeakPolarHBondContact O-CB 3.35Å; I1048-L1051 PolarHBondContact O-N 2.96Å; L1051-Q1053 PolarHBondContact O-N 2.79Å; L1051-L1054 PolarHBondContact O-N 3.41Å; L1051-L1054 VanDerWaalsContact O-N 3.14Å; L1051-I1055 HydrophobicContact CD1-CD1 4.28Å; L1051-I1055 HydrophobicContact CD1-CG1 4.33Å; L1051-I1055 HydrophobicContact CD2-CD1 4.4Å; L1051-I1055 HydrophobicContact CG-CD1 3.91Å; L1051-I1055 HydrophobicContact CG-CG1 4.41Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.44Å; L1051-I1055 PolarHBondContact O-N 3.32Å; L1051-V1069 HydrophobicContact CD1-CG2 4.37Å; L1051-V1069 HydrophobicContact CD2-CG1 4.39Å; L1051-V1069 HydrophobicContact CD2-CG2 4.43Å; L1051-V1084 HydrophobicContact CD2-CG2 3.69Å |
| 1052 | A | 91.7 | Very high | 93.2 | Very high | 18 Ų | 18 | 8 Ų | 8 | 15% | 0.149 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F234 I1048 E1049 I1055 Y1056 A1087 | F234-A1052 HydrophobicContact CE2-CB 4.2Å; I1048-A1052 PolarHBondContact O-N 3.32Å; E1049-A1052 WeakPolarHBondContact O-CB 3.3Å; E1049-A1052 PolarHBondContact O-N 3.08Å; A1052-I1055 PolarHBondContact O-N 3.02Å; A1052-Y1056 WeakPolarHBondContact O-CB 3.45Å; A1052-Y1056 PolarHBondContact O-N 3.49Å; A1052-A1087 HydrophobicContact CB-CB 3.74Å |
| 1053 | Q | 94.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 9.9 Ų | 9.9 | 4% | 0.037 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 173.4 | -171.4 | 56.8 | 45.8 | 0 | 0 | 112.1 | E1049 D1050 L1051 I1055 Y1056 D1057 T1339 Q1373 Y1394 | E1049-Q1053 PolarHBondContact O-N 3.26Å; D1050-Q1053 WeakPolarHBondContact O-CB 3.31Å; D1050-Q1053 PolarHBondContact O-N 3.28Å; L1051-Q1053 PolarHBondContact O-N 2.79Å; Q1053-I1055 PolarHBondContact O-N 2.84Å; Q1053-Y1056 WeakPolarHBondContact O-CB 3.35Å; Q1053-Y1056 PolarHBondContact O-N 3.04Å; Q1053-D1057 PolarHBondContact NE2-OD1 2.66Å; Q1053-D1057 PolarHBondContact O-N 3.32Å; Q1053-T1339 PolarHBondContact NE2-OG1 3.38Å; Q1053-Q1373 HydrophobicContact CG-CB 3.86Å; Q1053-Q1373 HydrophobicContact CG-CG 4.49Å; Q1053-Y1394 HydrophobicContact CG-CD2 4.41Å; Q1053-Y1394 HydrophobicContact CG-CE2 4.36Å |
| 1054 | L | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 175.5 | 178.5 | 60.7 | 0 | 0 | 0 | 112 | I1001 I1045 D1050 L1051 Y1056 D1057 L1058 K1397 | I1001-L1054 HydrophobicContact CD1-CB 4.48Å; I1001-L1054 HydrophobicContact CD1-CD2 3.86Å; I1001-L1054 HydrophobicContact CD1-CG 3.9Å; I1001-L1054 HydrophobicContact CG1-CD2 3.96Å; I1001-L1054 HydrophobicContact CG1-CG 4.35Å; I1001-L1054 HydrophobicContact CG2-CD2 3.98Å; I1045-L1054 HydrophobicContact CD1-CB 4.47Å; I1045-L1054 HydrophobicContact CD1-CD2 3.62Å; I1045-L1054 HydrophobicContact CG1-CB 4.46Å; I1045-L1054 HydrophobicContact CG1-CD2 4.24Å; D1050-L1054 PolarHBondContact O-N 3.34Å; L1051-L1054 PolarHBondContact O-N 3.41Å; L1051-L1054 VanDerWaalsContact O-N 3.14Å; L1054-Y1056 VanDerWaalsContact C-N 3.27Å; L1054-Y1056 PolarHBondContact O-N 3.43Å; L1054-D1057 PolarHBondContact O-N 3.15Å; L1054-L1058 HydrophobicContact CD1-CD1 4.22Å; L1054-L1058 HydrophobicContact CD1-CD2 4.22Å; L1054-L1058 HydrophobicContact CD1-CG 3.91Å; L1054-L1058 HydrophobicContact CG-CD1 4.15Å; L1054-L1058 HydrophobicContact CG-CG 4.25Å; L1054-L1058 VanDerWaalsContact O-CG 3.3Å; L1054-L1058 WeakPolarHBondContact O-CG 3.4Å; L1054-L1058 PolarHBondContact O-N 3.15Å; L1054-K1397 VanDerWaalsContact CD1-NZ 3.31Å |
| 1055 | I | 94.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.5 | -68 | 164.7 | 0 | 0 | 0 | 109.9 | I1001 L1051 A1052 Q1053 D1057 L1058 K1059 V1067 V1069 A1087 A1089 | I1001-I1055 HydrophobicContact CD1-CG1 3.7Å; L1051-I1055 HydrophobicContact CD1-CD1 4.28Å; L1051-I1055 HydrophobicContact CD1-CG1 4.33Å; L1051-I1055 HydrophobicContact CD2-CD1 4.4Å; L1051-I1055 HydrophobicContact CG-CD1 3.91Å; L1051-I1055 HydrophobicContact CG-CG1 4.41Å; L1051-I1055 WeakPolarHBondContact O-CG1 3.44Å; L1051-I1055 PolarHBondContact O-N 3.32Å; A1052-I1055 PolarHBondContact O-N 3.02Å; Q1053-I1055 PolarHBondContact O-N 2.84Å; I1055-D1057 VanDerWaalsContact C-N 3.34Å; I1055-D1057 PolarHBondContact O-N 3.27Å; I1055-L1058 PolarHBondContact O-N 2.84Å; I1055-K1059 HydrophobicContact CG2-CD 4.3Å; I1055-K1059 WeakPolarHBondContact O-CB 2.8Å; I1055-K1059 WeakPolarHBondContact O-CG 3.41Å; I1055-K1059 PolarHBondContact O-N 2.88Å; I1055-V1067 HydrophobicContact CB-CG1 4.4Å; I1055-V1067 HydrophobicContact CG1-CG1 3.97Å; I1055-V1067 HydrophobicContact CG2-CB 4.31Å; I1055-V1067 HydrophobicContact CG2-CG1 4.17Å; I1055-V1069 HydrophobicContact CD1-CG2 4.28Å; I1055-A1087 HydrophobicContact CD1-CB 3.78Å; I1055-A1087 WeakPolarHBondContact CD1-O 3.37Å; I1055-A1089 HydrophobicContact CD1-CB 3.93Å |
| 1056 | Y | 93.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 14.4 Ų | 14.4 | 10% | 0.098 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.7 | -39.9 | 176.2 | -174.5 | -94.6 | 0 | 0 | 0 | 112.2 | A1052 Q1053 L1054 A1060 D1297 R1298 R1338 T1339 | A1052-Y1056 WeakPolarHBondContact O-CB 3.45Å; A1052-Y1056 PolarHBondContact O-N 3.49Å; Q1053-Y1056 WeakPolarHBondContact O-CB 3.35Å; Q1053-Y1056 PolarHBondContact O-N 3.04Å; L1054-Y1056 VanDerWaalsContact C-N 3.27Å; L1054-Y1056 PolarHBondContact O-N 3.43Å; Y1056-A1060 PolarHBondContact O-N 2.94Å; Y1056-D1297 WeakPolarHBondContact CE2-OD2 3.48Å; Y1056-D1297 PolarHBondContact OH-O 3.1Å; Y1056-R1298 VanDerWaalsContact CD2-NH2 3.35Å; Y1056-R1298 VanDerWaalsContact CE2-CZ 3.42Å; Y1056-R1298 PolarHBondContact O-NH2 3.01Å; Y1056-R1298 VanDerWaalsContact OH-CZ 3.28Å; Y1056-R1298 PolarHBondContact OH-NE 3.36Å; Y1056-R1298 PolarHBondContact OH-NH1 3.02Å; Y1056-R1298 VanDerWaalsContact OH-NH1 3.11Å; Y1056-R1338 HydrophobicContact CD1-CB 4.25Å; Y1056-R1338 HydrophobicContact CE1-CB 3.64Å; Y1056-T1339 VanDerWaalsContact CD1-OG1 3.23Å; Y1056-T1339 WeakPolarHBondContact CD1-OG1 3.25Å; Y1056-T1339 WeakPolarHBondContact CE1-OG1 3.17Å |
| 1057 | D | 96.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 175.8 | -60.8 | -22.5 | 0 | 0 | 0 | 112 | Q1053 L1054 I1055 A1060 A1061 T1339 S1374 F1378 K1397 | Q1053-D1057 PolarHBondContact NE2-OD1 2.66Å; Q1053-D1057 PolarHBondContact O-N 3.32Å; L1054-D1057 PolarHBondContact O-N 3.15Å; I1055-D1057 VanDerWaalsContact C-N 3.34Å; I1055-D1057 PolarHBondContact O-N 3.27Å; D1057-A1060 WeakPolarHBondContact O-CB 3.48Å; D1057-A1060 PolarHBondContact O-N 3.22Å; D1057-A1061 WeakPolarHBondContact O-CB 3.44Å; D1057-A1061 PolarHBondContact O-N 3.37Å; D1057-T1339 HydrophobicContact CB-CG2 4.1Å; D1057-T1339 WeakPolarHBondContact OD1-CG2 3.44Å; D1057-T1339 PolarHBondContact OD1-OG1 3Å; D1057-S1374 VanDerWaalsContact CG-OG 3.23Å; D1057-S1374 WeakPolarHBondContact OD1-CB 3.34Å; D1057-S1374 PolarHBondContact OD1-OG 3.39Å; D1057-S1374 VanDerWaalsContact OD1-OG 3.06Å; D1057-S1374 PolarHBondContact OD2-OG 3.07Å; D1057-F1378 HydrophobicContact CB-CE2 4.44Å; D1057-K1397 IonicContact OD2-NZ 2.75Å; D1057-K1397 PolarHBondContact OD2-NZ 2.99Å |
| 1058 | L | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -69.4 | -36.8 | -179.8 | -67 | -178.2 | 0 | 0 | 0 | 111.9 | V981 L993 L999 I1001 L1054 I1055 A1060 A1061 N1062 V1067 | V981-L1058 HydrophobicContact CG2-CD1 4.23Å; V981-L1058 HydrophobicContact CG2-CD2 4.02Å; L993-L1058 HydrophobicContact CD1-CD2 4.31Å; L993-L1058 HydrophobicContact CD2-CD2 3.97Å; L999-L1058 HydrophobicContact CB-CD1 4.35Å; L999-L1058 HydrophobicContact CD1-CB 3.95Å; L999-L1058 HydrophobicContact CD1-CD2 4.31Å; I1001-L1058 HydrophobicContact CD1-CD1 3.85Å; I1001-L1058 HydrophobicContact CG1-CD1 3.53Å; L1054-L1058 HydrophobicContact CD1-CD1 4.22Å; L1054-L1058 HydrophobicContact CD1-CD2 4.22Å; L1054-L1058 HydrophobicContact CD1-CG 3.91Å; L1054-L1058 HydrophobicContact CG-CD1 4.15Å; L1054-L1058 HydrophobicContact CG-CG 4.25Å; L1054-L1058 VanDerWaalsContact O-CG 3.3Å; L1054-L1058 WeakPolarHBondContact O-CG 3.4Å; L1054-L1058 PolarHBondContact O-N 3.15Å; I1055-L1058 PolarHBondContact O-N 2.84Å; L1058-A1060 VanDerWaalsContact C-N 3.28Å; L1058-A1060 PolarHBondContact O-N 3.3Å; L1058-A1061 PolarHBondContact O-N 3.45Å; L1058-N1062 PolarHBondContact O-N 2.62Å; L1058-V1067 HydrophobicContact CB-CG2 4Å; L1058-V1067 HydrophobicContact CD1-CG1 4.28Å |
| 1059 | K | 93 | Very high | 93.1 | Very high | 63 Ų | 63 | 13.6 Ų | 13.6 | 27% | 0.274 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -66.4 | -29.4 | 170.7 | -71.9 | -173.9 | -179.1 | -171.5 | 0 | 112.4 | I1055 N1062 P1063 V1067 R1088 | I1055-K1059 HydrophobicContact CG2-CD 4.3Å; I1055-K1059 WeakPolarHBondContact O-CB 2.8Å; I1055-K1059 WeakPolarHBondContact O-CG 3.41Å; I1055-K1059 PolarHBondContact O-N 2.88Å; K1059-N1062 CarbonylContact O-C 3.58Å; K1059-N1062 VanDerWaalsContact O-C 3.32Å; K1059-P1063 WeakPolarHBondContact O-CA 3.2Å; K1059-P1063 WeakPolarHBondContact O-CG 3.4Å; K1059-P1063 VanDerWaalsContact O-N 3.16Å; K1059-V1067 HydrophobicContact CG-CG2 3.71Å; K1059-R1088 WeakPolarHBondContact CE-O 3.41Å; K1059-R1088 PolarHBondContact NZ-O 2.99Å |
| 1060 | A | 93.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.2 | -41.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y1056 D1057 L1058 N1062 T1339 T1342 T1343 | Y1056-A1060 PolarHBondContact O-N 2.94Å; D1057-A1060 WeakPolarHBondContact O-CB 3.48Å; D1057-A1060 PolarHBondContact O-N 3.22Å; L1058-A1060 VanDerWaalsContact C-N 3.28Å; L1058-A1060 PolarHBondContact O-N 3.3Å; A1060-N1062 PolarHBondContact O-N 3.49Å; A1060-T1339 HydrophobicContact CB-CG2 3.87Å; A1060-T1342 HydrophobicContact CB-CG2 3.89Å; A1060-T1343 WeakPolarHBondContact O-CA 3.4Å |
| 1061 | A | 94.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 4% | 0.041 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.6 | -21.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L993 D1057 L1058 T1342 Y1346 F1378 | L993-A1061 HydrophobicContact CB-CB 4.15Å; L993-A1061 HydrophobicContact CD1-CB 3.75Å; D1057-A1061 WeakPolarHBondContact O-CB 3.44Å; D1057-A1061 PolarHBondContact O-N 3.37Å; L1058-A1061 PolarHBondContact O-N 3.45Å; A1061-T1342 HydrophobicContact CB-CG2 3.76Å; A1061-Y1346 WeakPolarHBondContact O-CB 3.43Å; A1061-Y1346 WeakPolarHBondContact O-CD2 3.21Å; A1061-F1378 HydrophobicContact CB-CD2 4.09Å |
| 1062 | N | 93.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.027 | 7% | 0.073 | C | C | . | . | trans | -156.9 | 94.7 | 169.9 | -172.2 | -19.4 | 0 | 0 | 0 | 111 | L993 A994 A996 L999 L1058 K1059 A1060 F1064 S1065 Y1346 | L993-N1062 PolarHBondContact O-ND2 2.88Å; A994-N1062 PolarHBondContact O-ND2 3.06Å; A996-N1062 PolarHBondContact O-ND2 3.19Å; L999-N1062 HydrophobicContact CD1-CB 4.14Å; L1058-N1062 PolarHBondContact O-N 2.62Å; K1059-N1062 CarbonylContact O-C 3.58Å; K1059-N1062 VanDerWaalsContact O-C 3.32Å; A1060-N1062 PolarHBondContact O-N 3.49Å; N1062-F1064 PolarHBondContact O-N 3.37Å; N1062-F1064 VanDerWaalsContact O-N 3.12Å; N1062-F1064 PolarHBondContact OD1-N 3.31Å; N1062-S1065 PolarHBondContact O-N 3.39Å; N1062-S1065 VanDerWaalsContact O-N 3.13Å; N1062-S1065 PolarHBondContact OD1-N 3.22Å; N1062-Y1346 HydrophobicContact CB-CD2 4.19Å; N1062-Y1346 HydrophobicContact CB-CE2 4.26Å | ||
| 1063 | P | 88.9 | Confident | 94.3 | Very high | 45 Ų | 45 | 12.7 Ų | 12.7 | 29% | 0.292 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -15.8 | -176.5 | -28 | 39 | 0 | 0 | 0 | 115.7 | K1059 F1290 L1294 T1343 | K1059-P1063 WeakPolarHBondContact O-CA 3.2Å; K1059-P1063 WeakPolarHBondContact O-CG 3.4Å; K1059-P1063 VanDerWaalsContact O-N 3.16Å; P1063-F1290 HydrophobicContact CB-CE2 4.31Å; P1063-F1290 HydrophobicContact CG-CE2 3.97Å; P1063-F1290 HydrophobicContact CG-CZ 3.76Å; P1063-L1294 HydrophobicContact CB-CD2 4.18Å; P1063-L1294 HydrophobicContact CG-CD2 3.9Å; P1063-T1343 HydrophobicContact CG-CG2 4.01Å |
| 1064 | F | 86.5 | Confident | 94.3 | Very high | 47 Ų | 47 | 13 Ų | 13 | 21% | 0.206 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -6.8 | 179.4 | -54.6 | -71.6 | 0 | 0 | 0 | 113.3 | N1062 V1278 F1281 F1290 Y1346 | N1062-F1064 PolarHBondContact O-N 3.37Å; N1062-F1064 VanDerWaalsContact O-N 3.12Å; N1062-F1064 PolarHBondContact OD1-N 3.31Å; F1064-V1278 HydrophobicContact CD1-CG1 3.8Å; F1064-V1278 HydrophobicContact CE1-CG1 3.87Å; F1064-F1281 HydrophobicContact CE1-CD1 4.02Å; F1064-F1281 HydrophobicContact CE1-CE1 4.29Å; F1064-F1281 HydrophobicContact CE2-CD1 4.06Å; F1064-F1281 AromaticContact CE2-CE1 3.5Å; F1064-F1281 HydrophobicContact CE2-CE1 3.5Å; F1064-F1281 VanDerWaalsContact CE2-CE1 3.5Å; F1064-F1281 HydrophobicContact CE2-CZ 4.32Å; F1064-F1281 AromaticContact CZ-CD1 3.41Å; F1064-F1281 HydrophobicContact CZ-CD1 3.41Å; F1064-F1281 VanDerWaalsContact CZ-CD1 3.41Å; F1064-F1281 AromaticContact CZ-CE1 3.27Å; F1064-F1281 HydrophobicContact CZ-CE1 3.27Å; F1064-F1281 HydrophobicContact CZ-CG 4.35Å; F1064-F1281 HydrophobicContact CZ-CZ 4.14Å; F1064-F1290 AromaticContact CE2-CD2 3.96Å; F1064-F1290 HydrophobicContact CE2-CD2 3.96Å; F1064-F1290 AromaticContact CE2-CE2 3.68Å; F1064-F1290 HydrophobicContact CE2-CE2 3.68Å; F1064-F1290 AromaticContact CZ-CD2 3.87Å; F1064-F1290 HydrophobicContact CZ-CD2 3.87Å; F1064-F1290 AromaticContact CZ-CE2 3.9Å; F1064-F1290 HydrophobicContact CZ-CE2 3.9Å; F1064-Y1346 HydrophobicContact CD2-CE1 4.27Å; F1064-Y1346 AromaticContact CD2-CZ 3.91Å; F1064-Y1346 VanDerWaalsContact CD2-OH 3.25Å; F1064-Y1346 WeakPolarHBondContact CD2-OH 3.48Å; F1064-Y1346 HydrophobicContact CE2-CE1 4.01Å |
| 1065 | S | 90.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 13.6 Ų | 13.6 | 8% | 0.077 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -84.9 | 141.1 | -177.5 | -170.3 | 0 | 0 | 0 | 0 | 112.2 | E997 M998 L999 N1062 | E997-S1065 VanDerWaalsContact C-OG 3.28Å; E997-S1065 VanDerWaalsContact O-CA 3.32Å; E997-S1065 WeakPolarHBondContact O-CA 3.44Å; E997-S1065 PolarHBondContact O-OG 2.89Å; M998-S1065 WeakPolarHBondContact CA-OG 3.06Å; M998-S1065 PolarHBondContact N-OG 2.9Å; L999-S1065 PolarHBondContact N-OG 2.92Å; N1062-S1065 PolarHBondContact O-N 3.39Å; N1062-S1065 VanDerWaalsContact O-N 3.13Å; N1062-S1065 PolarHBondContact OD1-N 3.22Å |
| 1066 | V | 91.6 | Very high | 93.7 | Very high | 40 Ų | 40 | 13.6 Ų | 13.6 | 24% | 0.242 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.7 | 167.5 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | E997 M998 L999 H1091 L1272 | E997-V1066 PolarHBondContact O-N 2.7Å; E997-V1066 VanDerWaalsContact O-N 3.15Å; M998-V1066 CarbonylContact C-O 2.76Å; M998-V1066 VanDerWaalsContact CA-O 3.27Å; M998-V1066 WeakPolarHBondContact CA-O 3.35Å; M998-V1066 HydrophobicContact CB-CB 4.44Å; M998-V1066 HydrophobicContact CE-CB 4.07Å; M998-V1066 HydrophobicContact CE-CG1 3.82Å; M998-V1066 HydrophobicContact CG-CB 4.3Å; M998-V1066 VanDerWaalsContact CG-O 3.29Å; M998-V1066 WeakPolarHBondContact CG-O 3.49Å; L999-V1066 PolarHBondContact N-O 2.73Å; V1066-H1091 HydrophobicContact CG1-CB 3.77Å; V1066-L1272 HydrophobicContact CG2-CD2 4.29Å |
| 1067 | V | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.7 | 171.3 | -176.1 | 0 | 0 | 0 | 0 | 109.5 | L999 I1001 I1055 L1058 K1059 S1090 H1091 | L999-V1067 CarbonylContact O-C 3.58Å; L999-V1067 WeakPolarHBondContact O-CA 3.44Å; I1001-V1067 HydrophobicContact CD1-CG1 3.96Å; I1001-V1067 HydrophobicContact CG1-CG1 4.35Å; I1055-V1067 HydrophobicContact CB-CG1 4.4Å; I1055-V1067 HydrophobicContact CG1-CG1 3.97Å; I1055-V1067 HydrophobicContact CG2-CB 4.31Å; I1055-V1067 HydrophobicContact CG2-CG1 4.17Å; L1058-V1067 HydrophobicContact CB-CG2 4Å; L1058-V1067 HydrophobicContact CD1-CG1 4.28Å; K1059-V1067 HydrophobicContact CG-CG2 3.71Å; V1067-S1090 PolarHBondContact O-N 3.35Å; V1067-H1091 PolarHBondContact O-N 3.48Å |
| 1068 | S | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143.4 | 175.6 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | L999 Q1000 I1001 H1091 | L999-S1068 PolarHBondContact O-N 3.1Å; Q1000-S1068 CarbonylContact C-O 3.48Å; Q1000-S1068 WeakPolarHBondContact CA-O 3.39Å; I1001-S1068 PolarHBondContact N-O 2.59Å; S1068-H1091 CarbonylContact C-O 3.58Å; S1068-H1091 WeakPolarHBondContact CA-O 3.46Å; S1068-H1091 WeakPolarHBondContact CB-ND1 3.15Å; S1068-H1091 PolarHBondContact OG-ND1 3.43Å |
| 1069 | V | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.3 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | I1001 M1003 L1051 I1055 L1071 V1084 A1089 H1091 I1092 T1093 | I1001-V1069 HydrophobicContact CB-CG2 4.45Å; I1001-V1069 HydrophobicContact CD1-CG2 4.29Å; M1003-V1069 HydrophobicContact CG-CG1 3.75Å; L1051-V1069 HydrophobicContact CD1-CG2 4.37Å; L1051-V1069 HydrophobicContact CD2-CG1 4.39Å; L1051-V1069 HydrophobicContact CD2-CG2 4.43Å; I1055-V1069 HydrophobicContact CD1-CG2 4.28Å; V1069-L1071 HydrophobicContact CG1-CD2 3.88Å; V1069-L1071 HydrophobicContact CG1-CG 4.25Å; V1069-V1084 HydrophobicContact CB-CG1 3.76Å; V1069-V1084 HydrophobicContact CG1-CG1 4.25Å; V1069-V1084 HydrophobicContact CG1-CG2 4.29Å; V1069-V1084 HydrophobicContact CG2-CG1 3.65Å; V1069-A1089 HydrophobicContact CG2-CB 3.95Å; V1069-H1091 PolarHBondContact N-O 3.27Å; V1069-I1092 CarbonylContact O-C 3.6Å; V1069-I1092 WeakPolarHBondContact O-CA 3.33Å; V1069-T1093 PolarHBondContact O-N 2.94Å |
| 1070 | K | 97.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 9.6 Ų | 9.6 | 6% | 0.057 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 111.4 | 177.9 | 177.1 | 171.7 | 168.9 | 133.3 | 0 | 110.1 | Q1000 I1001 M1003 A1004 T1093 S1095 D1141 | Q1000-K1070 HydrophobicContact CG-CB 4.03Å; I1001-K1070 PolarHBondContact O-N 3.44Å; M1003-K1070 WeakPolarHBondContact CB-O 3.48Å; M1003-K1070 PolarHBondContact N-O 3.23Å; M1003-K1070 VanDerWaalsContact N-O 3.14Å; A1004-K1070 PolarHBondContact N-O 3.2Å; K1070-T1093 WeakPolarHBondContact CA-O 3.44Å; K1070-T1093 HydrophobicContact CG-CG2 4.3Å; K1070-S1095 WeakPolarHBondContact CE-OG 3.23Å; K1070-S1095 PolarHBondContact NZ-OG 2.83Å; K1070-D1141 IonicContact NZ-OD1 3.24Å; K1070-D1141 IonicContact NZ-OD2 2.77Å; K1070-D1141 PolarHBondContact NZ-OD2 2.63Å |
| 1071 | L | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 165.7 | 177.1 | -56.6 | 177.8 | 0 | 0 | 0 | 110.1 | V542 M1003 V1069 V1077 V1080 A1081 V1084 I1092 T1093 I1094 S1095 | V542-L1071 HydrophobicContact CG2-CD2 3.79Å; M1003-L1071 HydrophobicContact CB-CD2 4.14Å; M1003-L1071 HydrophobicContact CG-CD2 4.01Å; V1069-L1071 HydrophobicContact CG1-CD2 3.88Å; V1069-L1071 HydrophobicContact CG1-CG 4.25Å; L1071-V1077 HydrophobicContact CB-CG2 4.15Å; L1071-V1077 HydrophobicContact CD1-CG2 4.17Å; L1071-V1080 HydrophobicContact CD1-CG1 3.99Å; L1071-V1080 HydrophobicContact CD2-CG1 4.12Å; L1071-A1081 HydrophobicContact CD1-CB 4.31Å; L1071-V1084 HydrophobicContact CD1-CG2 4.38Å; L1071-I1092 HydrophobicContact CD1-CG2 4.04Å; L1071-I1092 HydrophobicContact CG-CG2 4.44Å; L1071-T1093 PolarHBondContact N-O 2.94Å; L1071-I1094 HydrophobicContact CB-CD1 4.07Å; L1071-I1094 HydrophobicContact CD1-CD1 4.26Å; L1071-S1095 WeakPolarHBondContact O-CB 3.24Å; L1071-S1095 PolarHBondContact O-N 3.03Å |
| 1072 | V | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142.7 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 108.9 | F539 Q541 A1004 P1009 E1074 S1095 | F539-V1072 HydrophobicContact CE1-CG1 4.18Å; F539-V1072 HydrophobicContact CE2-CB 3.89Å; F539-V1072 HydrophobicContact CE2-CG1 4.33Å; F539-V1072 HydrophobicContact CZ-CB 3.58Å; F539-V1072 HydrophobicContact CZ-CG1 3.53Å; Q541-V1072 PolarHBondContact NE2-O 2.77Å; Q541-V1072 PolarHBondContact OE1-O 3.48Å; A1004-V1072 HydrophobicContact CB-CB 4.2Å; A1004-V1072 HydrophobicContact CB-CG2 3.51Å; P1009-V1072 HydrophobicContact CB-CB 4.26Å; P1009-V1072 HydrophobicContact CB-CG1 4.14Å; P1009-V1072 HydrophobicContact CB-CG2 4.26Å; P1009-V1072 HydrophobicContact CG-CG1 4.37Å; V1072-E1074 PolarHBondContact O-N 3.44Å; V1072-S1095 WeakPolarHBondContact CA-O 3.34Å |
| 1073 | S | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | trans | -59.9 | 122.5 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 110.8 | S1095 L1114 P1115 G1119 | S1073-S1095 PolarHBondContact N-O 2.92Å; S1073-L1114 WeakPolarHBondContact CB-O 3.45Å; S1073-L1114 WeakPolarHBondContact O-CB 3.37Å; S1073-L1114 PolarHBondContact O-N 3.32Å; S1073-P1115 PolarHBondContact OG-O 3.12Å; S1073-G1119 WeakPolarHBondContact OG-CA 3.47Å; S1073-G1119 PolarHBondContact OG-N 3.29Å | ||
| 1074 | E | 94 | Very high | 92.2 | Very high | 14 Ų | 14 | 6.9 Ų | 6.9 | 7% | 0.065 | 4% | 0.036 | C | C | . | . | trans | -152.4 | 172.6 | 166 | 64.4 | -179.2 | 164.1 | 0 | 0 | 108.5 | L538 F539 Q541 V1072 V1077 L1114 | L538-E1074 HydrophobicContact CD2-CB 4.4Å; F539-E1074 HydrophobicContact CE1-CB 4.08Å; F539-E1074 HydrophobicContact CE1-CG 4.49Å; F539-E1074 HydrophobicContact CE2-CG 4.35Å; F539-E1074 HydrophobicContact CZ-CB 3.95Å; F539-E1074 HydrophobicContact CZ-CG 4Å; F539-E1074 PolarHBondContact N-OE2 2.96Å; F539-E1074 VanDerWaalsContact N-OE2 3.17Å; F539-E1074 VanDerWaalsContact O-OE2 3.09Å; Q541-E1074 VanDerWaalsContact CG-OE1 3.3Å; Q541-E1074 WeakPolarHBondContact CG-OE1 3.45Å; Q541-E1074 PolarHBondContact NE2-OE1 2.96Å; V1072-E1074 PolarHBondContact O-N 3.44Å; E1074-V1077 WeakPolarHBondContact O-CB 2.9Å; E1074-V1077 VanDerWaalsContact O-CG1 3.25Å; E1074-V1077 WeakPolarHBondContact O-CG1 3.32Å; E1074-V1077 PolarHBondContact O-N 3.09Å; E1074-L1114 VanDerWaalsContact CA-CD1 3.45Å; E1074-L1114 HydrophobicContact CB-CD1 4.43Å | ||
| 1075 | I | 91.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 4.9 Ų | 4.9 | 7% | 0.067 | 3% | 0.028 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 137.2 | 167.9 | -178 | 65 | 0 | 0 | 0 | 110.7 | E19 L538 E789 V806 V1077 | E19-I1075 HydrophobicContact CG-CG1 4.17Å; L538-I1075 HydrophobicContact CD1-CG2 4.44Å; L538-I1075 HydrophobicContact CD2-CG2 3.77Å; E789-I1075 VanDerWaalsContact OE2-CB 3.25Å; E789-I1075 WeakPolarHBondContact OE2-CB 3.05Å; E789-I1075 PolarHBondContact OE2-N 3.13Å; V806-I1075 HydrophobicContact CG1-CD1 4.22Å; V806-I1075 HydrophobicContact CG1-CG1 4.26Å; V806-I1075 HydrophobicContact CG2-CG1 4.39Å; I1075-V1077 VanDerWaalsContact C-N 3.28Å; I1075-V1077 PolarHBondContact O-N 2.88Å |
| 1076 | G | 88 | Confident | 92 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 2% | 0.021 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -3.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1078 I1079 V1080 E1122 | G1076-G1078 PolarHBondContact O-N 2.9Å; G1076-G1078 VanDerWaalsContact O-N 3.15Å; G1076-I1079 WeakPolarHBondContact O-CA 3.49Å; G1076-I1079 WeakPolarHBondContact O-CB 3.29Å; G1076-I1079 PolarHBondContact O-N 3.14Å; G1076-V1080 PolarHBondContact O-N 2.91Å; G1076-E1122 VanDerWaalsContact C-OE1 3.23Å; G1076-E1122 WeakPolarHBondContact CA-OE1 3.37Å; G1076-E1122 PolarHBondContact N-OE1 3.45Å |
| 1077 | V | 92.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -58.6 | -30.4 | 176.8 | 71.6 | 0 | 0 | 0 | 0 | 112 | L1071 E1074 I1075 I1079 V1080 A1081 I1094 E1122 | L1071-V1077 HydrophobicContact CB-CG2 4.15Å; L1071-V1077 HydrophobicContact CD1-CG2 4.17Å; E1074-V1077 WeakPolarHBondContact O-CB 2.9Å; E1074-V1077 VanDerWaalsContact O-CG1 3.25Å; E1074-V1077 WeakPolarHBondContact O-CG1 3.32Å; E1074-V1077 PolarHBondContact O-N 3.09Å; I1075-V1077 VanDerWaalsContact C-N 3.28Å; I1075-V1077 PolarHBondContact O-N 2.88Å; V1077-I1079 VanDerWaalsContact C-N 3.31Å; V1077-I1079 PolarHBondContact O-N 3.09Å; V1077-V1080 PolarHBondContact O-N 2.81Å; V1077-A1081 VanDerWaalsContact O-CB 3.24Å; V1077-A1081 WeakPolarHBondContact O-CB 3.33Å; V1077-A1081 PolarHBondContact O-N 3.5Å; V1077-I1094 HydrophobicContact CG2-CD1 3.98Å; V1077-E1122 PolarHBondContact N-OE1 2.97Å; V1077-E1122 VanDerWaalsContact N-OE1 3.13Å |
| 1078 | G | 89.9 | Confident | 91.4 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.3 | -31.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1076 A1082 E1122 S1126 | G1076-G1078 PolarHBondContact O-N 2.9Å; G1076-G1078 VanDerWaalsContact O-N 3.15Å; G1078-A1082 PolarHBondContact O-N 3.23Å; G1078-A1082 VanDerWaalsContact O-N 3.11Å; G1078-E1122 PolarHBondContact N-OE1 2.76Å; G1078-S1126 WeakPolarHBondContact O-CB 3.26Å |
| 1079 | I | 86 | Confident | 91.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -72.6 | -48.2 | 174.3 | -65.1 | 170.4 | 0 | 0 | 0 | 109.5 | F15 D16 E19 T236 G1076 V1077 A1081 A1082 G1083 | F15-I1079 HydrophobicContact CD2-CD1 3.99Å; F15-I1079 HydrophobicContact CD2-CG1 3.8Å; F15-I1079 HydrophobicContact CE2-CD1 3.61Å; F15-I1079 HydrophobicContact CE2-CG1 3.54Å; D16-I1079 WeakPolarHBondContact O-CD1 3.48Å; E19-I1079 HydrophobicContact CB-CD1 3.73Å; E19-I1079 WeakPolarHBondContact O-CD1 3.29Å; T236-I1079 VanDerWaalsContact CB-CG2 3.47Å; T236-I1079 WeakPolarHBondContact OG1-CG2 3.46Å; G1076-I1079 WeakPolarHBondContact O-CA 3.49Å; G1076-I1079 WeakPolarHBondContact O-CB 3.29Å; G1076-I1079 PolarHBondContact O-N 3.14Å; V1077-I1079 VanDerWaalsContact C-N 3.31Å; V1077-I1079 PolarHBondContact O-N 3.09Å; I1079-A1081 VanDerWaalsContact C-N 3.26Å; I1079-A1081 PolarHBondContact O-N 3.39Å; I1079-A1082 WeakPolarHBondContact O-CB 3.01Å; I1079-A1082 PolarHBondContact O-N 3.37Å; I1079-A1082 VanDerWaalsContact O-N 3.08Å; I1079-G1083 PolarHBondContact O-N 3.05Å |
| 1080 | V | 90.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.024 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -55.8 | -44.1 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | V542 T543 L1071 G1076 V1077 A1082 G1083 V1084 | V542-V1080 HydrophobicContact CB-CG1 3.75Å; V542-V1080 HydrophobicContact CG1-CG1 4.41Å; V542-V1080 HydrophobicContact CG2-CG1 3.71Å; T543-V1080 HydrophobicContact CG2-CG2 4.05Å; L1071-V1080 HydrophobicContact CD1-CG1 3.99Å; L1071-V1080 HydrophobicContact CD2-CG1 4.12Å; G1076-V1080 PolarHBondContact O-N 2.91Å; V1077-V1080 PolarHBondContact O-N 2.81Å; V1080-A1082 VanDerWaalsContact C-N 3.32Å; V1080-A1082 PolarHBondContact O-N 3.48Å; V1080-G1083 PolarHBondContact O-N 3.25Å; V1080-V1084 HydrophobicContact CG1-CG2 4.28Å; V1080-V1084 VanDerWaalsContact O-CG2 3.23Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.43Å; V1080-V1084 PolarHBondContact O-N 2.93Å |
| 1081 | A | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1071 V1077 I1079 V1084 A1085 I1092 T1123 | L1071-A1081 HydrophobicContact CD1-CB 4.31Å; V1077-A1081 VanDerWaalsContact O-CB 3.24Å; V1077-A1081 WeakPolarHBondContact O-CB 3.33Å; V1077-A1081 PolarHBondContact O-N 3.5Å; I1079-A1081 VanDerWaalsContact C-N 3.26Å; I1079-A1081 PolarHBondContact O-N 3.39Å; A1081-V1084 WeakPolarHBondContact O-CB 3.33Å; A1081-V1084 PolarHBondContact O-N 3Å; A1081-A1085 PolarHBondContact O-N 3Å; A1081-I1092 HydrophobicContact CB-CD1 3.98Å; A1081-I1092 WeakPolarHBondContact O-CD1 3.31Å; A1081-T1123 HydrophobicContact CB-CG2 3.55Å |
| 1082 | A | 87.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.4 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T236 G1078 I1079 V1080 V1084 A1085 K1086 L1127 Q1130 | T236-A1082 VanDerWaalsContact O-CB 3.32Å; T236-A1082 WeakPolarHBondContact O-CB 3.06Å; G1078-A1082 PolarHBondContact O-N 3.23Å; G1078-A1082 VanDerWaalsContact O-N 3.11Å; I1079-A1082 WeakPolarHBondContact O-CB 3.01Å; I1079-A1082 PolarHBondContact O-N 3.37Å; I1079-A1082 VanDerWaalsContact O-N 3.08Å; V1080-A1082 VanDerWaalsContact C-N 3.32Å; V1080-A1082 PolarHBondContact O-N 3.48Å; A1082-V1084 VanDerWaalsContact C-N 3.32Å; A1082-V1084 PolarHBondContact O-N 3.27Å; A1082-A1085 WeakPolarHBondContact O-CB 3.43Å; A1082-A1085 PolarHBondContact O-N 3.34Å; A1082-K1086 WeakPolarHBondContact O-CG 3.42Å; A1082-K1086 PolarHBondContact O-N 2.92Å; A1082-L1127 HydrophobicContact CB-CD2 4.18Å; A1082-Q1130 VanDerWaalsContact CB-OE1 3.23Å |
| 1083 | G | 87.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -56.4 | -44.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T236 I1048 I1079 V1080 A1085 K1086 A1087 | T236-G1083 PolarHBondContact O-N 2.9Å; T236-G1083 VanDerWaalsContact O-N 3.08Å; I1048-G1083 VanDerWaalsContact CD1-C 3.49Å; I1079-G1083 PolarHBondContact O-N 3.05Å; V1080-G1083 PolarHBondContact O-N 3.25Å; G1083-A1085 VanDerWaalsContact C-N 3.35Å; G1083-A1085 PolarHBondContact O-N 2.92Å; G1083-K1086 CarbonylContact O-C 3.51Å; G1083-K1086 WeakPolarHBondContact O-CB 3.1Å; G1083-K1086 PolarHBondContact O-N 3.42Å; G1083-K1086 VanDerWaalsContact O-N 3.16Å; G1083-A1087 WeakPolarHBondContact O-CB 3.33Å; G1083-A1087 PolarHBondContact O-N 2.92Å |
| 1084 | V | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.9 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | V542 I1048 L1051 V1069 L1071 V1080 A1081 A1082 A1087 A1089 I1092 | V542-V1084 HydrophobicContact CG2-CG2 4.27Å; I1048-V1084 HydrophobicContact CD1-CG2 4.49Å; L1051-V1084 HydrophobicContact CD2-CG2 3.69Å; V1069-V1084 HydrophobicContact CB-CG1 3.76Å; V1069-V1084 HydrophobicContact CG1-CG1 4.25Å; V1069-V1084 HydrophobicContact CG1-CG2 4.29Å; V1069-V1084 HydrophobicContact CG2-CG1 3.65Å; L1071-V1084 HydrophobicContact CD1-CG2 4.38Å; V1080-V1084 HydrophobicContact CG1-CG2 4.28Å; V1080-V1084 VanDerWaalsContact O-CG2 3.23Å; V1080-V1084 WeakPolarHBondContact O-CG2 3.43Å; V1080-V1084 PolarHBondContact O-N 2.93Å; A1081-V1084 WeakPolarHBondContact O-CB 3.33Å; A1081-V1084 PolarHBondContact O-N 3Å; A1082-V1084 VanDerWaalsContact C-N 3.32Å; A1082-V1084 PolarHBondContact O-N 3.27Å; V1084-A1087 WeakPolarHBondContact O-CB 3.19Å; V1084-A1087 PolarHBondContact O-N 2.83Å; V1084-A1089 HydrophobicContact CG1-CB 3.53Å; V1084-A1089 WeakPolarHBondContact O-CB 3.46Å; V1084-A1089 PolarHBondContact O-N 2.73Å; V1084-I1092 HydrophobicContact CB-CD1 4.1Å; V1084-I1092 HydrophobicContact CG1-CD1 3.74Å; V1084-I1092 HydrophobicContact CG1-CG1 3.81Å |
| 1085 | A | 88.3 | Confident | 90.7 | Very high | 4 Ų | 4 | 11 Ų | 11 | 3% | 0.033 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1081 A1082 G1083 A1087 R1088 L1127 A1132 V1136 | A1081-A1085 PolarHBondContact O-N 3Å; A1082-A1085 WeakPolarHBondContact O-CB 3.43Å; A1082-A1085 PolarHBondContact O-N 3.34Å; G1083-A1085 VanDerWaalsContact C-N 3.35Å; G1083-A1085 PolarHBondContact O-N 2.92Å; A1085-A1087 VanDerWaalsContact C-N 3.31Å; A1085-A1087 PolarHBondContact O-N 3.03Å; A1085-R1088 WeakPolarHBondContact O-CA 3.34Å; A1085-R1088 PolarHBondContact O-N 3.43Å; A1085-L1127 HydrophobicContact CB-CD2 3.96Å; A1085-A1132 HydrophobicContact CB-CB 4.44Å; A1085-V1136 HydrophobicContact CB-CG1 3.73Å |
| 1086 | K | 83.9 | Confident | 91 | Very high | 20 Ų | 20 | 10.4 Ų | 10.4 | 9% | 0.087 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.7 | -33.2 | 174.3 | -68.4 | 170.5 | 70.4 | -177.3 | 0 | 112.4 | A56 C57 D65 F234 S235 N237 T238 A1082 G1083 R1088 | A56-K1086 HydrophobicContact CB-CB 4.32Å; C57-K1086 WeakPolarHBondContact O-CE 3.32Å; D65-K1086 IonicContact OD1-NZ 3.53Å; D65-K1086 PolarHBondContact OD1-NZ 3Å; D65-K1086 IonicContact OD2-NZ 3.62Å; D65-K1086 PolarHBondContact OD2-NZ 2.82Å; F234-K1086 HydrophobicContact CE1-CB 3.93Å; F234-K1086 HydrophobicContact CZ-CB 4.17Å; S235-K1086 PolarHBondContact O-NZ 3.02Å; S235-K1086 PolarHBondContact OG-NZ 3.45Å; N237-K1086 PolarHBondContact O-NZ 3.29Å; T238-K1086 HydrophobicContact CG2-CD 4.11Å; A1082-K1086 WeakPolarHBondContact O-CG 3.42Å; A1082-K1086 PolarHBondContact O-N 2.92Å; G1083-K1086 CarbonylContact O-C 3.51Å; G1083-K1086 WeakPolarHBondContact O-CB 3.1Å; G1083-K1086 PolarHBondContact O-N 3.42Å; G1083-K1086 VanDerWaalsContact O-N 3.16Å; K1086-R1088 PolarHBondContact O-N 3.38Å |
| 1087 | A | 86.8 | Confident | 91.4 | Very high | 6 Ų | 6 | 11 Ų | 11 | 5% | 0.05 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F234 I1048 A1052 I1055 G1083 V1084 A1085 A1089 | F234-A1087 HydrophobicContact CZ-CB 4.34Å; I1048-A1087 HydrophobicContact CD1-CB 4.3Å; A1052-A1087 HydrophobicContact CB-CB 3.74Å; I1055-A1087 HydrophobicContact CD1-CB 3.78Å; I1055-A1087 WeakPolarHBondContact CD1-O 3.37Å; G1083-A1087 WeakPolarHBondContact O-CB 3.33Å; G1083-A1087 PolarHBondContact O-N 2.92Å; V1084-A1087 WeakPolarHBondContact O-CB 3.19Å; V1084-A1087 PolarHBondContact O-N 2.83Å; A1085-A1087 VanDerWaalsContact C-N 3.31Å; A1085-A1087 PolarHBondContact O-N 3.03Å; A1087-A1089 VanDerWaalsContact C-N 3.34Å; A1087-A1089 PolarHBondContact O-N 3.16Å |
| 1088 | R | 87.1 | Confident | 91.4 | Very high | 160 Ų | 160 | 11.1 Ų | 11.1 | 60% | 0.604 | 5% | 0.049 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 23.7 | 177.1 | -53.1 | -177 | 171.1 | -167.8 | -5.4 | 114.4 | K1059 A1085 K1086 | K1059-R1088 WeakPolarHBondContact CE-O 3.41Å; K1059-R1088 PolarHBondContact NZ-O 2.99Å; A1085-R1088 WeakPolarHBondContact O-CA 3.34Å; A1085-R1088 PolarHBondContact O-N 3.43Å; K1086-R1088 PolarHBondContact O-N 3.38Å |
| 1089 | A | 89.9 | Confident | 91.5 | Very high | 2 Ų | 2 | 11.6 Ų | 11.6 | 2% | 0.017 | 5% | 0.054 | C | C | . | . | trans | -62.7 | 147.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1055 V1069 V1084 A1087 V1136 | I1055-A1089 HydrophobicContact CD1-CB 3.93Å; V1069-A1089 HydrophobicContact CG2-CB 3.95Å; V1084-A1089 HydrophobicContact CG1-CB 3.53Å; V1084-A1089 WeakPolarHBondContact O-CB 3.46Å; V1084-A1089 PolarHBondContact O-N 2.73Å; A1087-A1089 VanDerWaalsContact C-N 3.34Å; A1087-A1089 PolarHBondContact O-N 3.16Å; A1089-V1136 WeakPolarHBondContact O-CG1 3.43Å | ||
| 1090 | S | 88.2 | Confident | 91.7 | Very high | 20 Ų | 20 | 13.1 Ų | 13.1 | 14% | 0.14 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -113.6 | -5.4 | -179.5 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | V1067 V1136 K1137 | V1067-S1090 PolarHBondContact O-N 3.35Å; S1090-V1136 WeakPolarHBondContact O-CA 3.32Å; S1090-K1137 PolarHBondContact O-N 2.97Å |
| 1091 | H | 94.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.5 | 178.9 | -175.5 | -86.8 | 0 | 0 | 0 | 109.6 | M998 V1066 V1067 S1068 V1069 T1093 K1137 Q1139 E1160 | M998-H1091 HydrophobicContact CE-CB 4.15Å; V1066-H1091 HydrophobicContact CG1-CB 3.77Å; V1067-H1091 PolarHBondContact O-N 3.48Å; S1068-H1091 CarbonylContact C-O 3.58Å; S1068-H1091 WeakPolarHBondContact CA-O 3.46Å; S1068-H1091 WeakPolarHBondContact CB-ND1 3.15Å; S1068-H1091 PolarHBondContact OG-ND1 3.43Å; V1069-H1091 PolarHBondContact N-O 3.27Å; H1091-T1093 PolarHBondContact CE1-OG1 2.96Å; H1091-K1137 CarbonylContact C-O 3.39Å; H1091-K1137 WeakPolarHBondContact CA-O 3.45Å; H1091-Q1139 WeakPolarHBondContact CE1-CB 3.48Å; H1091-Q1139 WeakPolarHBondContact NE2-CB 3.39Å; H1091-E1160 IonicContact NE2-OE2 3.68Å; H1091-E1160 PolarHBondContact NE2-OE2 3.34Å |
| 1092 | I | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 127.1 | 177.7 | -59.1 | 177 | 0 | 0 | 0 | 107.8 | V1069 L1071 A1081 V1084 I1094 V1136 K1137 L1138 Q1139 | V1069-I1092 CarbonylContact O-C 3.6Å; V1069-I1092 WeakPolarHBondContact O-CA 3.33Å; L1071-I1092 HydrophobicContact CD1-CG2 4.04Å; L1071-I1092 HydrophobicContact CG-CG2 4.44Å; A1081-I1092 HydrophobicContact CB-CD1 3.98Å; A1081-I1092 WeakPolarHBondContact O-CD1 3.31Å; V1084-I1092 HydrophobicContact CB-CD1 4.1Å; V1084-I1092 HydrophobicContact CG1-CD1 3.74Å; V1084-I1092 HydrophobicContact CG1-CG1 3.81Å; I1092-I1094 HydrophobicContact CG2-CD1 3.78Å; I1092-I1094 HydrophobicContact CG2-CG1 4.49Å; I1092-V1136 HydrophobicContact CD1-CB 4.41Å; I1092-V1136 HydrophobicContact CD1-CG1 4.21Å; I1092-V1136 HydrophobicContact CD1-CG2 4.3Å; I1092-V1136 HydrophobicContact CG1-CG1 4.44Å; I1092-K1137 PolarHBondContact N-O 3.36Å; I1092-L1138 HydrophobicContact CB-CD2 3.9Å; I1092-L1138 HydrophobicContact CG2-CD2 4.48Å; I1092-L1138 CarbonylContact O-C 3.57Å; I1092-L1138 WeakPolarHBondContact O-CA 3.3Å; I1092-Q1139 PolarHBondContact O-N 3.38Å |
| 1093 | T | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.7 | 172.5 | -55.2 | 0 | 0 | 0 | 0 | 108.9 | Q1000 V1069 K1070 L1071 H1091 Q1139 | Q1000-T1093 PolarHBondContact NE2-OG1 3.48Å; V1069-T1093 PolarHBondContact O-N 2.94Å; K1070-T1093 WeakPolarHBondContact CA-O 3.44Å; K1070-T1093 HydrophobicContact CG-CG2 4.3Å; L1071-T1093 PolarHBondContact N-O 2.94Å; H1091-T1093 PolarHBondContact CE1-OG1 2.96Å; T1093-Q1139 CarbonylContact C-O 3.54Å; T1093-Q1139 VanDerWaalsContact CA-O 3.26Å; T1093-Q1139 WeakPolarHBondContact CA-O 3.46Å; T1093-Q1139 HydrophobicContact CG2-CB 4.37Å; T1093-Q1139 HydrophobicContact CG2-CG 4.22Å; T1093-Q1139 PolarHBondContact OG1-OE1 2.94Å |
| 1094 | I | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114.8 | 171.2 | -53.9 | -56.4 | 0 | 0 | 0 | 109 | L1071 V1077 I1092 I1120 T1123 Q1139 V1140 D1141 | L1071-I1094 HydrophobicContact CB-CD1 4.07Å; L1071-I1094 HydrophobicContact CD1-CD1 4.26Å; V1077-I1094 HydrophobicContact CG2-CD1 3.98Å; I1092-I1094 HydrophobicContact CG2-CD1 3.78Å; I1092-I1094 HydrophobicContact CG2-CG1 4.49Å; I1094-I1120 HydrophobicContact CB-CD1 4.26Å; I1094-I1120 HydrophobicContact CG1-CD1 4.05Å; I1094-T1123 HydrophobicContact CD1-CG2 4.3Å; I1094-T1123 HydrophobicContact CG1-CG2 4.37Å; I1094-Q1139 PolarHBondContact N-O 3.36Å; I1094-V1140 WeakPolarHBondContact O-CA 3.34Å; I1094-D1141 PolarHBondContact O-N 3.11Å; I1094-D1141 VanDerWaalsContact O-N 3.13Å |
| 1095 | S | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 134.1 | 177.8 | -76.5 | 0 | 0 | 0 | 0 | 112.4 | K1070 L1071 V1072 S1073 D1141 | K1070-S1095 WeakPolarHBondContact CE-OG 3.23Å; K1070-S1095 PolarHBondContact NZ-OG 2.83Å; L1071-S1095 WeakPolarHBondContact O-CB 3.24Å; L1071-S1095 PolarHBondContact O-N 3.03Å; V1072-S1095 WeakPolarHBondContact CA-O 3.34Å; S1073-S1095 PolarHBondContact N-O 2.92Å; S1095-D1141 WeakPolarHBondContact CA-OD1 3.13Å; S1095-D1141 WeakPolarHBondContact CB-OD1 3.22Å; S1095-D1141 PolarHBondContact OG-OD1 3.18Å; S1095-D1141 PolarHBondContact OG-OD2 3.38Å |
| 1096 | G | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -80.6 | 155.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1006 D1098 G1099 L1114 D1141 | G1006-G1096 WeakPolarHBondContact CA-O 3.34Å; G1096-D1098 PolarHBondContact O-N 2.68Å; G1096-D1098 VanDerWaalsContact O-N 3.1Å; G1096-G1099 PolarHBondContact O-N 3.35Å; G1096-L1114 CarbonylContact C-O 3.57Å; G1096-L1114 WeakPolarHBondContact CA-O 3.29Å; G1096-D1141 PolarHBondContact N-O 3.44Å | ||
| 1097 | H | 95.5 | Very high | 92.9 | Very high | 13 Ų | 13 | 14.3 Ų | 14.3 | 6% | 0.06 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.6 | 174 | 74.5 | -61.8 | 0 | 0 | 0 | 114 | G1099 G1113 L1114 P1115 | H1097-G1099 PolarHBondContact O-N 3.14Å; H1097-G1113 VanDerWaalsContact CB-C 3.48Å; H1097-L1114 PolarHBondContact N-O 3.03Å; H1097-L1114 PolarHBondContact ND1-O 3.07Å; H1097-P1115 WeakPolarHBondContact ND1-CA 3.35Å |
| 1098 | D | 94.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 14 Ų | 14 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 2.9 | -179.7 | 62.6 | -15 | 0 | 0 | 0 | 113.3 | N517 R901 G1096 G1142 Q1143 | N517-D1098 WeakPolarHBondContact O-CA 3.15Å; N517-D1098 WeakPolarHBondContact O-CB 3.42Å; R901-D1098 IonicContact NH1-OD2 3.72Å; R901-D1098 IonicContact NH2-OD2 3.8Å; R901-D1098 PolarHBondContact NH2-OD2 3.42Å; G1096-D1098 PolarHBondContact O-N 2.68Å; G1096-D1098 VanDerWaalsContact O-N 3.1Å; D1098-G1142 WeakPolarHBondContact OD1-CA 3.25Å; D1098-Q1143 HydrophobicContact CB-CB 4.49Å; D1098-Q1143 HydrophobicContact CB-CG 3.7Å; D1098-Q1143 WeakPolarHBondContact O-CG 3.32Å; D1098-Q1143 PolarHBondContact O-NE2 3.16Å; D1098-Q1143 VanDerWaalsContact OD2-CB 3.31Å; D1098-Q1143 WeakPolarHBondContact OD2-CB 3.36Å; D1098-Q1143 WeakPolarHBondContact OD2-CG 3.5Å |
| 1099 | G | 90.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 6.5 Ų | 6.5 | 10% | 0.103 | 5% | 0.049 | C | C | . | . | trans | -57.7 | 144.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G516 A1007 G1096 H1097 | G516-G1099 WeakPolarHBondContact CA-O 3.4Å; A1007-G1099 WeakPolarHBondContact CB-O 3.4Å; G1096-G1099 PolarHBondContact O-N 3.35Å; H1097-G1099 PolarHBondContact O-N 3.14Å | ||
| 1100 | G | 91 | Very high | 93.7 | Very high | 32 Ų | 32 | 7.5 Ų | 7.5 | 33% | 0.33 | 5% | 0.053 | S | C | . | . | trans | -80.6 | 156.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1101 | T | 94.2 | Very high | 94 | Very high | 16 Ų | 16 | 6.9 Ų | 6.9 | 10% | 0.098 | 5% | 0.048 | C | C | . | . | trans | -140 | 152.6 | 169.3 | -174.3 | 0 | 0 | 0 | 0 | 113 | M515 Q1005 A1007 A1103 I1109 | M515-T1101 PolarHBondContact N-O 3.43Å; Q1005-T1101 PolarHBondContact NE2-OG1 3.5Å; A1007-T1101 HydrophobicContact CB-CG2 3.64Å; T1101-A1103 PolarHBondContact OG1-N 3.47Å; T1101-A1103 PolarHBondContact OG1-O 3.43Å; T1101-I1109 HydrophobicContact CG2-CD1 4.09Å; T1101-I1109 HydrophobicContact CG2-CG1 4.16Å | ||
| 1102 | G | 92.1 | Very high | 94 | Very high | 13 Ų | 13 | 6.8 Ų | 6.8 | 13% | 0.134 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -75.8 | -31.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S514 S937 C1179 H1180 | S514-G1102 VanDerWaalsContact CB-O 3.29Å; S514-G1102 WeakPolarHBondContact CB-O 3.37Å; S937-G1102 WeakPolarHBondContact OG-CA 3.4Å; G1102-C1179 CarbonylContact O-C 3.5Å; G1102-C1179 WeakPolarHBondContact O-CB 3.25Å; G1102-H1180 WeakPolarHBondContact O-CA 3.49Å; G1102-H1180 PolarHBondContact O-N 3.25Å; G1102-H1180 VanDerWaalsContact O-N 3.17Å |
| 1103 | A | 92.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 6.9 Ų | 6.9 | 2% | 0.017 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -161.3 | 134.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G513 K1008 E1014 T1101 H1180 | G513-A1103 WeakPolarHBondContact O-CA 3.22Å; K1008-A1103 WeakPolarHBondContact CE-O 3.49Å; K1008-A1103 PolarHBondContact NZ-O 2.8Å; E1014-A1103 HydrophobicContact CB-CB 4.33Å; T1101-A1103 PolarHBondContact OG1-N 3.47Å; T1101-A1103 PolarHBondContact OG1-O 3.43Å; A1103-H1180 HydrophobicContact CB-CB 3.81Å |
| 1104 | S | 91.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.8 | 159.8 | 170.2 | 177.7 | 0 | 0 | 0 | 0 | 110 | L512 G513 K1008 | L512-S1104 CarbonylContact C-O 3.54Å; L512-S1104 WeakPolarHBondContact CA-O 3.47Å; G513-S1104 PolarHBondContact N-O 2.98Å; G513-S1104 PolarHBondContact O-N 3.29Å; K1008-S1104 WeakPolarHBondContact CB-OG 3.28Å |
| 1105 | S | 91.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 7.1 Ų | 7.1 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 144.8 | 165 | 34.8 | 0 | 0 | 0 | 0 | 112.1 | E510 K769 T1107 G1108 I1109 | E510-S1105 WeakPolarHBondContact OE2-CB 3.34Å; K769-S1105 PolarHBondContact NZ-OG 2.84Å; S1105-T1107 VanDerWaalsContact C-N 3.26Å; S1105-T1107 PolarHBondContact O-N 2.97Å; S1105-G1108 PolarHBondContact O-N 3.19Å; S1105-I1109 PolarHBondContact O-N 3.41Å |
| 1106 | W | 91.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 7.1 Ų | 7.1 | 5% | 0.049 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.7 | -35.2 | 178.1 | -79.1 | 114.4 | 0 | 0 | 0 | 113.4 | L500 E510 A511 Y853 G1108 I1109 K1110 | L500-W1106 HydrophobicContact CD2-CB 3.89Å; L500-W1106 HydrophobicContact CD2-CG 3.92Å; E510-W1106 PolarHBondContact OE1-N 3.18Å; A511-W1106 PolarHBondContact O-N 3.26Å; Y853-W1106 AromaticContact CD1-CD2 3.81Å; Y853-W1106 HydrophobicContact CD1-CD2 3.81Å; Y853-W1106 AromaticContact CD1-CE3 3.5Å; Y853-W1106 HydrophobicContact CD1-CE3 3.5Å; Y853-W1106 VanDerWaalsContact CD1-CE3 3.5Å; Y853-W1106 HydrophobicContact CD1-CG 4.42Å; Y853-W1106 HydrophobicContact CD1-CH2 4.23Å; Y853-W1106 AromaticContact CD1-CZ3 3.73Å; Y853-W1106 HydrophobicContact CD1-CZ3 3.73Å; Y853-W1106 HydrophobicContact CE1-CB 4.34Å; Y853-W1106 HydrophobicContact CE1-CD2 4.18Å; Y853-W1106 HydrophobicContact CE1-CE3 4.03Å; Y853-W1106 HydrophobicContact CE1-CG 4.36Å; W1106-G1108 PolarHBondContact O-N 3.05Å; W1106-I1109 HydrophobicContact CE3-CB 4.36Å; W1106-I1109 HydrophobicContact CE3-CD1 4.12Å; W1106-I1109 HydrophobicContact CE3-CG2 4.43Å; W1106-I1109 HydrophobicContact CZ3-CD1 4.33Å; W1106-I1109 HydrophobicContact CZ3-CG2 4.41Å; W1106-I1109 PolarHBondContact O-N 3.39Å; W1106-K1110 WeakPolarHBondContact O-CB 3.33Å; W1106-K1110 PolarHBondContact O-N 3.13Å |
| 1107 | T | 92.8 | Very high | 93.6 | Very high | 6 Ų | 6 | 7.2 Ų | 7.2 | 4% | 0.037 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.9 | -35.1 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 112.2 | E510 V712 H713 V770 S1105 H1111 | E510-T1107 VanDerWaalsContact CD-OG1 3.28Å; E510-T1107 WeakPolarHBondContact OE1-CB 3.19Å; E510-T1107 PolarHBondContact OE1-N 3.14Å; E510-T1107 PolarHBondContact OE1-OG1 2.65Å; E510-T1107 PolarHBondContact OE2-OG1 3.47Å; V712-T1107 HydrophobicContact CB-CG2 4.4Å; V712-T1107 HydrophobicContact CG1-CG2 4.41Å; H713-T1107 HydrophobicContact CB-CG2 4.3Å; V770-T1107 HydrophobicContact CG2-CG2 4.11Å; S1105-T1107 VanDerWaalsContact C-N 3.26Å; S1105-T1107 PolarHBondContact O-N 2.97Å; T1107-H1111 WeakPolarHBondContact O-CB 3.32Å; T1107-H1111 PolarHBondContact O-N 3.02Å |
| 1108 | G | 92.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69.6 | -45.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1007 S1105 W1106 | A1007-G1108 CarbonylContact O-C 3.25Å; A1007-G1108 VanDerWaalsContact O-O 3.11Å; S1105-G1108 PolarHBondContact O-N 3.19Å; W1106-G1108 PolarHBondContact O-N 3.05Å |
| 1109 | I | 94.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66 | -41.6 | -177 | -63.3 | 170.9 | 0 | 0 | 0 | 111.6 | N517 A1007 T1101 S1105 W1106 | N517-I1109 HydrophobicContact CB-CG2 4.36Å; N517-I1109 WeakPolarHBondContact CB-O 3.32Å; A1007-I1109 WeakPolarHBondContact O-CA 3.42Å; A1007-I1109 PolarHBondContact O-N 3.31Å; T1101-I1109 HydrophobicContact CG2-CD1 4.09Å; T1101-I1109 HydrophobicContact CG2-CG1 4.16Å; S1105-I1109 PolarHBondContact O-N 3.41Å; W1106-I1109 HydrophobicContact CE3-CB 4.36Å; W1106-I1109 HydrophobicContact CE3-CD1 4.12Å; W1106-I1109 HydrophobicContact CE3-CG2 4.43Å; W1106-I1109 HydrophobicContact CZ3-CD1 4.33Å; W1106-I1109 HydrophobicContact CZ3-CG2 4.41Å; W1106-I1109 PolarHBondContact O-N 3.39Å |
| 1110 | K | 93.7 | Very high | 94 | Very high | 23 Ų | 23 | 6.1 Ų | 6.1 | 10% | 0.1 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -89.2 | -34 | -171 | -76.8 | -59.7 | -158.3 | 169.4 | 0 | 114.8 | N517 F852 Y853 W1106 | N517-K1110 HydrophobicContact CB-CD 4.44Å; N517-K1110 PolarHBondContact OD1-NZ 2.91Å; F852-K1110 VanDerWaalsContact O-CE 3.28Å; F852-K1110 WeakPolarHBondContact O-CE 3.18Å; F852-K1110 PolarHBondContact O-NZ 3.24Å; Y853-K1110 HydrophobicContact CD1-CG 4.22Å; Y853-K1110 HydrophobicContact CE1-CG 3.79Å; W1106-K1110 WeakPolarHBondContact O-CB 3.33Å; W1106-K1110 PolarHBondContact O-N 3.13Å |
| 1111 | H | 95.7 | Very high | 94.2 | Very high | 7 Ų | 7 | 4.7 Ų | 4.7 | 3% | 0.032 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -126.8 | 14.6 | -160.2 | -55.4 | -57.6 | 0 | 0 | 0 | 113.6 | D533 Q536 Q537 E711 H713 T1107 | D533-H1111 IonicContact OD1-CE1 3.73Å; Q536-H1111 PolarHBondContact OE1-O 2.74Å; Q537-H1111 WeakPolarHBondContact CB-O 3.42Å; Q537-H1111 WeakPolarHBondContact CG-O 3.46Å; Q537-H1111 PolarHBondContact N-O 3.11Å; E711-H1111 IonicContact OE2-CD2 2.8Å; E711-H1111 IonicContact OE2-CE1 3.02Å; E711-H1111 IonicContact OE2-NE2 3.3Å; E711-H1111 PolarHBondContact OE2-NE2 3.5Å; H713-H1111 HydrophobicContact CB-CB 4.23Å; H713-H1111 VanDerWaalsContact CB-CD2 3.44Å; H713-H1111 WeakPolarHBondContact CB-CD2 3.46Å; H713-H1111 AromaticContact CD2-CD2 3.91Å; H713-H1111 AromaticContact CD2-CE1 3.9Å; H713-H1111 AromaticContact CD2-CG 3.6Å; H713-H1111 AromaticContact CD2-ND1 3.63Å; H713-H1111 AromaticContact CG-CD2 3.71Å; H713-H1111 AromaticContact CG-CG 3.62Å; T1107-H1111 WeakPolarHBondContact O-CB 3.32Å; T1107-H1111 PolarHBondContact O-N 3.02Å |
| 1112 | A | 93.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.023 | C | C | . | . | B | Isolated β-bridge | trans | -134 | 139.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q537 P1009 | Q537-A1112 HydrophobicContact CB-CB 4.26Å; P1009-A1112 HydrophobicContact CG-CB 3.71Å |
| 1113 | G | 92.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 3.3 Ų | 3.3 | 2% | 0.021 | 2% | 0.017 | C | C | . | . | S | Bend | trans | 85.8 | 165.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | H1097 | H1097-G1113 VanDerWaalsContact CB-C 3.48Š|
| 1114 | L | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 3.4 Ų | 3.4 | 2% | 0.016 | 2% | 0.017 | C | C | . | . | trans | -122.5 | 166.9 | 179.8 | -66.6 | 179.4 | 0 | 0 | 0 | 113.8 | Q536 E789 V791 S1073 E1074 G1096 H1097 W1116 | Q536-L1114 HydrophobicContact CB-CD2 3.74Å; Q536-L1114 HydrophobicContact CG-CD2 3.82Å; E789-L1114 VanDerWaalsContact CD-CD1 3.42Å; E789-L1114 HydrophobicContact CG-CD1 4.43Å; E789-L1114 WeakPolarHBondContact OE2-CD1 3.41Å; V791-L1114 HydrophobicContact CG2-CD2 3.33Å; S1073-L1114 WeakPolarHBondContact CB-O 3.45Å; S1073-L1114 WeakPolarHBondContact O-CB 3.37Å; S1073-L1114 PolarHBondContact O-N 3.32Å; E1074-L1114 VanDerWaalsContact CA-CD1 3.45Å; E1074-L1114 HydrophobicContact CB-CD1 4.43Å; G1096-L1114 CarbonylContact C-O 3.57Å; G1096-L1114 WeakPolarHBondContact CA-O 3.29Å; H1097-L1114 PolarHBondContact N-O 3.03Å; H1097-L1114 PolarHBondContact ND1-O 3.07Å; L1114-W1116 PolarHBondContact O-N 3.28Å | ||
| 1115 | P | 96.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 3.6 Ų | 3.6 | 1% | 0.013 | 2% | 0.018 | C | C | . | . | trans | -53.7 | 131.7 | 169.4 | -25.2 | 34.6 | 0 | 0 | 0 | 111.5 | L521 L900 S1073 H1097 E1117 L1118 | L521-P1115 HydrophobicContact CD1-CG 3.61Å; L521-P1115 HydrophobicContact CD2-CG 3.92Å; L521-P1115 HydrophobicContact CG-CG 4.36Å; L900-P1115 HydrophobicContact CD1-CB 3.99Å; L900-P1115 HydrophobicContact CD1-CG 4.05Å; L900-P1115 HydrophobicContact CG-CB 4.49Å; L900-P1115 HydrophobicContact CG-CG 4.49Å; S1073-P1115 PolarHBondContact OG-O 3.12Å; H1097-P1115 WeakPolarHBondContact ND1-CA 3.35Å; P1115-E1117 VanDerWaalsContact CB-OE2 3.23Å; P1115-E1117 WeakPolarHBondContact CB-OE2 3.37Å; P1115-E1117 PolarHBondContact O-N 3.14Å; P1115-E1117 VanDerWaalsContact O-N 3.15Å; P1115-L1118 PolarHBondContact O-N 2.98Å; P1115-L1118 VanDerWaalsContact O-N 3.12Å | ||
| 1116 | W | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -63 | -22.7 | -179.6 | 58.2 | -104 | 0 | 0 | 0 | 112.2 | L1114 L1118 G1119 I1120 V1140 G1142 I1144 I1152 A1153 L1156 | L1114-W1116 PolarHBondContact O-N 3.28Å; W1116-L1118 PolarHBondContact O-N 3.4Å; W1116-G1119 PolarHBondContact O-N 3.49Å; W1116-I1120 HydrophobicContact CE3-CG2 3.91Å; W1116-I1120 HydrophobicContact CZ3-CG2 4.25Å; W1116-I1120 WeakPolarHBondContact O-CB 3.11Å; W1116-I1120 WeakPolarHBondContact O-CG2 3.42Å; W1116-I1120 PolarHBondContact O-N 3.5Å; W1116-V1140 HydrophobicContact CB-CG2 3.72Å; W1116-V1140 HydrophobicContact CD2-CG2 3.74Å; W1116-V1140 HydrophobicContact CE3-CG2 3.71Å; W1116-V1140 HydrophobicContact CG-CG2 3.78Å; W1116-G1142 PolarHBondContact NE1-O 3.46Å; W1116-I1144 HydrophobicContact CZ2-CG1 4.35Å; W1116-I1152 HydrophobicContact CH2-CG2 4.46Å; W1116-A1153 HydrophobicContact CH2-CB 3.74Å; W1116-A1153 HydrophobicContact CZ3-CB 3.7Å; W1116-L1156 HydrophobicContact CZ3-CD1 4.19Å |
| 1117 | E | 97.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 2.8 Ų | 2.8 | 1% | 0.009 | 1% | 0.014 | C | C | . | . | H | α-helix | trans | -56.1 | -40.5 | 175.8 | -63.7 | 92.1 | 147.3 | 0 | 0 | 111 | L900 R901 P1115 A1121 L1156 L1258 | L900-E1117 HydrophobicContact CB-CB 4.46Å; L900-E1117 HydrophobicContact CB-CG 4.36Å; R901-E1117 HydrophobicContact CB-CG 3.96Å; R901-E1117 VanDerWaalsContact CB-OE1 3.27Å; R901-E1117 WeakPolarHBondContact CB-OE1 3.37Å; R901-E1117 WeakPolarHBondContact CD-OE1 3.4Å; R901-E1117 WeakPolarHBondContact CG-OE1 3.45Å; R901-E1117 IonicContact CZ-OE1 2.64Å; R901-E1117 PolarHBondContact N-OE1 3.25Å; R901-E1117 IonicContact NE-OE1 3.48Å; R901-E1117 IonicContact NH1-OE1 3.73Å; R901-E1117 PolarHBondContact NH1-OE1 3.24Å; R901-E1117 IonicContact NH1-OE2 3.39Å; P1115-E1117 VanDerWaalsContact CB-OE2 3.23Å; P1115-E1117 WeakPolarHBondContact CB-OE2 3.37Å; P1115-E1117 PolarHBondContact O-N 3.14Å; P1115-E1117 VanDerWaalsContact O-N 3.15Å; E1117-A1121 VanDerWaalsContact O-CB 3.24Å; E1117-A1121 WeakPolarHBondContact O-CB 3.5Å; E1117-A1121 PolarHBondContact O-N 2.79Å; E1117-L1156 HydrophobicContact CB-CD1 4.03Å; E1117-L1156 HydrophobicContact CG-CD1 4.26Å; E1117-L1258 HydrophobicContact CB-CD1 4.01Å; E1117-L1258 WeakPolarHBondContact O-CD1 3.5Å |
| 1118 | L | 96 | Very high | 93.6 | Very high | 2 Ų | 2 | 3.3 Ų | 3.3 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -71.2 | -49.9 | 176.8 | -64.6 | 175.1 | 0 | 0 | 0 | 110.9 | L14 V809 L900 P1115 W1116 A1121 E1122 L1258 | L14-L1118 HydrophobicContact CD2-CD2 4.17Å; V809-L1118 HydrophobicContact CG1-CD2 3.81Å; L900-L1118 HydrophobicContact CD1-CD1 4.27Å; L900-L1118 HydrophobicContact CD1-CD2 4.32Å; L900-L1118 HydrophobicContact CD1-CG 4.03Å; P1115-L1118 PolarHBondContact O-N 2.98Å; P1115-L1118 VanDerWaalsContact O-N 3.12Å; W1116-L1118 PolarHBondContact O-N 3.4Å; L1118-A1121 PolarHBondContact O-N 3.46Å; L1118-E1122 VanDerWaalsContact O-CB 3.26Å; L1118-E1122 WeakPolarHBondContact O-CB 3.34Å; L1118-E1122 PolarHBondContact O-N 3.45Å; L1118-L1258 HydrophobicContact CD2-CD1 4.04Å |
| 1119 | G | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -66.6 | -40.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1073 W1116 T1123 | S1073-G1119 WeakPolarHBondContact OG-CA 3.47Å; S1073-G1119 PolarHBondContact OG-N 3.29Å; W1116-G1119 PolarHBondContact O-N 3.49Å; G1119-T1123 VanDerWaalsContact O-CB 3.22Å; G1119-T1123 WeakPolarHBondContact O-CB 3.48Å; G1119-T1123 PolarHBondContact O-N 3.36Å; G1119-T1123 PolarHBondContact O-OG1 3.23Å |
| 1120 | I | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 179.7 | -163.6 | 63.2 | 0 | 0 | 0 | 111 | I1094 W1116 T1123 H1124 L1138 V1140 L1156 A1158 | I1094-I1120 HydrophobicContact CB-CD1 4.26Å; I1094-I1120 HydrophobicContact CG1-CD1 4.05Å; W1116-I1120 HydrophobicContact CE3-CG2 3.91Å; W1116-I1120 HydrophobicContact CZ3-CG2 4.25Å; W1116-I1120 WeakPolarHBondContact O-CB 3.11Å; W1116-I1120 WeakPolarHBondContact O-CG2 3.42Å; W1116-I1120 PolarHBondContact O-N 3.5Å; I1120-T1123 PolarHBondContact O-N 3.17Å; I1120-H1124 WeakPolarHBondContact O-CB 3.31Å; I1120-H1124 PolarHBondContact O-N 3.45Å; I1120-L1138 HydrophobicContact CD1-CB 4.03Å; I1120-L1138 HydrophobicContact CD1-CD1 4.26Å; I1120-V1140 HydrophobicContact CD1-CB 4.3Å; I1120-V1140 HydrophobicContact CG1-CB 4.46Å; I1120-L1156 HydrophobicContact CG2-CB 3.73Å; I1120-L1156 HydrophobicContact CG2-CD1 4.25Å; I1120-A1158 HydrophobicContact CD1-CB 4.19Å; I1120-A1158 HydrophobicContact CG1-CB 4.09Å |
| 1121 | A | 95 | Very high | 91.4 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 2% | 0.017 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.3 | -47.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L14 E1117 L1118 T1123 H1124 Q1125 L1156 L1258 | L14-A1121 HydrophobicContact CD1-CB 3.68Å; E1117-A1121 VanDerWaalsContact O-CB 3.24Å; E1117-A1121 WeakPolarHBondContact O-CB 3.5Å; E1117-A1121 PolarHBondContact O-N 2.79Å; L1118-A1121 PolarHBondContact O-N 3.46Å; A1121-T1123 VanDerWaalsContact C-N 3.32Å; A1121-T1123 PolarHBondContact O-N 2.74Å; A1121-H1124 PolarHBondContact O-N 3.39Å; A1121-Q1125 VanDerWaalsContact O-CB 3.31Å; A1121-Q1125 WeakPolarHBondContact O-CB 3.45Å; A1121-Q1125 WeakPolarHBondContact O-CG 3.34Å; A1121-Q1125 PolarHBondContact O-N 3.45Å; A1121-L1156 HydrophobicContact CB-CB 4.47Å; A1121-L1156 HydrophobicContact CB-CD2 4.5Å; A1121-L1258 HydrophobicContact CB-CD1 4.36Å; A1121-L1258 HydrophobicContact CB-CG 4.35Å |
| 1122 | E | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 175.9 | -172.3 | -167.1 | 140.1 | 0 | 0 | 111.7 | L14 R808 G1076 V1077 G1078 L1118 Q1125 S1126 | L14-E1122 HydrophobicContact CB-CB 4.04Å; L14-E1122 HydrophobicContact CB-CG 4.19Å; L14-E1122 HydrophobicContact CD1-CB 4.45Å; R808-E1122 IonicContact CZ-OE2 2.64Å; R808-E1122 IonicContact NH1-OE2 2.72Å; R808-E1122 PolarHBondContact NH1-OE2 2.9Å; G1076-E1122 VanDerWaalsContact C-OE1 3.23Å; G1076-E1122 WeakPolarHBondContact CA-OE1 3.37Å; G1076-E1122 PolarHBondContact N-OE1 3.45Å; V1077-E1122 PolarHBondContact N-OE1 2.97Å; V1077-E1122 VanDerWaalsContact N-OE1 3.13Å; G1078-E1122 PolarHBondContact N-OE1 2.76Å; L1118-E1122 VanDerWaalsContact O-CB 3.26Å; L1118-E1122 WeakPolarHBondContact O-CB 3.34Å; L1118-E1122 PolarHBondContact O-N 3.45Å; E1122-Q1125 PolarHBondContact O-N 3.37Å; E1122-S1126 WeakPolarHBondContact O-CB 3.49Å; E1122-S1126 PolarHBondContact O-N 3.4Å; E1122-S1126 PolarHBondContact O-OG 3.28Å |
| 1123 | T | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | A1081 I1094 G1119 I1120 A1121 L1127 L1138 | A1081-T1123 HydrophobicContact CB-CG2 3.55Å; I1094-T1123 HydrophobicContact CD1-CG2 4.3Å; I1094-T1123 HydrophobicContact CG1-CG2 4.37Å; G1119-T1123 VanDerWaalsContact O-CB 3.22Å; G1119-T1123 WeakPolarHBondContact O-CB 3.48Å; G1119-T1123 PolarHBondContact O-N 3.36Å; G1119-T1123 PolarHBondContact O-OG1 3.23Å; I1120-T1123 PolarHBondContact O-N 3.17Å; A1121-T1123 VanDerWaalsContact C-N 3.32Å; A1121-T1123 PolarHBondContact O-N 2.74Å; T1123-L1127 HydrophobicContact CG2-CD1 3.67Å; T1123-L1127 HydrophobicContact CG2-CG 4.36Å; T1123-L1127 VanDerWaalsContact O-CB 3.29Å; T1123-L1127 WeakPolarHBondContact O-CB 3.35Å; T1123-L1127 VanDerWaalsContact O-CG 3.24Å; T1123-L1127 WeakPolarHBondContact O-CG 3.09Å; T1123-L1127 PolarHBondContact O-N 2.89Å; T1123-L1138 HydrophobicContact CG2-CD1 3.88Å; T1123-L1138 HydrophobicContact CG2-CD2 3.74Å; T1123-L1138 HydrophobicContact CG2-CG 4.49Å |
| 1124 | H | 93.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 11.7 Ų | 11.7 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 178.3 | 179.3 | 51.5 | 0 | 0 | 0 | 112.2 | I1120 A1121 T1128 R1133 L1138 G1234 | I1120-H1124 WeakPolarHBondContact O-CB 3.31Å; I1120-H1124 PolarHBondContact O-N 3.45Å; A1121-H1124 PolarHBondContact O-N 3.39Å; H1124-T1128 PolarHBondContact CE1-OG1 2.95Å; H1124-T1128 VanDerWaalsContact O-CB 3.26Å; H1124-T1128 WeakPolarHBondContact O-CB 2.97Å; H1124-T1128 PolarHBondContact O-N 3.23Å; H1124-T1128 PolarHBondContact O-OG1 3.07Å; H1124-R1133 PolarHBondContact ND1-NE 2.87Å; H1124-R1133 VanDerWaalsContact ND1-NE 3.19Å; H1124-L1138 HydrophobicContact CB-CD1 4.21Å; H1124-G1234 VanDerWaalsContact NE2-CA 3.28Å; H1124-G1234 WeakPolarHBondContact NE2-CA 3.45Å |
| 1125 | Q | 90.8 | Very high | 89 | Confident | 4 Ų | 4 | 15.4 Ų | 15.4 | 2% | 0.019 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 177.7 | -70.9 | 170.8 | 10.9 | 0 | 0 | 111 | A1121 E1122 T1128 S1129 R1257 T1262 | A1121-Q1125 VanDerWaalsContact O-CB 3.31Å; A1121-Q1125 WeakPolarHBondContact O-CB 3.45Å; A1121-Q1125 WeakPolarHBondContact O-CG 3.34Å; A1121-Q1125 PolarHBondContact O-N 3.45Å; E1122-Q1125 PolarHBondContact O-N 3.37Å; Q1125-T1128 PolarHBondContact O-N 2.88Å; Q1125-S1129 WeakPolarHBondContact O-CB 3.45Å; Q1125-S1129 PolarHBondContact O-N 2.77Å; Q1125-S1129 PolarHBondContact O-OG 3.31Å; Q1125-R1257 PolarHBondContact NE2-O 2.63Å; Q1125-T1262 HydrophobicContact CB-CG2 4.42Å; Q1125-T1262 HydrophobicContact CG-CG2 4.11Å |
| 1126 | S | 87.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | -179 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | G1078 E1122 T1128 S1129 Q1130 | G1078-S1126 WeakPolarHBondContact O-CB 3.26Å; E1122-S1126 WeakPolarHBondContact O-CB 3.49Å; E1122-S1126 PolarHBondContact O-N 3.4Å; E1122-S1126 PolarHBondContact O-OG 3.28Å; S1126-T1128 VanDerWaalsContact C-N 3.26Å; S1126-T1128 PolarHBondContact O-N 2.82Å; S1126-S1129 PolarHBondContact O-N 2.69Å; S1126-S1129 PolarHBondContact O-OG 3.18Å; S1126-Q1130 WeakPolarHBondContact O-CB 3.5Å; S1126-Q1130 VanDerWaalsContact O-CG 3.29Å; S1126-Q1130 WeakPolarHBondContact O-CG 3.39Å; S1126-Q1130 PolarHBondContact O-N 3.29Å |
| 1127 | L | 87.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62 | -34.1 | 178.7 | -72.4 | 171 | 0 | 0 | 0 | 112.8 | A1082 A1085 T1123 Q1131 A1132 R1133 V1136 L1138 | A1082-L1127 HydrophobicContact CB-CD2 4.18Å; A1085-L1127 HydrophobicContact CB-CD2 3.96Å; T1123-L1127 HydrophobicContact CG2-CD1 3.67Å; T1123-L1127 HydrophobicContact CG2-CG 4.36Å; T1123-L1127 VanDerWaalsContact O-CB 3.29Å; T1123-L1127 WeakPolarHBondContact O-CB 3.35Å; T1123-L1127 VanDerWaalsContact O-CG 3.24Å; T1123-L1127 WeakPolarHBondContact O-CG 3.09Å; T1123-L1127 PolarHBondContact O-N 2.89Å; L1127-Q1131 PolarHBondContact O-N 3.06Å; L1127-A1132 HydrophobicContact CD2-CB 3.89Å; L1127-A1132 PolarHBondContact O-N 3.05Å; L1127-R1133 HydrophobicContact CB-CB 3.85Å; L1127-R1133 PolarHBondContact O-N 2.98Å; L1127-V1136 HydrophobicContact CD1-CG2 3.62Å; L1127-V1136 HydrophobicContact CD2-CG2 4.45Å; L1127-L1138 HydrophobicContact CD1-CD1 4.26Å; L1127-L1138 HydrophobicContact CD1-CD2 3.84Å; L1127-L1138 HydrophobicContact CD1-CG 4.46Å |
| 1128 | T | 86.6 | Confident | 88.3 | Confident | 17 Ų | 17 | 18.3 Ų | 18.3 | 10% | 0.104 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.8 | -46 | 177.4 | -58.1 | 0 | 0 | 0 | 0 | 110.7 | H1124 Q1125 S1126 Q1130 Q1131 E1263 | H1124-T1128 PolarHBondContact CE1-OG1 2.95Å; H1124-T1128 VanDerWaalsContact O-CB 3.26Å; H1124-T1128 WeakPolarHBondContact O-CB 2.97Å; H1124-T1128 PolarHBondContact O-N 3.23Å; H1124-T1128 PolarHBondContact O-OG1 3.07Å; Q1125-T1128 PolarHBondContact O-N 2.88Å; S1126-T1128 VanDerWaalsContact C-N 3.26Å; S1126-T1128 PolarHBondContact O-N 2.82Å; T1128-Q1130 PolarHBondContact O-N 3.45Å; T1128-Q1130 VanDerWaalsContact O-N 3.13Å; T1128-Q1131 PolarHBondContact O-N 2.94Å; T1128-E1263 WeakPolarHBondContact CG2-O 3.1Å |
| 1129 | S | 80.5 | Confident | 88.4 | Confident | 48 Ų | 48 | 18.4 Ų | 18.4 | 34% | 0.336 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.5 | -27.8 | 176.3 | 73.9 | 0 | 0 | 0 | 0 | 113 | Q1125 S1126 | Q1125-S1129 WeakPolarHBondContact O-CB 3.45Å; Q1125-S1129 PolarHBondContact O-N 2.77Å; Q1125-S1129 PolarHBondContact O-OG 3.31Å; S1126-S1129 PolarHBondContact O-N 2.69Å; S1126-S1129 PolarHBondContact O-OG 3.18Å |
| 1130 | Q | 75.3 | Confident | 88.5 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.019 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 6 | -179.1 | -68 | -168.3 | 39.5 | 0 | 0 | 114.3 | N237 T238 F239 A1082 S1126 T1128 A1132 | N237-Q1130 VanDerWaalsContact CA-OE1 3.26Å; T238-Q1130 HydrophobicContact CG2-CB 4.44Å; T238-Q1130 WeakPolarHBondContact OG1-CA 3.49Å; T238-Q1130 WeakPolarHBondContact OG1-CB 3.43Å; T238-Q1130 WeakPolarHBondContact OG1-CG 3.4Å; T238-Q1130 PolarHBondContact OG1-OE1 3.23Å; F239-Q1130 HydrophobicContact CE2-CG 4.25Å; A1082-Q1130 VanDerWaalsContact CB-OE1 3.23Å; S1126-Q1130 WeakPolarHBondContact O-CB 3.5Å; S1126-Q1130 VanDerWaalsContact O-CG 3.29Å; S1126-Q1130 WeakPolarHBondContact O-CG 3.39Å; S1126-Q1130 PolarHBondContact O-N 3.29Å; T1128-Q1130 PolarHBondContact O-N 3.45Å; T1128-Q1130 VanDerWaalsContact O-N 3.13Å; Q1130-A1132 HydrophobicContact CB-CB 4.47Å; Q1130-A1132 PolarHBondContact O-N 2.96Å; Q1130-A1132 VanDerWaalsContact O-N 3.08Å |
| 1131 | Q | 78 | Confident | 88.5 | Confident | 107 Ų | 107 | 18.9 Ų | 18.9 | 50% | 0.5 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 29.3 | -176.2 | -58.8 | -175.9 | -29.6 | 0 | 0 | 113.9 | C59 L1127 T1128 | C59-Q1131 HydrophobicContact CB-CB 4.16Å; L1127-Q1131 PolarHBondContact O-N 3.06Å; T1128-Q1131 PolarHBondContact O-N 2.94Å |
| 1132 | A | 80.5 | Confident | 88.5 | Confident | 6 Ų | 6 | 19 Ų | 19 | 5% | 0.05 | 10% | 0.097 | C | C | . | . | trans | -105.8 | -12.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1085 L1127 Q1130 S1134 R1135 | A1085-A1132 HydrophobicContact CB-CB 4.44Å; L1127-A1132 HydrophobicContact CD2-CB 3.89Å; L1127-A1132 PolarHBondContact O-N 3.05Å; Q1130-A1132 HydrophobicContact CB-CB 4.47Å; Q1130-A1132 PolarHBondContact O-N 2.96Å; Q1130-A1132 VanDerWaalsContact O-N 3.08Å; A1132-S1134 PolarHBondContact O-N 3.29Å; A1132-S1134 VanDerWaalsContact O-N 3.17Å; A1132-R1135 WeakPolarHBondContact O-CB 3.35Å; A1132-R1135 PolarHBondContact O-N 3.21Å | ||
| 1133 | R | 86.1 | Confident | 88.5 | Confident | 8 Ų | 8 | 19.5 Ų | 19.5 | 3% | 0.03 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -59.2 | -29.8 | -175.5 | -176.9 | 59.2 | -175.6 | 85.3 | -2.3 | 113.8 | H1124 L1127 R1135 V1136 G1157 D1159 | H1124-R1133 PolarHBondContact ND1-NE 2.87Å; H1124-R1133 VanDerWaalsContact ND1-NE 3.19Å; L1127-R1133 HydrophobicContact CB-CB 3.85Å; L1127-R1133 PolarHBondContact O-N 2.98Å; R1133-R1135 VanDerWaalsContact C-N 3.25Å; R1133-R1135 PolarHBondContact O-N 3.44Å; R1133-V1136 PolarHBondContact NH1-O 3.39Å; R1133-V1136 VanDerWaalsContact O-O 3.12Å; R1133-G1157 PolarHBondContact NH2-O 3.07Å; R1133-D1159 IonicContact CZ-OD2 2.67Å; R1133-D1159 IonicContact NH1-OD2 3.3Å; R1133-D1159 PolarHBondContact NH1-OD2 2.67Å; R1133-D1159 VanDerWaalsContact NH2-CG 3.26Å; R1133-D1159 IonicContact NH2-OD1 3.2Å; R1133-D1159 PolarHBondContact NH2-OD1 2.97Å; R1133-D1159 IonicContact NH2-OD2 3.17Å; R1133-D1159 PolarHBondContact NH2-OD2 3.34Å |
| 1134 | S | 80.9 | Confident | 88.5 | Confident | 37 Ų | 37 | 19.6 Ų | 19.6 | 26% | 0.259 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -70.2 | -18.6 | 178.4 | 58.7 | 0 | 0 | 0 | 0 | 114 | A1132 | A1132-S1134 PolarHBondContact O-N 3.29Å; A1132-S1134 VanDerWaalsContact O-N 3.17Å |
| 1135 | R | 80.6 | Confident | 88.6 | Confident | 80 Ų | 80 | 19.6 Ų | 19.6 | 30% | 0.302 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -84.9 | -17.5 | -177.1 | -59.2 | -178 | 176.9 | -168.9 | -2.6 | 113.9 | C59 A1132 R1133 | C59-R1135 PolarHBondContact O-NH2 2.79Å; A1132-R1135 WeakPolarHBondContact O-CB 3.35Å; A1132-R1135 PolarHBondContact O-N 3.21Å; R1133-R1135 VanDerWaalsContact C-N 3.25Å; R1133-R1135 PolarHBondContact O-N 3.44Å |
| 1136 | V | 88.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | trans | -131.2 | 144.7 | -172.1 | -63.6 | 0 | 0 | 0 | 0 | 112 | A1085 A1089 S1090 I1092 L1127 R1133 L1138 | A1085-V1136 HydrophobicContact CB-CG1 3.73Å; A1089-V1136 WeakPolarHBondContact O-CG1 3.43Å; S1090-V1136 WeakPolarHBondContact O-CA 3.32Å; I1092-V1136 HydrophobicContact CD1-CB 4.41Å; I1092-V1136 HydrophobicContact CD1-CG1 4.21Å; I1092-V1136 HydrophobicContact CD1-CG2 4.3Å; I1092-V1136 HydrophobicContact CG1-CG1 4.44Å; L1127-V1136 HydrophobicContact CD1-CG2 3.62Å; L1127-V1136 HydrophobicContact CD2-CG2 4.45Å; R1133-V1136 PolarHBondContact NH1-O 3.39Å; R1133-V1136 VanDerWaalsContact O-O 3.12Å; V1136-L1138 HydrophobicContact CG2-CD2 4.17Å | ||
| 1137 | K | 92.1 | Very high | 89.3 | Confident | 65 Ų | 65 | 19.5 Ų | 19.5 | 28% | 0.283 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 138.6 | 160.8 | -75.2 | -176.2 | 175.9 | -173.9 | 0 | 110.3 | S1090 H1091 I1092 D1159 E1160 Y1269 | S1090-K1137 PolarHBondContact O-N 2.97Å; H1091-K1137 CarbonylContact C-O 3.39Å; H1091-K1137 WeakPolarHBondContact CA-O 3.45Å; I1092-K1137 PolarHBondContact N-O 3.36Å; K1137-D1159 WeakPolarHBondContact CA-OD2 3.33Å; K1137-E1160 IonicContact NZ-OE1 2.79Å; K1137-E1160 PolarHBondContact NZ-OE1 3.03Å; K1137-Y1269 HydrophobicContact CG-CD1 3.99Å; K1137-Y1269 HydrophobicContact CG-CE1 3.65Å |
| 1138 | L | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127 | 174.9 | -60.5 | -175 | 0 | 0 | 0 | 110.4 | I1092 I1120 T1123 H1124 L1127 V1136 D1159 E1160 | I1092-L1138 HydrophobicContact CB-CD2 3.9Å; I1092-L1138 HydrophobicContact CG2-CD2 4.48Å; I1092-L1138 CarbonylContact O-C 3.57Å; I1092-L1138 WeakPolarHBondContact O-CA 3.3Å; I1120-L1138 HydrophobicContact CD1-CB 4.03Å; I1120-L1138 HydrophobicContact CD1-CD1 4.26Å; T1123-L1138 HydrophobicContact CG2-CD1 3.88Å; T1123-L1138 HydrophobicContact CG2-CD2 3.74Å; T1123-L1138 HydrophobicContact CG2-CG 4.49Å; H1124-L1138 HydrophobicContact CB-CD1 4.21Å; L1127-L1138 HydrophobicContact CD1-CD1 4.26Å; L1127-L1138 HydrophobicContact CD1-CD2 3.84Å; L1127-L1138 HydrophobicContact CD1-CG 4.46Å; V1136-L1138 HydrophobicContact CG2-CD2 4.17Å; L1138-D1159 PolarHBondContact N-OD2 3.1Å; L1138-D1159 WeakPolarHBondContact O-CA 3.43Å; L1138-D1159 WeakPolarHBondContact O-CB 3.42Å; L1138-D1159 PolarHBondContact O-N 3.44Å; L1138-E1160 PolarHBondContact O-N 3.16Å; L1138-E1160 VanDerWaalsContact O-N 3.13Å |
| 1139 | Q | 97.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.5 | 169.1 | 179.6 | 179.6 | 76.6 | 0 | 0 | 109.5 | S929 H1091 I1092 T1093 I1094 E1160 A1162 | S929-Q1139 PolarHBondContact OG-NE2 3.32Å; H1091-Q1139 WeakPolarHBondContact CE1-CB 3.48Å; H1091-Q1139 WeakPolarHBondContact NE2-CB 3.39Å; I1092-Q1139 PolarHBondContact O-N 3.38Å; T1093-Q1139 CarbonylContact C-O 3.54Å; T1093-Q1139 VanDerWaalsContact CA-O 3.26Å; T1093-Q1139 WeakPolarHBondContact CA-O 3.46Å; T1093-Q1139 HydrophobicContact CG2-CB 4.37Å; T1093-Q1139 HydrophobicContact CG2-CG 4.22Å; T1093-Q1139 PolarHBondContact OG1-OE1 2.94Å; I1094-Q1139 PolarHBondContact N-O 3.36Å; Q1139-E1160 VanDerWaalsContact CA-O 3.25Å; Q1139-E1160 WeakPolarHBondContact CA-O 3.19Å; Q1139-E1160 HydrophobicContact CB-CB 4.08Å; Q1139-E1160 HydrophobicContact CG-CB 4.15Å; Q1139-A1162 HydrophobicContact CG-CB 4.09Å |
| 1140 | V | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.4 | 172.7 | 64 | 0 | 0 | 0 | 0 | 111.4 | I1094 W1116 I1120 I1144 A1153 A1158 E1160 F1161 A1162 | I1094-V1140 WeakPolarHBondContact O-CA 3.34Å; W1116-V1140 HydrophobicContact CB-CG2 3.72Å; W1116-V1140 HydrophobicContact CD2-CG2 3.74Å; W1116-V1140 HydrophobicContact CE3-CG2 3.71Å; W1116-V1140 HydrophobicContact CG-CG2 3.78Å; I1120-V1140 HydrophobicContact CD1-CB 4.3Å; I1120-V1140 HydrophobicContact CG1-CB 4.46Å; V1140-I1144 HydrophobicContact CB-CD1 4.33Å; V1140-I1144 HydrophobicContact CG1-CD1 3.46Å; V1140-I1144 VanDerWaalsContact CG1-CD1 3.46Å; V1140-I1144 HydrophobicContact CG2-CD1 4.32Å; V1140-A1153 HydrophobicContact CG1-CB 3.66Å; V1140-A1158 HydrophobicContact CB-CB 4.29Å; V1140-A1158 HydrophobicContact CG1-CB 3.78Å; V1140-E1160 PolarHBondContact N-O 3.44Å; V1140-E1160 VanDerWaalsContact N-O 3.13Å; V1140-F1161 HydrophobicContact CG1-CD1 3.86Å; V1140-F1161 HydrophobicContact CG1-CE1 4.42Å; V1140-A1162 PolarHBondContact O-N 2.89Å |
| 1141 | D | 96.8 | Very high | 92.2 | Very high | 9 Ų | 9 | 16.7 Ų | 16.7 | 5% | 0.048 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.9 | 164.1 | 76.6 | 28.3 | 0 | 0 | 0 | 112.1 | K1070 I1094 S1095 G1096 A1162 | K1070-D1141 IonicContact NZ-OD1 3.24Å; K1070-D1141 IonicContact NZ-OD2 2.77Å; K1070-D1141 PolarHBondContact NZ-OD2 2.63Å; I1094-D1141 PolarHBondContact O-N 3.11Å; I1094-D1141 VanDerWaalsContact O-N 3.13Å; S1095-D1141 WeakPolarHBondContact CA-OD1 3.13Å; S1095-D1141 WeakPolarHBondContact CB-OD1 3.22Å; S1095-D1141 PolarHBondContact OG-OD1 3.18Å; S1095-D1141 PolarHBondContact OG-OD2 3.38Å; G1096-D1141 PolarHBondContact N-O 3.44Å; D1141-A1162 HydrophobicContact CB-CB 3.84Å; D1141-A1162 VanDerWaalsContact CB-O 3.29Å; D1141-A1162 WeakPolarHBondContact CB-O 3.35Å |
| 1142 | G | 94.1 | Very high | 93.1 | Very high | 5 Ų | 5 | 11.6 Ų | 11.6 | 5% | 0.052 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 131.1 | 96.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1098 W1116 I1144 | D1098-G1142 WeakPolarHBondContact OD1-CA 3.25Å; W1116-G1142 PolarHBondContact NE1-O 3.46Å; G1142-I1144 PolarHBondContact O-N 3.21Å |
| 1143 | Q | 93.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 11.3 Ų | 11.3 | 5% | 0.051 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 36.5 | 43.5 | -176.8 | -54 | -67.3 | -37.1 | 0 | 0 | 115.6 | M863 N864 R901 D1098 T1165 | M863-Q1143 HydrophobicContact CE-CB 3.6Å; M863-Q1143 HydrophobicContact CE-CG 4.43Å; M863-Q1143 HydrophobicContact SD-CB 3.73Å; M863-Q1143 HydrophobicContact SD-CG 4.01Å; N864-Q1143 PolarHBondContact ND2-OE1 3.32Å; R901-Q1143 PolarHBondContact NH2-O 2.75Å; D1098-Q1143 HydrophobicContact CB-CB 4.49Å; D1098-Q1143 HydrophobicContact CB-CG 3.7Å; D1098-Q1143 WeakPolarHBondContact O-CG 3.32Å; D1098-Q1143 PolarHBondContact O-NE2 3.16Å; D1098-Q1143 VanDerWaalsContact OD2-CB 3.31Å; D1098-Q1143 WeakPolarHBondContact OD2-CB 3.36Å; D1098-Q1143 WeakPolarHBondContact OD2-CG 3.5Å; Q1143-T1165 PolarHBondContact NE2-OG1 3.04Å |
| 1144 | I | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.015 | 5% | 0.052 | C | C | . | . | trans | -80.6 | 119.5 | 170.1 | -58.8 | 176.9 | 0 | 0 | 0 | 107.9 | W1116 V1140 G1142 D1149 V1150 M1163 | W1116-I1144 HydrophobicContact CZ2-CG1 4.35Å; V1140-I1144 HydrophobicContact CB-CD1 4.33Å; V1140-I1144 HydrophobicContact CG1-CD1 3.46Å; V1140-I1144 VanDerWaalsContact CG1-CD1 3.46Å; V1140-I1144 HydrophobicContact CG2-CD1 4.32Å; G1142-I1144 PolarHBondContact O-N 3.21Å; I1144-D1149 HydrophobicContact CB-CB 4.45Å; I1144-D1149 HydrophobicContact CG2-CB 3.87Å; I1144-V1150 HydrophobicContact CG2-CG2 3.85Å; I1144-M1163 HydrophobicContact CB-CG 4.33Å; I1144-M1163 HydrophobicContact CG2-CE 3.96Å; I1144-M1163 HydrophobicContact CG2-CG 4.37Å | ||
| 1145 | R | 94.8 | Very high | 95.1 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 1% | 0.011 | 4% | 0.04 | C | C | . | . | trans | -140.6 | -24.1 | -169 | -52.5 | -178.3 | -60.8 | 169.4 | 8.4 | 115 | M863 N864 F887 D1149 A1166 Y1209 | M863-R1145 PolarHBondContact O-NH1 3.23Å; M863-R1145 PolarHBondContact O-NH2 3.2Å; N864-R1145 PolarHBondContact OD1-NH1 3.35Å; N864-R1145 VanDerWaalsContact OD1-NH1 3.08Å; F887-R1145 HydrophobicContact CZ-CB 4.15Å; F887-R1145 WeakPolarHBondContact CZ-O 3.12Å; R1145-D1149 PolarHBondContact N-OD2 3.28Å; R1145-A1166 HydrophobicContact CB-CB 4.47Å; R1145-A1166 HydrophobicContact CG-CB 4.16Å; R1145-Y1209 WeakPolarHBondContact CA-OH 3.44Å; R1145-Y1209 PolarHBondContact O-OH 3.07Å | ||
| 1146 | T | 96.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.006 | 3% | 0.026 | C | C | . | . | S | Bend | trans | -122.1 | 162 | -179.6 | 64.1 | 0 | 0 | 0 | 0 | 111.1 | F887 V888 A891 D892 R1148 D1149 V1150 | F887-T1146 HydrophobicContact CE1-CG2 3.95Å; F887-T1146 HydrophobicContact CZ-CG2 4.02Å; V888-T1146 HydrophobicContact CG2-CG2 4.33Å; A891-T1146 HydrophobicContact CB-CG2 3.8Å; D892-T1146 PolarHBondContact OD1-OG1 3.45Å; T1146-R1148 PolarHBondContact O-N 3.48Å; T1146-D1149 PolarHBondContact N-OD2 2.8Å; T1146-D1149 WeakPolarHBondContact O-CB 3.47Å; T1146-D1149 PolarHBondContact O-N 3.33Å; T1146-D1149 PolarHBondContact OG1-N 3.22Å; T1146-V1150 PolarHBondContact O-N 2.87Å |
| 1147 | G | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -61.4 | -31.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V1150 V1151 E1216 | G1147-V1150 PolarHBondContact O-N 3.43Å; G1147-V1151 VanDerWaalsContact O-CG2 3.29Å; G1147-V1151 WeakPolarHBondContact O-CG2 3.33Å; G1147-V1151 PolarHBondContact O-N 2.85Å; G1147-E1216 WeakPolarHBondContact CA-OE2 3.27Å; G1147-E1216 PolarHBondContact N-OE1 2.66Å; G1147-E1216 PolarHBondContact N-OE2 2.89Å |
| 1148 | R | 97 | Very high | 96.3 | Very high | 9 Ų | 9 | 2.3 Ų | 2.3 | 3% | 0.034 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -56.4 | -48.1 | 169.4 | -175.6 | 173.5 | 178.5 | -74 | -3.8 | 113 | D892 R901 L904 F906 T1146 V1150 V1151 I1152 E1216 Y1220 | D892-R1148 WeakPolarHBondContact OD2-CD 3.46Å; R901-R1148 PolarHBondContact O-NH1 3.29Å; R901-R1148 VanDerWaalsContact O-NH1 3.14Å; R901-R1148 PolarHBondContact O-NH2 3.47Å; L904-R1148 PolarHBondContact O-NH2 2.97Å; F906-R1148 HydrophobicContact CE2-CG 3.91Å; F906-R1148 HydrophobicContact CZ-CG 4.05Å; T1146-R1148 PolarHBondContact O-N 3.48Å; R1148-V1150 VanDerWaalsContact C-N 3.31Å; R1148-V1150 PolarHBondContact O-N 2.99Å; R1148-V1151 PolarHBondContact O-N 2.89Å; R1148-I1152 HydrophobicContact CG-CD1 3.99Å; R1148-I1152 WeakPolarHBondContact O-CG1 3.45Å; R1148-I1152 PolarHBondContact O-N 2.89Å; R1148-E1216 PolarHBondContact N-OE1 3.17Å; R1148-Y1220 HydrophobicContact CB-CE2 3.99Å |
| 1149 | D | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 2.4 Ų | 2.4 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.4 | -66.6 | -40 | 0 | 0 | 0 | 110.9 | R901 I1144 R1145 T1146 I1152 A1153 | R901-D1149 VanDerWaalsContact CD-OD1 3.26Å; R901-D1149 WeakPolarHBondContact CD-OD1 3.2Å; R901-D1149 IonicContact NE-OD1 3.08Å; R901-D1149 PolarHBondContact NE-OD1 3.3Å; I1144-D1149 HydrophobicContact CB-CB 4.45Å; I1144-D1149 HydrophobicContact CG2-CB 3.87Å; R1145-D1149 PolarHBondContact N-OD2 3.28Å; T1146-D1149 PolarHBondContact N-OD2 2.8Å; T1146-D1149 WeakPolarHBondContact O-CB 3.47Å; T1146-D1149 PolarHBondContact O-N 3.33Å; T1146-D1149 PolarHBondContact OG1-N 3.22Å; D1149-I1152 PolarHBondContact O-N 3.18Å; D1149-A1153 WeakPolarHBondContact O-CB 3.47Å; D1149-A1153 PolarHBondContact O-N 3.32Å |
| 1150 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | F928 I1144 T1146 G1147 R1148 A1153 C1154 F1161 M1163 L1213 V1217 | F928-V1150 HydrophobicContact CE1-CG1 4.03Å; F928-V1150 HydrophobicContact CE1-CG2 4.09Å; F928-V1150 HydrophobicContact CZ-CG1 4.48Å; F928-V1150 HydrophobicContact CZ-CG2 4.39Å; I1144-V1150 HydrophobicContact CG2-CG2 3.85Å; T1146-V1150 PolarHBondContact O-N 2.87Å; G1147-V1150 PolarHBondContact O-N 3.43Å; R1148-V1150 VanDerWaalsContact C-N 3.31Å; R1148-V1150 PolarHBondContact O-N 2.99Å; V1150-A1153 PolarHBondContact O-N 2.91Å; V1150-C1154 WeakPolarHBondContact O-CB 3.46Å; V1150-C1154 PolarHBondContact O-N 2.94Å; V1150-F1161 HydrophobicContact CB-CD1 4.48Å; V1150-F1161 HydrophobicContact CG1-CD1 4.11Å; V1150-F1161 HydrophobicContact CG1-CD2 3.77Å; V1150-F1161 HydrophobicContact CG1-CE1 3.94Å; V1150-F1161 HydrophobicContact CG1-CE2 3.59Å; V1150-F1161 HydrophobicContact CG1-CG 4.04Å; V1150-F1161 HydrophobicContact CG1-CZ 3.69Å; V1150-F1161 HydrophobicContact CG2-CG 4.34Å; V1150-F1161 WeakPolarHBondContact O-CE1 3.36Å; V1150-M1163 HydrophobicContact CG2-CE 3.94Å; V1150-L1213 HydrophobicContact CG2-CD2 4.48Å; V1150-V1217 HydrophobicContact CB-CG2 3.95Å; V1150-V1217 HydrophobicContact CG1-CG2 3.77Å |
| 1151 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.013 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | -178 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | F906 G1147 R1148 C1154 I1155 V1217 Y1220 L1224 I1232 | F906-V1151 HydrophobicContact CE1-CB 4.29Å; F906-V1151 HydrophobicContact CE1-CG1 3.63Å; F906-V1151 HydrophobicContact CZ-CB 4.24Å; F906-V1151 HydrophobicContact CZ-CG1 4.02Å; G1147-V1151 VanDerWaalsContact O-CG2 3.29Å; G1147-V1151 WeakPolarHBondContact O-CG2 3.33Å; G1147-V1151 PolarHBondContact O-N 2.85Å; R1148-V1151 PolarHBondContact O-N 2.89Å; V1151-C1154 WeakPolarHBondContact O-CB 3.43Å; V1151-C1154 PolarHBondContact O-N 3.34Å; V1151-I1155 HydrophobicContact CG1-CD1 3.96Å; V1151-I1155 VanDerWaalsContact O-CG1 3.32Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.36Å; V1151-I1155 PolarHBondContact O-N 3Å; V1151-V1217 HydrophobicContact CG2-CG1 4.08Å; V1151-V1217 HydrophobicContact CG2-CG2 4.43Å; V1151-Y1220 HydrophobicContact CG2-CD2 4.35Å; V1151-Y1220 HydrophobicContact CG2-CG 4.28Å; V1151-L1224 HydrophobicContact CG1-CD1 3.88Å; V1151-I1232 HydrophobicContact CG1-CD1 3.86Å |
| 1152 | I | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -61.9 | -48.1 | 174.2 | -69.5 | 173.4 | 0 | 0 | 0 | 110.5 | R901 L904 F906 W1116 R1148 D1149 C1154 I1155 L1156 L1239 | R901-I1152 HydrophobicContact CB-CD1 4.12Å; R901-I1152 HydrophobicContact CB-CG2 4.09Å; L904-I1152 HydrophobicContact CD1-CG2 4.25Å; F906-I1152 HydrophobicContact CE1-CG1 3.9Å; F906-I1152 HydrophobicContact CZ-CD1 4.3Å; F906-I1152 HydrophobicContact CZ-CG1 3.74Å; W1116-I1152 HydrophobicContact CH2-CG2 4.46Å; R1148-I1152 HydrophobicContact CG-CD1 3.99Å; R1148-I1152 WeakPolarHBondContact O-CG1 3.45Å; R1148-I1152 PolarHBondContact O-N 2.89Å; D1149-I1152 PolarHBondContact O-N 3.18Å; I1152-C1154 VanDerWaalsContact C-N 3.26Å; I1152-C1154 PolarHBondContact O-N 3.28Å; I1152-I1155 PolarHBondContact O-N 2.95Å; I1152-L1156 HydrophobicContact CG2-CD1 4.03Å; I1152-L1156 HydrophobicContact CG2-CG 4.35Å; I1152-L1156 WeakPolarHBondContact O-CG 3.35Å; I1152-L1156 PolarHBondContact O-N 3.06Å; I1152-L1239 HydrophobicContact CG1-CD2 4.14Å |
| 1153 | A | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W1116 V1140 D1149 V1150 L1156 G1157 A1158 F1161 | W1116-A1153 HydrophobicContact CH2-CB 3.74Å; W1116-A1153 HydrophobicContact CZ3-CB 3.7Å; V1140-A1153 HydrophobicContact CG1-CB 3.66Å; D1149-A1153 WeakPolarHBondContact O-CB 3.47Å; D1149-A1153 PolarHBondContact O-N 3.32Å; V1150-A1153 PolarHBondContact O-N 2.91Å; A1153-L1156 PolarHBondContact O-N 3.17Å; A1153-G1157 PolarHBondContact O-N 3.36Å; A1153-A1158 HydrophobicContact CB-CB 4.28Å; A1153-A1158 VanDerWaalsContact O-CB 3.29Å; A1153-A1158 WeakPolarHBondContact O-CB 3.24Å; A1153-A1158 PolarHBondContact O-N 2.6Å; A1153-F1161 HydrophobicContact CB-CD1 3.97Å; A1153-F1161 HydrophobicContact CB-CE1 3.65Å |
| 1154 | C | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 2.7 Ų | 2.7 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 174.6 | -159.2 | 0 | 0 | 0 | 0 | 111 | V1150 V1151 I1152 L1156 G1157 A1158 F1161 L1229 I1232 V1233 G1234 | V1150-C1154 WeakPolarHBondContact O-CB 3.46Å; V1150-C1154 PolarHBondContact O-N 2.94Å; V1151-C1154 WeakPolarHBondContact O-CB 3.43Å; V1151-C1154 PolarHBondContact O-N 3.34Å; I1152-C1154 VanDerWaalsContact C-N 3.26Å; I1152-C1154 PolarHBondContact O-N 3.28Å; C1154-L1156 PolarHBondContact O-N 2.91Å; C1154-G1157 WeakPolarHBondContact O-CA 3.4Å; C1154-G1157 PolarHBondContact O-N 2.81Å; C1154-A1158 WeakPolarHBondContact CA-O 3.48Å; C1154-F1161 HydrophobicContact CB-CE1 4.39Å; C1154-F1161 HydrophobicContact CB-CZ 3.92Å; C1154-L1229 HydrophobicContact CB-CD2 4.12Å; C1154-L1229 PolarHBondContact SG-O 3.26Å; C1154-I1232 HydrophobicContact CB-CD1 4.09Å; C1154-I1232 HydrophobicContact CB-CG1 4.27Å; C1154-V1233 WeakPolarHBondContact O-CA 3.45Å; C1154-V1233 VanDerWaalsContact SG-CG2 3.59Å; C1154-G1234 PolarHBondContact O-N 3.42Å |
| 1155 | I | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | 178.8 | -66.3 | 164 | 0 | 0 | 0 | 112.1 | F906 V1151 I1152 G1157 I1232 G1234 R1235 T1236 L1239 | F906-I1155 HydrophobicContact CD1-CD1 4.08Å; F906-I1155 HydrophobicContact CE1-CD1 3.91Å; V1151-I1155 HydrophobicContact CG1-CD1 3.96Å; V1151-I1155 VanDerWaalsContact O-CG1 3.32Å; V1151-I1155 WeakPolarHBondContact O-CG1 3.36Å; V1151-I1155 PolarHBondContact O-N 3Å; I1152-I1155 PolarHBondContact O-N 2.95Å; I1155-G1157 PolarHBondContact O-N 2.85Å; I1155-I1232 WeakPolarHBondContact CA-O 3.34Å; I1155-I1232 HydrophobicContact CG1-CB 4.21Å; I1155-I1232 HydrophobicContact CG1-CD1 4.08Å; I1155-I1232 HydrophobicContact CG1-CG1 4.49Å; I1155-G1234 CarbonylContact O-C 3.54Å; I1155-G1234 WeakPolarHBondContact O-CA 3.47Å; I1155-G1234 PolarHBondContact O-N 2.81Å; I1155-R1235 WeakPolarHBondContact CG2-O 3.4Å; I1155-R1235 PolarHBondContact O-N 3.26Å; I1155-T1236 HydrophobicContact CG2-CG2 4.46Å; I1155-L1239 HydrophobicContact CB-CD1 4.02Å; I1155-L1239 HydrophobicContact CB-CG 4.26Å; I1155-L1239 HydrophobicContact CD1-CD2 3.96Å; I1155-L1239 HydrophobicContact CD1-CG 4.08Å; I1155-L1239 HydrophobicContact CG2-CD1 3.47Å; I1155-L1239 VanDerWaalsContact CG2-CD1 3.47Å; I1155-L1239 HydrophobicContact CG2-CG 3.64Å |
| 1156 | L | 95.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 2.9 Ų | 2.9 | 1% | 0.01 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -8.2 | 175.2 | -61.9 | -179.8 | 0 | 0 | 0 | 113.9 | W1116 E1117 I1120 A1121 I1152 A1153 C1154 T1236 L1239 L1258 | W1116-L1156 HydrophobicContact CZ3-CD1 4.19Å; E1117-L1156 HydrophobicContact CB-CD1 4.03Å; E1117-L1156 HydrophobicContact CG-CD1 4.26Å; I1120-L1156 HydrophobicContact CG2-CB 3.73Å; I1120-L1156 HydrophobicContact CG2-CD1 4.25Å; A1121-L1156 HydrophobicContact CB-CB 4.47Å; A1121-L1156 HydrophobicContact CB-CD2 4.5Å; I1152-L1156 HydrophobicContact CG2-CD1 4.03Å; I1152-L1156 HydrophobicContact CG2-CG 4.35Å; I1152-L1156 WeakPolarHBondContact O-CG 3.35Å; I1152-L1156 PolarHBondContact O-N 3.06Å; A1153-L1156 PolarHBondContact O-N 3.17Å; C1154-L1156 PolarHBondContact O-N 2.91Å; L1156-T1236 HydrophobicContact CD2-CG2 4.45Å; L1156-L1239 HydrophobicContact CD2-CD1 3.89Å; L1156-L1239 HydrophobicContact CG-CD1 4.38Å; L1156-L1258 HydrophobicContact CD1-CD2 4.01Å; L1156-L1258 HydrophobicContact CD1-CG 4.45Å; L1156-L1258 HydrophobicContact CD2-CD2 3.52Å; L1156-L1258 HydrophobicContact CD2-CG 3.85Å; L1156-L1258 HydrophobicContact CG-CD2 4.42Å |
| 1157 | G | 93.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 2.9 Ų | 2.9 | 0% | 0 | 2% | 0.018 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 124.6 | 4.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | R1133 A1153 C1154 I1155 | R1133-G1157 PolarHBondContact NH2-O 3.07Å; A1153-G1157 PolarHBondContact O-N 3.36Å; C1154-G1157 WeakPolarHBondContact O-CA 3.4Å; C1154-G1157 PolarHBondContact O-N 2.81Å; I1155-G1157 PolarHBondContact O-N 2.85Å |
| 1158 | A | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 3.7 Ų | 3.7 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | -76.4 | 142.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I1120 V1140 A1153 C1154 F1161 | I1120-A1158 HydrophobicContact CD1-CB 4.19Å; I1120-A1158 HydrophobicContact CG1-CB 4.09Å; V1140-A1158 HydrophobicContact CB-CB 4.29Å; V1140-A1158 HydrophobicContact CG1-CB 3.78Å; A1153-A1158 HydrophobicContact CB-CB 4.28Å; A1153-A1158 VanDerWaalsContact O-CB 3.29Å; A1153-A1158 WeakPolarHBondContact O-CB 3.24Å; A1153-A1158 PolarHBondContact O-N 2.6Å; C1154-A1158 WeakPolarHBondContact CA-O 3.48Å; A1158-F1161 HydrophobicContact CB-CE1 3.93Å | ||
| 1159 | D | 94.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 3.3 Ų | 3.3 | 1% | 0.011 | 2% | 0.02 | C | C | . | . | S | Bend | trans | -98.8 | -33.1 | 174.1 | -59.2 | -65.9 | 0 | 0 | 0 | 113 | R927 R1133 K1137 L1138 Y1269 | R927-D1159 PolarHBondContact NH1-O 3.08Å; R1133-D1159 IonicContact CZ-OD2 2.67Å; R1133-D1159 IonicContact NH1-OD2 3.3Å; R1133-D1159 PolarHBondContact NH1-OD2 2.67Å; R1133-D1159 VanDerWaalsContact NH2-CG 3.26Å; R1133-D1159 IonicContact NH2-OD1 3.2Å; R1133-D1159 PolarHBondContact NH2-OD1 2.97Å; R1133-D1159 IonicContact NH2-OD2 3.17Å; R1133-D1159 PolarHBondContact NH2-OD2 3.34Å; K1137-D1159 WeakPolarHBondContact CA-OD2 3.33Å; L1138-D1159 PolarHBondContact N-OD2 3.1Å; L1138-D1159 WeakPolarHBondContact O-CA 3.43Å; L1138-D1159 WeakPolarHBondContact O-CB 3.42Å; L1138-D1159 PolarHBondContact O-N 3.44Å; D1159-Y1269 PolarHBondContact OD1-OH 2.91Å |
| 1160 | E | 96 | Very high | 96.1 | Very high | 5 Ų | 5 | 3.3 Ų | 3.3 | 2% | 0.023 | 2% | 0.02 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 157.6 | -174.1 | -64.5 | -173.8 | -175.2 | 0 | 0 | 110.9 | R927 R956 H1091 K1137 L1138 Q1139 V1140 | R927-E1160 WeakPolarHBondContact O-CA 3.42Å; R956-E1160 IonicContact CZ-OE1 3.72Å; R956-E1160 IonicContact CZ-OE2 2.81Å; R956-E1160 IonicContact NH1-OE1 2.69Å; R956-E1160 IonicContact NH1-OE2 2.89Å; R956-E1160 PolarHBondContact NH1-OE2 2.83Å; R956-E1160 IonicContact NH2-OE1 2.76Å; R956-E1160 PolarHBondContact NH2-OE1 3.47Å; R956-E1160 IonicContact NH2-OE2 3.27Å; R956-E1160 PolarHBondContact NH2-OE2 2.83Å; H1091-E1160 IonicContact NE2-OE2 3.68Å; H1091-E1160 PolarHBondContact NE2-OE2 3.34Å; K1137-E1160 IonicContact NZ-OE1 2.79Å; K1137-E1160 PolarHBondContact NZ-OE1 3.03Å; L1138-E1160 PolarHBondContact O-N 3.16Å; L1138-E1160 VanDerWaalsContact O-N 3.13Å; Q1139-E1160 VanDerWaalsContact CA-O 3.25Å; Q1139-E1160 WeakPolarHBondContact CA-O 3.19Å; Q1139-E1160 HydrophobicContact CB-CB 4.08Å; Q1139-E1160 HydrophobicContact CG-CB 4.15Å; V1140-E1160 PolarHBondContact N-O 3.44Å; V1140-E1160 VanDerWaalsContact N-O 3.13Å |
| 1161 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.021 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.5 | -171.2 | -45.1 | -86.5 | 0 | 0 | 0 | 110.5 | R927 F928 S929 V1140 V1150 A1153 C1154 A1158 M1163 L1229 | R927-F1161 HydrophobicContact CB-CD2 4.42Å; R927-F1161 PolarHBondContact O-N 2.84Å; F928-F1161 CarbonylContact C-O 3.54Å; F928-F1161 WeakPolarHBondContact CA-O 3.25Å; F928-F1161 HydrophobicContact CD1-CB 4.12Å; F928-F1161 AromaticContact CD1-CD2 3.93Å; F928-F1161 HydrophobicContact CD1-CD2 3.93Å; F928-F1161 HydrophobicContact CD1-CG 4.45Å; F928-F1161 HydrophobicContact CE1-CB 4.47Å; F928-F1161 AromaticContact CE1-CD2 3.82Å; F928-F1161 HydrophobicContact CE1-CD2 3.82Å; F928-F1161 HydrophobicContact CE1-CG 4.43Å; S929-F1161 PolarHBondContact N-O 3.22Å; V1140-F1161 HydrophobicContact CG1-CD1 3.86Å; V1140-F1161 HydrophobicContact CG1-CE1 4.42Å; V1150-F1161 HydrophobicContact CB-CD1 4.48Å; V1150-F1161 HydrophobicContact CG1-CD1 4.11Å; V1150-F1161 HydrophobicContact CG1-CD2 3.77Å; V1150-F1161 HydrophobicContact CG1-CE1 3.94Å; V1150-F1161 HydrophobicContact CG1-CE2 3.59Å; V1150-F1161 HydrophobicContact CG1-CG 4.04Å; V1150-F1161 HydrophobicContact CG1-CZ 3.69Å; V1150-F1161 HydrophobicContact CG2-CG 4.34Å; V1150-F1161 WeakPolarHBondContact O-CE1 3.36Å; A1153-F1161 HydrophobicContact CB-CD1 3.97Å; A1153-F1161 HydrophobicContact CB-CE1 3.65Å; C1154-F1161 HydrophobicContact CB-CE1 4.39Å; C1154-F1161 HydrophobicContact CB-CZ 3.92Å; A1158-F1161 HydrophobicContact CB-CE1 3.93Å; F1161-M1163 HydrophobicContact CB-CE 4.03Å; F1161-L1229 HydrophobicContact CE2-CD1 4.39Å |
| 1162 | A | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 3.6 Ų | 3.6 | 2% | 0.017 | 2% | 0.023 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S929 Q1139 V1140 D1141 | S929-A1162 CarbonylContact O-C 3.49Å; S929-A1162 VanDerWaalsContact O-CA 3.29Å; S929-A1162 WeakPolarHBondContact O-CA 3.46Å; Q1139-A1162 HydrophobicContact CG-CB 4.09Å; V1140-A1162 PolarHBondContact O-N 2.89Å; D1141-A1162 HydrophobicContact CB-CB 3.84Å; D1141-A1162 VanDerWaalsContact CB-O 3.29Å; D1141-A1162 WeakPolarHBondContact CB-O 3.35Å |
| 1163 | M | 96.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 4.4 Ų | 4.4 | 2% | 0.015 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132.1 | -176.3 | -59.4 | 163 | -158.6 | 0 | 0 | 109.9 | F928 S929 T930 G931 I1144 V1150 F1161 P1167 Y1209 L1210 L1213 | F928-M1163 HydrophobicContact CD1-CE 3.81Å; F928-M1163 HydrophobicContact CE1-CE 4.02Å; F928-M1163 HydrophobicContact CG-CE 4.1Å; F928-M1163 HydrophobicContact CZ-CE 4.47Å; S929-M1163 PolarHBondContact O-N 3.09Å; T930-M1163 VanDerWaalsContact CA-O 3.28Å; T930-M1163 WeakPolarHBondContact CA-O 3.49Å; G931-M1163 PolarHBondContact N-O 3.28Å; I1144-M1163 HydrophobicContact CB-CG 4.33Å; I1144-M1163 HydrophobicContact CG2-CE 3.96Å; I1144-M1163 HydrophobicContact CG2-CG 4.37Å; V1150-M1163 HydrophobicContact CG2-CE 3.94Å; F1161-M1163 HydrophobicContact CB-CE 4.03Å; M1163-P1167 HydrophobicContact CB-CG 3.93Å; M1163-Y1209 HydrophobicContact SD-CE1 4.24Å; M1163-L1210 HydrophobicContact SD-CD2 3.92Å; M1163-L1213 HydrophobicContact CE-CD2 3.36Å; M1163-L1213 HydrophobicContact SD-CD2 3.55Å; M1163-L1213 VanDerWaalsContact SD-CD2 3.55Å |
| 1164 | S | 93.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 4.5 Ų | 4.5 | 18% | 0.182 | 3% | 0.029 | C | C | . | . | S | Bend | trans | -121.2 | -58.9 | 179.5 | -63.4 | 0 | 0 | 0 | 0 | 112 | G931 A1166 P1167 L1168 | G931-S1164 WeakPolarHBondContact CA-OG 3.38Å; G931-S1164 PolarHBondContact N-OG 3.45Å; S1164-A1166 PolarHBondContact O-N 3.33Å; S1164-P1167 WeakPolarHBondContact O-CD 3.44Å; S1164-L1168 WeakPolarHBondContact O-CG 3.29Å; S1164-L1168 PolarHBondContact O-N 2.95Å; S1164-L1168 VanDerWaalsContact O-N 3.11Å |
| 1165 | T | 95.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 4.5 Ų | 4.5 | 5% | 0.049 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | -174.9 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | M515 Q1143 L1168 I1169 M1175 | M515-T1165 HydrophobicContact CE-CG2 3.69Å; Q1143-T1165 PolarHBondContact NE2-OG1 3.04Å; T1165-L1168 PolarHBondContact O-N 3.3Å; T1165-I1169 HydrophobicContact CG2-CD1 3.84Å; T1165-I1169 HydrophobicContact CG2-CG1 4.4Å; T1165-I1169 WeakPolarHBondContact O-CG1 3.08Å; T1165-I1169 PolarHBondContact O-N 3.26Å; T1165-M1175 HydrophobicContact CG2-SD 4.07Å |
| 1166 | A | 95.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 5.1 Ų | 5.1 | 2% | 0.017 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L872 R1145 S1164 L1168 I1169 V1170 Y1209 | L872-A1166 HydrophobicContact CD2-CB 4.14Å; R1145-A1166 HydrophobicContact CB-CB 4.47Å; R1145-A1166 HydrophobicContact CG-CB 4.16Å; S1164-A1166 PolarHBondContact O-N 3.33Å; A1166-L1168 VanDerWaalsContact C-N 3.31Å; A1166-L1168 PolarHBondContact O-N 2.92Å; A1166-I1169 WeakPolarHBondContact O-CB 3.38Å; A1166-I1169 PolarHBondContact O-N 3.1Å; A1166-I1169 VanDerWaalsContact O-N 3.09Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.36Å; A1166-V1170 PolarHBondContact O-N 3.14Å; A1166-Y1209 HydrophobicContact CB-CE1 4.2Å |
| 1167 | P | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 5.4 Ų | 5.4 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -56.4 | -39 | 170.9 | -29.5 | 36.9 | 0 | 0 | 0 | 114.3 | T930 L946 M1163 S1164 V1170 L1171 | T930-P1167 HydrophobicContact CG2-CB 4.36Å; T930-P1167 HydrophobicContact CG2-CG 4.28Å; L946-P1167 HydrophobicContact CD2-CB 3.74Å; M1163-P1167 HydrophobicContact CB-CG 3.93Å; S1164-P1167 WeakPolarHBondContact O-CD 3.44Å; P1167-V1170 PolarHBondContact O-N 2.98Å; P1167-L1171 WeakPolarHBondContact O-CG 3.27Å; P1167-L1171 PolarHBondContact O-N 2.97Å |
| 1168 | L | 97 | Very high | 95 | Very high | 17 Ų | 17 | 7.2 Ų | 7.2 | 9% | 0.089 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.6 | -38.4 | 174.6 | -68.6 | -177.8 | 0 | 0 | 0 | 112.6 | M933 I938 L946 S1164 T1165 A1166 L1171 G1172 C1173 I1188 | M933-L1168 HydrophobicContact CE-CD2 4.34Å; M933-L1168 HydrophobicContact CE-CG 4.38Å; M933-L1168 HydrophobicContact SD-CD1 3.54Å; M933-L1168 VanDerWaalsContact SD-CD1 3.54Å; M933-L1168 HydrophobicContact SD-CD2 3.91Å; M933-L1168 HydrophobicContact SD-CG 3.67Å; I938-L1168 HydrophobicContact CG2-CD2 4.25Å; L946-L1168 HydrophobicContact CD1-CD2 4.46Å; S1164-L1168 WeakPolarHBondContact O-CG 3.29Å; S1164-L1168 PolarHBondContact O-N 2.95Å; S1164-L1168 VanDerWaalsContact O-N 3.11Å; T1165-L1168 PolarHBondContact O-N 3.3Å; A1166-L1168 VanDerWaalsContact C-N 3.31Å; A1166-L1168 PolarHBondContact O-N 2.92Å; L1168-L1171 PolarHBondContact O-N 3.14Å; L1168-G1172 PolarHBondContact O-N 3.47Å; L1168-C1173 HydrophobicContact CB-CB 4.14Å; L1168-C1173 WeakPolarHBondContact O-CB 3.28Å; L1168-C1173 PolarHBondContact O-N 2.89Å; L1168-I1188 HydrophobicContact CD2-CG2 3.84Å; L1168-I1188 WeakPolarHBondContact O-CD1 3.46Å |
| 1169 | I | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 174.6 | -73.3 | 166.5 | 0 | 0 | 0 | 110.3 | I869 L872 Q873 T1165 A1166 L1171 G1172 C1173 M1175 | I869-I1169 HydrophobicContact CB-CG2 4.43Å; I869-I1169 HydrophobicContact CG1-CD1 4.2Å; I869-I1169 HydrophobicContact CG2-CG2 3.9Å; L872-I1169 HydrophobicContact CB-CG2 4.39Å; L872-I1169 HydrophobicContact CD2-CB 4.2Å; L872-I1169 HydrophobicContact CD2-CG2 3.79Å; L872-I1169 HydrophobicContact CG-CG2 4.24Å; Q873-I1169 HydrophobicContact CG-CG2 4.03Å; Q873-I1169 VanDerWaalsContact CG-O 3.26Å; Q873-I1169 WeakPolarHBondContact CG-O 3.4Å; Q873-I1169 PolarHBondContact NE2-O 3Å; T1165-I1169 HydrophobicContact CG2-CD1 3.84Å; T1165-I1169 HydrophobicContact CG2-CG1 4.4Å; T1165-I1169 WeakPolarHBondContact O-CG1 3.08Å; T1165-I1169 PolarHBondContact O-N 3.26Å; A1166-I1169 WeakPolarHBondContact O-CB 3.38Å; A1166-I1169 PolarHBondContact O-N 3.1Å; A1166-I1169 VanDerWaalsContact O-N 3.09Å; I1169-L1171 VanDerWaalsContact C-N 3.3Å; I1169-L1171 PolarHBondContact O-N 2.58Å; I1169-G1172 WeakPolarHBondContact O-CA 3.3Å; I1169-G1172 PolarHBondContact O-N 2.99Å; I1169-C1173 HydrophobicContact CG1-CB 4.32Å; I1169-C1173 PolarHBondContact O-N 3.15Å; I1169-M1175 HydrophobicContact CD1-CG 4.38Å |
| 1170 | V | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -58.4 | -41 | 176.3 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | L872 A1166 P1167 G1172 H1205 V1206 Y1209 | L872-V1170 HydrophobicContact CD1-CG2 4.05Å; L872-V1170 HydrophobicContact CD2-CG2 4.24Å; L872-V1170 HydrophobicContact CG-CG2 3.92Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.36Å; A1166-V1170 PolarHBondContact O-N 3.14Å; P1167-V1170 PolarHBondContact O-N 2.98Å; V1170-G1172 PolarHBondContact O-N 3.28Å; V1170-H1205 HydrophobicContact CG1-CB 3.53Å; V1170-H1205 VanDerWaalsContact CG1-O 3.28Å; V1170-H1205 WeakPolarHBondContact CG1-O 3.28Å; V1170-V1206 HydrophobicContact CG1-CG2 4.05Å; V1170-Y1209 HydrophobicContact CG2-CD1 4.24Å; V1170-Y1209 HydrophobicContact CG2-CD2 4.35Å; V1170-Y1209 HydrophobicContact CG2-CG 3.89Å |
| 1171 | L | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 11.4 Ų | 11.4 | 2% | 0.016 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.1 | -12.4 | 173.4 | -70.1 | 177.7 | 0 | 0 | 0 | 113.9 | A942 A945 L946 P1167 L1168 I1169 I1188 F1199 G1201 S1202 V1206 | A942-L1171 HydrophobicContact CB-CD1 4.5Å; A945-L1171 HydrophobicContact CB-CD1 4.43Å; A945-L1171 HydrophobicContact CB-CD2 4.09Å; L946-L1171 HydrophobicContact CD2-CD1 3.73Å; L946-L1171 HydrophobicContact CG-CD1 3.82Å; P1167-L1171 WeakPolarHBondContact O-CG 3.27Å; P1167-L1171 PolarHBondContact O-N 2.97Å; L1168-L1171 PolarHBondContact O-N 3.14Å; I1169-L1171 VanDerWaalsContact C-N 3.3Å; I1169-L1171 PolarHBondContact O-N 2.58Å; L1171-I1188 HydrophobicContact CB-CD1 4.24Å; L1171-F1199 HydrophobicContact CB-CE2 4.3Å; L1171-F1199 HydrophobicContact CD2-CZ 4.27Å; L1171-G1201 VanDerWaalsContact O-CA 3.28Å; L1171-G1201 WeakPolarHBondContact O-CA 3.36Å; L1171-S1202 WeakPolarHBondContact CD2-O 3.19Å; L1171-V1206 HydrophobicContact CD2-CG2 3.8Å; L1171-V1206 HydrophobicContact CG-CG2 3.93Å |
| 1172 | G | 93.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 12.3 Ų | 12.3 | 4% | 0.041 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 129.1 | 2.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q873 L1168 I1169 V1170 T1174 | Q873-G1172 PolarHBondContact NE2-O 2.8Å; L1168-G1172 PolarHBondContact O-N 3.47Å; I1169-G1172 WeakPolarHBondContact O-CA 3.3Å; I1169-G1172 PolarHBondContact O-N 2.99Å; V1170-G1172 PolarHBondContact O-N 3.28Å; G1172-T1174 PolarHBondContact O-N 3.1Å |
| 1173 | C | 95.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 12.5 Ų | 12.5 | 11% | 0.108 | 7% | 0.069 | C | C | . | . | trans | -60.1 | 132.1 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 110.9 | Q873 L1168 I1169 M1175 I1188 | Q873-C1173 PolarHBondContact NE2-O 3.36Å; Q873-C1173 VanDerWaalsContact NE2-O 3.14Å; L1168-C1173 HydrophobicContact CB-CB 4.14Å; L1168-C1173 WeakPolarHBondContact O-CB 3.28Å; L1168-C1173 PolarHBondContact O-N 2.89Å; I1169-C1173 HydrophobicContact CG1-CB 4.32Å; I1169-C1173 PolarHBondContact O-N 3.15Å; C1173-M1175 PolarHBondContact SG-N 3.02Å; C1173-M1175 VanDerWaalsContact SG-N 3.44Å; C1173-I1188 HydrophobicContact CB-CD1 3.91Å | ||
| 1174 | T | 93.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | trans | -108.4 | 17.1 | -179.6 | 54.4 | 0 | 0 | 0 | 0 | 113 | G1172 M1176 V1728 I1731 W1990 | G1172-T1174 PolarHBondContact O-N 3.1Å; T1174-M1176 VanDerWaalsContact C-N 3.29Å; T1174-M1176 PolarHBondContact O-N 3.45Å; T1174-V1728 HydrophobicContact CG2-CG1 4.05Å; T1174-V1728 VanDerWaalsContact OG1-CG1 3.31Å; T1174-V1728 WeakPolarHBondContact OG1-CG1 3.41Å; T1174-I1731 HydrophobicContact CG2-CD1 3.55Å; T1174-W1990 HydrophobicContact CG2-CH2 3.8Å; T1174-W1990 HydrophobicContact CG2-CZ3 4.01Å | ||
| 1175 | M | 94 | Very high | 94 | Very high | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | trans | 53.3 | 42.4 | 179.2 | -65.7 | -64.1 | -67.8 | 0 | 0 | 113.9 | M515 N864 I869 T1165 I1169 C1173 R1177 V1671 | M515-M1175 HydrophobicContact CB-CE 4.13Å; M515-M1175 HydrophobicContact CE-CE 3.95Å; M515-M1175 HydrophobicContact CE-SD 3.58Å; M515-M1175 VanDerWaalsContact CE-SD 3.58Å; M515-M1175 HydrophobicContact CG-CE 4.05Å; M515-M1175 HydrophobicContact CG-SD 4.27Å; M515-M1175 HydrophobicContact SD-SD 4.35Å; N864-M1175 HydrophobicContact CB-CE 3.95Å; N864-M1175 HydrophobicContact CB-CG 4.04Å; N864-M1175 HydrophobicContact CB-SD 4.49Å; I869-M1175 HydrophobicContact CD1-CB 3.77Å; I869-M1175 HydrophobicContact CD1-CG 3.52Å; I869-M1175 HydrophobicContact CG1-CG 4.26Å; T1165-M1175 HydrophobicContact CG2-SD 4.07Å; I1169-M1175 HydrophobicContact CD1-CG 4.38Å; C1173-M1175 PolarHBondContact SG-N 3.02Å; C1173-M1175 VanDerWaalsContact SG-N 3.44Å; M1175-R1177 PolarHBondContact O-N 3.08Å; M1175-V1671 HydrophobicContact CB-CB 3.94Å; M1175-V1671 HydrophobicContact CB-CG2 3.45Å; M1175-V1671 VanDerWaalsContact CB-CG2 3.45Å; M1175-V1671 HydrophobicContact CG-CG2 4.45Å; M1175-V1671 PolarHBondContact O-N 3.25Å; M1175-V1671 VanDerWaalsContact O-N 3.13Å | ||
| 1176 | M | 90.7 | Very high | 94 | Very high | 13 Ų | 13 | 12 Ų | 12 | 6% | 0.064 | 7% | 0.065 | C | C | . | . | trans | -65.2 | -23 | 175.5 | -179.5 | 172.2 | 161.1 | 0 | 0 | 113.2 | T1174 K1178 P1185 M1667 C1669 G1670 | T1174-M1176 VanDerWaalsContact C-N 3.29Å; T1174-M1176 PolarHBondContact O-N 3.45Å; M1176-K1178 HydrophobicContact CE-CB 3.93Å; M1176-K1178 HydrophobicContact CE-CD 3.67Å; M1176-K1178 HydrophobicContact CE-CG 4.26Å; M1176-K1178 HydrophobicContact CG-CB 4.17Å; M1176-K1178 HydrophobicContact CG-CD 4.38Å; M1176-K1178 HydrophobicContact CG-CG 4.32Å; M1176-K1178 PolarHBondContact O-N 3.49Å; M1176-P1185 WeakPolarHBondContact SD-CD 3.27Å; M1176-P1185 HydrophobicContact SD-CG 3.87Å; M1176-M1667 HydrophobicContact CE-CB 3.62Å; M1176-M1667 HydrophobicContact CE-CG 4.04Å; M1176-M1667 HydrophobicContact CE-SD 4.02Å; M1176-M1667 HydrophobicContact SD-CB 4.09Å; M1176-M1667 HydrophobicContact SD-CE 4.23Å; M1176-M1667 HydrophobicContact SD-CG 4.45Å; M1176-M1667 HydrophobicContact SD-SD 3.79Å; M1176-C1669 HydrophobicContact CG-CB 4.48Å; M1176-G1670 PolarHBondContact O-N 3.4Å | ||
| 1177 | R | 93.2 | Very high | 93.9 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 3% | 0.03 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 57.5 | 29.4 | 179.6 | -58 | 179.3 | -166.3 | -139.3 | -8.7 | 115.1 | S514 M515 D518 Y853 M1175 | S514-R1177 PolarHBondContact OG-O 2.73Å; M515-R1177 HydrophobicContact CB-CG 4.2Å; M515-R1177 HydrophobicContact CG-CG 3.97Å; D518-R1177 IonicContact OD1-CZ 2.66Å; D518-R1177 IonicContact OD1-NH1 3.04Å; D518-R1177 PolarHBondContact OD1-NH1 3.33Å; D518-R1177 IonicContact OD1-NH2 2.78Å; D518-R1177 PolarHBondContact OD1-NH2 3.02Å; D518-R1177 IonicContact OD2-CZ 2.64Å; D518-R1177 IonicContact OD2-NH2 3.63Å; D518-R1177 PolarHBondContact OD2-NH2 3.46Å; Y853-R1177 PolarHBondContact O-NH1 2.84Å; M1175-R1177 PolarHBondContact O-N 3.08Å |
| 1178 | K | 91.9 | Very high | 93.9 | Very high | 38 Ų | 38 | 12 Ų | 12 | 17% | 0.165 | 7% | 0.065 | C | C | . | . | trans | -119.8 | 33 | 175 | -66.4 | -178.6 | 176.5 | -178 | 0 | 111.8 | M1176 H1180 L1181 M1667 D1668 | M1176-K1178 HydrophobicContact CE-CB 3.93Å; M1176-K1178 HydrophobicContact CE-CD 3.67Å; M1176-K1178 HydrophobicContact CE-CG 4.26Å; M1176-K1178 HydrophobicContact CG-CB 4.17Å; M1176-K1178 HydrophobicContact CG-CD 4.38Å; M1176-K1178 HydrophobicContact CG-CG 4.32Å; M1176-K1178 PolarHBondContact O-N 3.49Å; K1178-H1180 PolarHBondContact O-N 3.34Å; K1178-L1181 HydrophobicContact CB-CB 4.44Å; K1178-L1181 HydrophobicContact CB-CD1 4.13Å; K1178-L1181 HydrophobicContact CB-CG 4.4Å; K1178-L1181 HydrophobicContact CD-CD1 4.08Å; K1178-L1181 HydrophobicContact CG-CD1 4.1Å; K1178-L1181 PolarHBondContact O-N 3.15Å; K1178-L1181 VanDerWaalsContact O-N 3.07Å; K1178-M1667 PolarHBondContact NZ-O 3.44Å; K1178-D1668 WeakPolarHBondContact CE-O 3.31Å; K1178-D1668 VanDerWaalsContact NZ-CB 3.28Å; K1178-D1668 PolarHBondContact NZ-O 3.13Å; K1178-D1668 IonicContact NZ-OD2 2.86Å; K1178-D1668 PolarHBondContact NZ-OD2 2.93Å | ||
| 1179 | C | 95.2 | Very high | 93.8 | Very high | 16 Ų | 16 | 11.6 Ų | 11.6 | 11% | 0.108 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -60.3 | -32.6 | -178.9 | -50.4 | 0 | 0 | 0 | 0 | 111.7 | S514 K1019 G1102 A1189 | S514-C1179 PolarHBondContact OG-N 2.69Å; S514-C1179 VanDerWaalsContact OG-N 3.11Å; K1019-C1179 PolarHBondContact NZ-O 2.9Å; G1102-C1179 CarbonylContact O-C 3.5Å; G1102-C1179 WeakPolarHBondContact O-CB 3.25Å; C1179-A1189 HydrophobicContact CB-CB 3.8Å |
| 1180 | H | 93 | Very high | 93.8 | Very high | 22 Ų | 22 | 11.6 Ų | 11.6 | 10% | 0.102 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -71.3 | -27 | 177.7 | 59.9 | -82.4 | 0 | 0 | 0 | 112.5 | L512 G513 S514 Y1018 G1102 A1103 K1178 N1182 | L512-H1180 PolarHBondContact O-NE2 3.47Å; G513-H1180 PolarHBondContact O-ND1 3.29Å; S514-H1180 PolarHBondContact OG-ND1 3.38Å; Y1018-H1180 WeakPolarHBondContact CE2-O 3.18Å; Y1018-H1180 VanDerWaalsContact CZ-O 3.3Å; Y1018-H1180 PolarHBondContact OH-O 3.01Å; G1102-H1180 WeakPolarHBondContact O-CA 3.49Å; G1102-H1180 PolarHBondContact O-N 3.25Å; G1102-H1180 VanDerWaalsContact O-N 3.17Å; A1103-H1180 HydrophobicContact CB-CB 3.81Å; K1178-H1180 PolarHBondContact O-N 3.34Å; H1180-N1182 VanDerWaalsContact C-N 3.29Å; H1180-N1182 PolarHBondContact O-N 2.58Å |
| 1181 | L | 92 | Very high | 93.8 | Very high | 56 Ų | 56 | 11.7 Ų | 11.7 | 29% | 0.293 | 7% | 0.065 | S | C | . | . | G | 310 helix | trans | -83.1 | 0.8 | -177.5 | -60.8 | -177.5 | 0 | 0 | 0 | 114.4 | K1178 T1183 | K1178-L1181 HydrophobicContact CB-CB 4.44Å; K1178-L1181 HydrophobicContact CB-CD1 4.13Å; K1178-L1181 HydrophobicContact CB-CG 4.4Å; K1178-L1181 HydrophobicContact CD-CD1 4.08Å; K1178-L1181 HydrophobicContact CG-CD1 4.1Å; K1178-L1181 PolarHBondContact O-N 3.15Å; K1178-L1181 VanDerWaalsContact O-N 3.07Å; L1181-T1183 PolarHBondContact O-N 2.8Å |
| 1182 | N | 94.3 | Very high | 93.7 | Very high | 19 Ų | 19 | 12.3 Ų | 12.3 | 10% | 0.102 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 19.1 | -176.3 | -157.9 | 27.3 | 0 | 0 | 0 | 114.8 | Y1018 K1019 H1180 T1190 Q1191 | Y1018-N1182 HydrophobicContact CD2-CB 3.66Å; Y1018-N1182 HydrophobicContact CE2-CB 3.73Å; Y1018-N1182 PolarHBondContact O-ND2 3.19Å; K1019-N1182 HydrophobicContact CD-CB 4.22Å; K1019-N1182 HydrophobicContact CG-CB 3.78Å; H1180-N1182 VanDerWaalsContact C-N 3.29Å; H1180-N1182 PolarHBondContact O-N 2.58Å; N1182-T1190 PolarHBondContact O-OG1 3.29Å; N1182-T1190 VanDerWaalsContact OD1-CA 3.26Å; N1182-T1190 WeakPolarHBondContact OD1-CA 3.28Å; N1182-T1190 PolarHBondContact OD1-OG1 2.93Å; N1182-Q1191 PolarHBondContact OD1-N 3.02Å |
| 1183 | T | 92.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 16.3 Ų | 16.3 | 4% | 0.037 | 9% | 0.093 | C | C | . | . | trans | -109.6 | 27.7 | -174.4 | 51.3 | 0 | 0 | 0 | 0 | 114.7 | L1181 P1185 V1623 R1624 | L1181-T1183 PolarHBondContact O-N 2.8Å; T1183-P1185 WeakPolarHBondContact O-CD 3.46Å; T1183-V1623 HydrophobicContact CG2-CG1 3.67Å; T1183-R1624 HydrophobicContact CG2-CG 4.3Å | ||
| 1184 | C | 93.7 | Very high | 93.5 | Very high | 15 Ų | 15 | 19.4 Ų | 19.4 | 10% | 0.101 | 11% | 0.111 | C | C | . | . | trans | -60.1 | 117.9 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | V1186 G1187 I1188 A1189 T1190 | C1184-V1186 VanDerWaalsContact C-N 3.25Å; C1184-V1186 PolarHBondContact O-N 3.41Å; C1184-V1186 VanDerWaalsContact SG-CG2 3.59Å; C1184-G1187 PolarHBondContact O-N 3.33Å; C1184-I1188 PolarHBondContact SG-N 3.3Å; C1184-I1188 VanDerWaalsContact SG-N 3.4Å; C1184-A1189 HydrophobicContact CB-CB 4.23Å; C1184-A1189 PolarHBondContact SG-N 3.2Å; C1184-A1189 VanDerWaalsContact SG-N 3.37Å; C1184-T1190 HydrophobicContact CB-CG2 3.91Å | ||
| 1185 | P | 89.8 | Confident | 93.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.8 | -171.5 | 27.7 | -35 | 0 | 0 | 0 | 113.6 | M1176 T1183 K1198 M1667 V1728 N1732 | M1176-P1185 WeakPolarHBondContact SD-CD 3.27Å; M1176-P1185 HydrophobicContact SD-CG 3.87Å; T1183-P1185 WeakPolarHBondContact O-CD 3.46Å; P1185-K1198 VanDerWaalsContact O-CD 3.29Å; P1185-K1198 WeakPolarHBondContact O-CD 3.41Å; P1185-M1667 HydrophobicContact CB-CE 4.04Å; P1185-M1667 HydrophobicContact CB-SD 3.63Å; P1185-M1667 HydrophobicContact CG-CE 3.88Å; P1185-M1667 HydrophobicContact CG-SD 3.79Å; P1185-V1728 HydrophobicContact CG-CG1 3.89Å; P1185-N1732 PolarHBondContact O-ND2 3.35Å |
| 1186 | V | 93.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 15.2 | -176.3 | -64.1 | 0 | 0 | 0 | 0 | 112.8 | C1184 I1188 F1199 I1731 | C1184-V1186 VanDerWaalsContact C-N 3.25Å; C1184-V1186 PolarHBondContact O-N 3.41Å; C1184-V1186 VanDerWaalsContact SG-CG2 3.59Å; V1186-I1188 VanDerWaalsContact C-N 3.28Å; V1186-I1188 HydrophobicContact CG2-CB 4.47Å; V1186-I1188 HydrophobicContact CG2-CD1 3.92Å; V1186-I1188 HydrophobicContact CG2-CG1 4.06Å; V1186-I1188 PolarHBondContact O-N 2.72Å; V1186-F1199 WeakPolarHBondContact O-CA 3.33Å; V1186-I1731 HydrophobicContact CG1-CD1 4.38Å |
| 1187 | G | 94.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 69.8 | 12.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S939 C1184 L1195 | S939-G1187 VanDerWaalsContact CB-O 3.29Å; S939-G1187 WeakPolarHBondContact CB-O 3.39Å; S939-G1187 PolarHBondContact OG-O 3Å; C1184-G1187 PolarHBondContact O-N 3.33Å; G1187-L1195 WeakPolarHBondContact CA-O 3.41Å; G1187-L1195 PolarHBondContact N-O 2.86Å |
| 1188 | I | 96.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -86.2 | -66.6 | 179.7 | -63.1 | 173.3 | 0 | 0 | 0 | 111.8 | I938 S939 A942 L1168 L1171 C1173 C1184 V1186 T1190 F1199 | I938-I1188 CarbonylContact C-O 3.53Å; I938-I1188 VanDerWaalsContact CA-O 3.29Å; I938-I1188 WeakPolarHBondContact CA-O 3.4Å; I938-I1188 HydrophobicContact CG2-CG2 4.36Å; S939-I1188 WeakPolarHBondContact CB-O 3.45Å; S939-I1188 PolarHBondContact N-O 3.06Å; S939-I1188 PolarHBondContact OG-O 2.73Å; A942-I1188 HydrophobicContact CB-CG2 4.21Å; L1168-I1188 HydrophobicContact CD2-CG2 3.84Å; L1168-I1188 WeakPolarHBondContact O-CD1 3.46Å; L1171-I1188 HydrophobicContact CB-CD1 4.24Å; C1173-I1188 HydrophobicContact CB-CD1 3.91Å; C1184-I1188 PolarHBondContact SG-N 3.3Å; C1184-I1188 VanDerWaalsContact SG-N 3.4Å; V1186-I1188 VanDerWaalsContact C-N 3.28Å; V1186-I1188 HydrophobicContact CG2-CB 4.47Å; V1186-I1188 HydrophobicContact CG2-CD1 3.92Å; V1186-I1188 HydrophobicContact CG2-CG1 4.06Å; V1186-I1188 PolarHBondContact O-N 2.72Å; I1188-T1190 PolarHBondContact O-N 3.27Å; I1188-F1199 HydrophobicContact CG1-CD2 3.88Å; I1188-F1199 HydrophobicContact CG1-CE2 3.99Å |
| 1189 | A | 96 | Very high | 93.9 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -97.6 | 51.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.3 | S937 K1019 C1179 C1184 | S937-A1189 CarbonylContact O-C 3.34Å; S937-A1189 WeakPolarHBondContact O-CA 3.31Å; K1019-A1189 PolarHBondContact NZ-O 3.18Å; C1179-A1189 HydrophobicContact CB-CB 3.8Å; C1184-A1189 HydrophobicContact CB-CB 4.23Å; C1184-A1189 PolarHBondContact SG-N 3.2Å; C1184-A1189 VanDerWaalsContact SG-N 3.37Å |
| 1190 | T | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -149.7 | 146.9 | -175.6 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | S939 N1182 C1184 I1188 D1192 L1195 R1196 | S939-T1190 WeakPolarHBondContact CB-O 3.39Å; N1182-T1190 PolarHBondContact O-OG1 3.29Å; N1182-T1190 VanDerWaalsContact OD1-CA 3.26Å; N1182-T1190 WeakPolarHBondContact OD1-CA 3.28Å; N1182-T1190 PolarHBondContact OD1-OG1 2.93Å; C1184-T1190 HydrophobicContact CB-CG2 3.91Å; I1188-T1190 PolarHBondContact O-N 3.27Å; T1190-D1192 WeakPolarHBondContact OG1-CB 3.04Å; T1190-D1192 PolarHBondContact OG1-N 3.35Å; T1190-L1195 HydrophobicContact CG2-CB 3.73Å; T1190-R1196 HydrophobicContact CG2-CG 4.26Å; T1190-R1196 WeakPolarHBondContact O-CG 3.4Å | ||
| 1191 | Q | 95.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | trans | -107.8 | 2.4 | 170.6 | -51.5 | -49.2 | -36.6 | 0 | 0 | 112.7 | G936 I938 K1019 T1021 I1024 N1182 P1193 | G936-Q1191 VanDerWaalsContact CA-NE2 3.33Å; G936-Q1191 PolarHBondContact O-NE2 2.88Å; I938-Q1191 VanDerWaalsContact C-NE2 3.33Å; I938-Q1191 PolarHBondContact O-NE2 2.66Å; K1019-Q1191 HydrophobicContact CB-CG 4.1Å; K1019-Q1191 VanDerWaalsContact O-CG 3.3Å; K1019-Q1191 WeakPolarHBondContact O-CG 3.18Å; T1021-Q1191 HydrophobicContact CG2-CB 3.74Å; I1024-Q1191 HydrophobicContact CG1-CG 4.4Å; N1182-Q1191 PolarHBondContact OD1-N 3.02Å; Q1191-P1193 WeakPolarHBondContact O-CD 3.41Å | ||
| 1192 | D | 93.6 | Very high | 93.7 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | trans | -69.5 | 122.3 | 174.6 | -175.6 | -70.2 | 0 | 0 | 0 | 110 | T1190 V1194 L1195 R1196 R1624 | T1190-D1192 WeakPolarHBondContact OG1-CB 3.04Å; T1190-D1192 PolarHBondContact OG1-N 3.35Å; D1192-V1194 VanDerWaalsContact C-N 3.27Å; D1192-V1194 PolarHBondContact O-N 2.8Å; D1192-V1194 WeakPolarHBondContact OD1-CA 3.45Å; D1192-V1194 VanDerWaalsContact OD1-CB 3.27Å; D1192-V1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-V1194 PolarHBondContact OD1-N 3.47Å; D1192-L1195 HydrophobicContact CB-CB 4.15Å; D1192-L1195 HydrophobicContact CB-CD1 4.11Å; D1192-L1195 HydrophobicContact CB-CG 4.16Å; D1192-L1195 PolarHBondContact O-N 2.79Å; D1192-L1195 VanDerWaalsContact O-N 3.1Å; D1192-L1195 PolarHBondContact OD1-N 3.03Å; D1192-R1196 WeakPolarHBondContact O-CB 3.13Å; D1192-R1196 WeakPolarHBondContact O-CG 3.41Å; D1192-R1196 PolarHBondContact O-N 2.86Å; D1192-R1624 IonicContact OD1-NH2 3.71Å; D1192-R1624 IonicContact OD2-CZ 2.77Å; D1192-R1624 IonicContact OD2-NH1 3.67Å; D1192-R1624 PolarHBondContact OD2-NH1 3.46Å; D1192-R1624 IonicContact OD2-NH2 2.88Å; D1192-R1624 PolarHBondContact OD2-NH2 2.79Å | ||
| 1193 | P | 93.5 | Very high | 93.8 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 57% | 0.571 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.5 | -32.2 | -176.2 | -25.1 | 34.3 | 0 | 0 | 0 | 114.2 | Q1191 K1197 | Q1191-P1193 WeakPolarHBondContact O-CD 3.41Å; P1193-K1197 VanDerWaalsContact O-CG 3.31Å; P1193-K1197 WeakPolarHBondContact O-CG 3.5Å; P1193-K1197 PolarHBondContact O-N 3.34Å |
| 1194 | V | 92.8 | Very high | 94 | Very high | 81 Ų | 81 | 36.3 Ų | 36.3 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.1 | -38.2 | 178.4 | -180 | 0 | 0 | 0 | 0 | 110.2 | D1192 V1627 | D1192-V1194 VanDerWaalsContact C-N 3.27Å; D1192-V1194 PolarHBondContact O-N 2.8Å; D1192-V1194 WeakPolarHBondContact OD1-CA 3.45Å; D1192-V1194 VanDerWaalsContact OD1-CB 3.27Å; D1192-V1194 WeakPolarHBondContact OD1-CB 3.4Å; D1192-V1194 PolarHBondContact OD1-N 3.47Å; V1194-V1627 HydrophobicContact CG1-CG1 4.38Å |
| 1195 | L | 93.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -81 | -35.4 | 179.3 | -60.8 | 178.7 | 0 | 0 | 0 | 112.6 | G1187 T1190 D1192 K1197 K1198 F1626 V1627 | G1187-L1195 WeakPolarHBondContact CA-O 3.41Å; G1187-L1195 PolarHBondContact N-O 2.86Å; T1190-L1195 HydrophobicContact CG2-CB 3.73Å; D1192-L1195 HydrophobicContact CB-CB 4.15Å; D1192-L1195 HydrophobicContact CB-CD1 4.11Å; D1192-L1195 HydrophobicContact CB-CG 4.16Å; D1192-L1195 PolarHBondContact O-N 2.79Å; D1192-L1195 VanDerWaalsContact O-N 3.1Å; D1192-L1195 PolarHBondContact OD1-N 3.03Å; L1195-K1197 VanDerWaalsContact C-N 3.29Å; L1195-K1197 PolarHBondContact O-N 3.28Å; L1195-K1198 HydrophobicContact CD2-CD 4.31Å; L1195-K1198 VanDerWaalsContact O-CB 3.28Å; L1195-K1198 WeakPolarHBondContact O-CB 3.36Å; L1195-K1198 PolarHBondContact O-N 3.39Å; L1195-F1626 HydrophobicContact CD1-CZ 4.46Å; L1195-F1626 HydrophobicContact CD2-CE2 3.82Å; L1195-F1626 HydrophobicContact CD2-CZ 4.24Å; L1195-V1627 HydrophobicContact CD2-CG2 3.92Å |
| 1196 | R | 95.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 37 Ų | 37 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.3 | -39.5 | 174 | -79.8 | -179.9 | 57.5 | -173.1 | -5.8 | 112.2 | E941 E1023 T1190 D1192 K1198 F1199 | E941-R1196 IonicContact OE1-CZ 3.56Å; E941-R1196 IonicContact OE1-NE 3.58Å; E941-R1196 PolarHBondContact OE1-NE 2.86Å; E941-R1196 IonicContact OE1-NH2 2.72Å; E941-R1196 PolarHBondContact OE1-NH2 2.99Å; E941-R1196 IonicContact OE2-CZ 2.82Å; E941-R1196 IonicContact OE2-NE 2.78Å; E941-R1196 PolarHBondContact OE2-NE 2.99Å; E941-R1196 IonicContact OE2-NH2 3.94Å; E941-R1196 PolarHBondContact OE2-NH2 3.28Å; E1023-R1196 IonicContact OE1-NH1 3.74Å; E1023-R1196 IonicContact OE2-NH1 2.78Å; T1190-R1196 HydrophobicContact CG2-CG 4.26Å; T1190-R1196 WeakPolarHBondContact O-CG 3.4Å; D1192-R1196 WeakPolarHBondContact O-CB 3.13Å; D1192-R1196 WeakPolarHBondContact O-CG 3.41Å; D1192-R1196 PolarHBondContact O-N 2.86Å; R1196-K1198 PolarHBondContact O-N 3.31Å; R1196-F1199 VanDerWaalsContact O-CB 3.3Å; R1196-F1199 WeakPolarHBondContact O-CB 3.47Å; R1196-F1199 PolarHBondContact O-N 3.27Å |
| 1197 | K | 94.8 | Very high | 94.6 | Very high | 184 Ų | 184 | 37.5 Ų | 37.5 | 80% | 0.8 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -16.3 | 174 | -76.7 | 176 | -177.3 | -175.4 | 0 | 114.3 | P1193 L1195 | P1193-K1197 VanDerWaalsContact O-CG 3.31Å; P1193-K1197 WeakPolarHBondContact O-CG 3.5Å; P1193-K1197 PolarHBondContact O-N 3.34Å; L1195-K1197 VanDerWaalsContact C-N 3.29Å; L1195-K1197 PolarHBondContact O-N 3.28Å |
| 1198 | K | 91.9 | Very high | 94.7 | Very high | 47 Ų | 47 | 39 Ų | 39 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 0.1 | 177.7 | -58 | -177.5 | 165.1 | -157.8 | 0 | 113.9 | P1185 L1195 R1196 A1200 N1732 | P1185-K1198 VanDerWaalsContact O-CD 3.29Å; P1185-K1198 WeakPolarHBondContact O-CD 3.41Å; L1195-K1198 HydrophobicContact CD2-CD 4.31Å; L1195-K1198 VanDerWaalsContact O-CB 3.28Å; L1195-K1198 WeakPolarHBondContact O-CB 3.36Å; L1195-K1198 PolarHBondContact O-N 3.39Å; R1196-K1198 PolarHBondContact O-N 3.31Å; K1198-A1200 PolarHBondContact O-N 3.3Å; K1198-N1732 PolarHBondContact NZ-OD1 3.25Å |
| 1199 | F | 94.9 | Very high | 94.8 | Very high | 38 Ų | 38 | 38.9 Ų | 38.9 | 17% | 0.167 | 21% | 0.214 | C | C | . | . | trans | -66.2 | 119.5 | 174.8 | 179.8 | -97.9 | 0 | 0 | 0 | 110.3 | E941 A942 A945 L1171 V1186 I1188 R1196 G1201 | E941-F1199 HydrophobicContact CB-CB 4.39Å; E941-F1199 HydrophobicContact CB-CD1 3.52Å; E941-F1199 HydrophobicContact CB-CE1 3.85Å; E941-F1199 HydrophobicContact CB-CG 3.92Å; E941-F1199 HydrophobicContact CG-CD1 4.37Å; A942-F1199 HydrophobicContact CB-CD2 4.33Å; A942-F1199 HydrophobicContact CB-CE2 3.72Å; A942-F1199 HydrophobicContact CB-CZ 4.22Å; A945-F1199 HydrophobicContact CB-CZ 4.17Å; L1171-F1199 HydrophobicContact CB-CE2 4.3Å; L1171-F1199 HydrophobicContact CD2-CZ 4.27Å; V1186-F1199 WeakPolarHBondContact O-CA 3.33Å; I1188-F1199 HydrophobicContact CG1-CD2 3.88Å; I1188-F1199 HydrophobicContact CG1-CE2 3.99Å; R1196-F1199 VanDerWaalsContact O-CB 3.3Å; R1196-F1199 WeakPolarHBondContact O-CB 3.47Å; R1196-F1199 PolarHBondContact O-N 3.27Å; F1199-G1201 WeakPolarHBondContact CE1-O 3.45Å | ||
| 1200 | A | 90.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 38.6 Ų | 38.6 | 67% | 0.669 | 21% | 0.211 | S | C | * | . | trans | -123.7 | 14.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1198 | K1198-A1200 PolarHBondContact O-N 3.3Š| ||
| 1201 | G | 91.2 | Very high | 95 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | trans | -76.7 | 147 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1171 F1199 | L1171-G1201 VanDerWaalsContact O-CA 3.28Å; L1171-G1201 WeakPolarHBondContact O-CA 3.36Å; F1199-G1201 WeakPolarHBondContact CE1-O 3.45Å | ||
| 1202 | S | 93.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 42.3 Ų | 42.3 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | trans | -124 | 153.2 | 173.6 | 111 | 0 | 0 | 0 | 0 | 111.6 | L1171 E1204 H1205 | L1171-S1202 WeakPolarHBondContact CD2-O 3.19Å; S1202-E1204 WeakPolarHBondContact CB-OE2 3.35Å; S1202-E1204 PolarHBondContact O-N 3.45Å; S1202-E1204 WeakPolarHBondContact OG-CB 3.35Å; S1202-E1204 PolarHBondContact OG-N 3.32Å; S1202-E1204 VanDerWaalsContact OG-N 3.17Å; S1202-E1204 PolarHBondContact OG-OE2 3.36Å; S1202-H1205 PolarHBondContact N-ND1 3.26Å; S1202-H1205 PolarHBondContact O-N 2.94Å | ||
| 1203 | P | 96.5 | Very high | 95.2 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55 | -36.6 | 173.4 | -21.9 | 30.2 | 0 | 0 | 0 | 113.3 | A945 R948 A949 H1205 V1206 I1207 | A945-P1203 HydrophobicContact CB-CG 4.35Å; R948-P1203 HydrophobicContact CB-CB 4.36Å; R948-P1203 HydrophobicContact CB-CG 4.18Å; R948-P1203 HydrophobicContact CG-CB 4.41Å; R948-P1203 HydrophobicContact CG-CG 4.26Å; A949-P1203 HydrophobicContact CB-CB 4.11Å; P1203-H1205 PolarHBondContact O-N 3.45Å; P1203-V1206 PolarHBondContact O-N 3.48Å; P1203-V1206 VanDerWaalsContact O-N 3.09Å; P1203-I1207 WeakPolarHBondContact O-CG1 3.04Å; P1203-I1207 PolarHBondContact O-N 2.92Å; P1203-I1207 VanDerWaalsContact O-N 3.08Å |
| 1204 | E | 96.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.9 | -35.5 | -179.8 | -66.1 | 66.4 | -146.1 | 0 | 0 | 111.8 | S1202 V1206 I1207 N1208 | S1202-E1204 WeakPolarHBondContact CB-OE2 3.35Å; S1202-E1204 PolarHBondContact O-N 3.45Å; S1202-E1204 WeakPolarHBondContact OG-CB 3.35Å; S1202-E1204 PolarHBondContact OG-N 3.32Å; S1202-E1204 VanDerWaalsContact OG-N 3.17Å; S1202-E1204 PolarHBondContact OG-OE2 3.36Å; E1204-V1206 VanDerWaalsContact C-N 3.32Å; E1204-V1206 PolarHBondContact O-N 2.71Å; E1204-I1207 PolarHBondContact O-N 3.3Å; E1204-N1208 WeakPolarHBondContact O-CB 3.44Å; E1204-N1208 PolarHBondContact O-N 3.25Å; E1204-N1208 PolarHBondContact O-ND2 2.99Å; E1204-N1208 PolarHBondContact O-OD1 3.29Å |
| 1205 | H | 96 | Very high | 95.6 | Very high | 32 Ų | 32 | 35.6 Ų | 35.6 | 15% | 0.148 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 177.2 | -53.5 | 162.6 | 0 | 0 | 0 | 111.6 | S876 V1170 S1202 P1203 Y1209 | S876-H1205 WeakPolarHBondContact CB-O 3.13Å; V1170-H1205 HydrophobicContact CG1-CB 3.53Å; V1170-H1205 VanDerWaalsContact CG1-O 3.28Å; V1170-H1205 WeakPolarHBondContact CG1-O 3.28Å; S1202-H1205 PolarHBondContact N-ND1 3.26Å; S1202-H1205 PolarHBondContact O-N 2.94Å; P1203-H1205 PolarHBondContact O-N 3.45Å; H1205-Y1209 PolarHBondContact O-N 3.45Å; H1205-Y1209 VanDerWaalsContact O-N 3.1Å |
| 1206 | V | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.3 | -41.3 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | L946 A949 V1170 L1171 P1203 E1204 Y1209 L1210 | L946-V1206 HydrophobicContact CD2-CG2 4.24Å; A949-V1206 HydrophobicContact CB-CB 3.77Å; A949-V1206 HydrophobicContact CB-CG1 3.89Å; V1170-V1206 HydrophobicContact CG1-CG2 4.05Å; L1171-V1206 HydrophobicContact CD2-CG2 3.8Å; L1171-V1206 HydrophobicContact CG-CG2 3.93Å; P1203-V1206 PolarHBondContact O-N 3.48Å; P1203-V1206 VanDerWaalsContact O-N 3.09Å; E1204-V1206 VanDerWaalsContact C-N 3.32Å; E1204-V1206 PolarHBondContact O-N 2.71Å; V1206-Y1209 PolarHBondContact O-N 2.96Å; V1206-L1210 HydrophobicContact CG1-CD1 4.01Å; V1206-L1210 HydrophobicContact CG1-CG 4.44Å; V1206-L1210 WeakPolarHBondContact O-CG 3.27Å; V1206-L1210 PolarHBondContact O-N 2.85Å |
| 1207 | I | 97.7 | Very high | 95.9 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.097 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.4 | -51 | 175.6 | -68.7 | 171.3 | 0 | 0 | 0 | 110.8 | A949 K952 L953 P1203 E1204 Y1209 L1210 F1211 | A949-I1207 HydrophobicContact CB-CG1 4.09Å; K952-I1207 HydrophobicContact CB-CD1 4.26Å; K952-I1207 HydrophobicContact CD-CD1 3.8Å; K952-I1207 HydrophobicContact CG-CD1 4.23Å; L953-I1207 HydrophobicContact CD1-CG1 4.26Å; L953-I1207 HydrophobicContact CD2-CG1 4.38Å; L953-I1207 HydrophobicContact CD2-CG2 4.01Å; L953-I1207 HydrophobicContact CG-CG1 4.11Å; P1203-I1207 WeakPolarHBondContact O-CG1 3.04Å; P1203-I1207 PolarHBondContact O-N 2.92Å; P1203-I1207 VanDerWaalsContact O-N 3.08Å; E1204-I1207 PolarHBondContact O-N 3.3Å; I1207-Y1209 PolarHBondContact O-N 2.96Å; I1207-L1210 PolarHBondContact O-N 3.32Å; I1207-F1211 HydrophobicContact CG2-CD2 3.79Å; I1207-F1211 HydrophobicContact CG2-CE2 3.9Å; I1207-F1211 WeakPolarHBondContact O-CD2 3.45Å; I1207-F1211 PolarHBondContact O-N 2.8Å |
| 1208 | N | 96.8 | Very high | 96 | Very high | 33 Ų | 33 | 27 Ų | 27 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58 | -48 | 179.2 | -66.3 | -17.3 | 0 | 0 | 0 | 111.1 | S876 N879 E1204 L1210 F1211 L1212 | S876-N1208 WeakPolarHBondContact O-CB 3.11Å; S876-N1208 PolarHBondContact O-ND2 3.5Å; N879-N1208 HydrophobicContact CB-CB 4.34Å; E1204-N1208 WeakPolarHBondContact O-CB 3.44Å; E1204-N1208 PolarHBondContact O-N 3.25Å; E1204-N1208 PolarHBondContact O-ND2 2.99Å; E1204-N1208 PolarHBondContact O-OD1 3.29Å; N1208-L1210 PolarHBondContact O-N 3.44Å; N1208-F1211 PolarHBondContact O-N 3.01Å; N1208-L1212 WeakPolarHBondContact O-CB 3.14Å; N1208-L1212 WeakPolarHBondContact O-CD1 3.35Å; N1208-L1212 VanDerWaalsContact O-CG 3.22Å; N1208-L1212 WeakPolarHBondContact O-CG 3.35Å; N1208-L1212 PolarHBondContact O-N 2.8Å |
| 1209 | Y | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57.6 | -46.8 | 177.7 | 163.8 | -110.4 | 0 | 0 | 0 | 112.6 | L872 Y884 R1145 M1163 A1166 V1170 H1205 V1206 I1207 F1211 L1212 L1213 | L872-Y1209 HydrophobicContact CD1-CD2 3.46Å; L872-Y1209 VanDerWaalsContact CD1-CD2 3.46Å; L872-Y1209 HydrophobicContact CD1-CE2 3.63Å; L872-Y1209 HydrophobicContact CD1-CG 4.39Å; Y884-Y1209 HydrophobicContact CE2-CD2 4.01Å; Y884-Y1209 HydrophobicContact CE2-CE2 4.13Å; R1145-Y1209 WeakPolarHBondContact CA-OH 3.44Å; R1145-Y1209 PolarHBondContact O-OH 3.07Å; M1163-Y1209 HydrophobicContact SD-CE1 4.24Å; A1166-Y1209 HydrophobicContact CB-CE1 4.2Å; V1170-Y1209 HydrophobicContact CG2-CD1 4.24Å; V1170-Y1209 HydrophobicContact CG2-CD2 4.35Å; V1170-Y1209 HydrophobicContact CG2-CG 3.89Å; H1205-Y1209 PolarHBondContact O-N 3.45Å; H1205-Y1209 VanDerWaalsContact O-N 3.1Å; V1206-Y1209 PolarHBondContact O-N 2.96Å; I1207-Y1209 PolarHBondContact O-N 2.96Å; Y1209-F1211 PolarHBondContact O-N 2.53Å; Y1209-L1212 PolarHBondContact O-N 3.2Å; Y1209-L1213 HydrophobicContact CE1-CD2 4.43Å; Y1209-L1213 VanDerWaalsContact O-CB 3.29Å; Y1209-L1213 WeakPolarHBondContact O-CB 3.36Å; Y1209-L1213 PolarHBondContact O-N 3.32Å |
| 1210 | L | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 28.2 Ų | 28.2 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -32.3 | -177.4 | -68 | 176.5 | 0 | 0 | 0 | 112.7 | V925 F928 M950 L953 M1163 V1206 I1207 N1208 L1213 A1214 | V925-L1210 HydrophobicContact CG1-CB 4.41Å; F928-L1210 HydrophobicContact CB-CD2 4.41Å; F928-L1210 HydrophobicContact CD2-CB 4.35Å; F928-L1210 HydrophobicContact CD2-CD2 3.92Å; F928-L1210 HydrophobicContact CG-CD2 4.47Å; M950-L1210 HydrophobicContact CE-CD1 3.99Å; M950-L1210 HydrophobicContact SD-CD1 3.51Å; M950-L1210 VanDerWaalsContact SD-CD1 3.51Å; L953-L1210 HydrophobicContact CD1-CB 4.05Å; L953-L1210 HydrophobicContact CD1-CD1 3.44Å; L953-L1210 VanDerWaalsContact CD1-CD1 3.44Å; L953-L1210 HydrophobicContact CD1-CG 4.36Å; M1163-L1210 HydrophobicContact SD-CD2 3.92Å; V1206-L1210 HydrophobicContact CG1-CD1 4.01Å; V1206-L1210 HydrophobicContact CG1-CG 4.44Å; V1206-L1210 WeakPolarHBondContact O-CG 3.27Å; V1206-L1210 PolarHBondContact O-N 2.85Å; I1207-L1210 PolarHBondContact O-N 3.32Å; N1208-L1210 PolarHBondContact O-N 3.44Å; L1210-L1213 HydrophobicContact CD2-CD2 4.2Å; L1210-A1214 WeakPolarHBondContact O-CB 3.35Å; L1210-A1214 PolarHBondContact O-N 3.42Å |
| 1211 | F | 97.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 24.4 Ų | 24.4 | 33% | 0.329 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -70.2 | -42.4 | 171.7 | -87.6 | -64.9 | 0 | 0 | 0 | 112.7 | A921 V922 V925 L953 I1207 N1208 Y1209 L1213 A1214 E1215 | A921-F1211 HydrophobicContact CB-CD1 4.1Å; A921-F1211 HydrophobicContact CB-CE1 4.46Å; V922-F1211 HydrophobicContact CG2-CE1 4.04Å; V922-F1211 HydrophobicContact CG2-CZ 4.43Å; V925-F1211 HydrophobicContact CG1-CD1 4.24Å; V925-F1211 HydrophobicContact CG1-CE1 4.37Å; V925-F1211 HydrophobicContact CG2-CE1 4.39Å; L953-F1211 HydrophobicContact CD2-CD2 3.82Å; L953-F1211 HydrophobicContact CD2-CE2 3.24Å; L953-F1211 HydrophobicContact CD2-CZ 3.76Å; I1207-F1211 HydrophobicContact CG2-CD2 3.79Å; I1207-F1211 HydrophobicContact CG2-CE2 3.9Å; I1207-F1211 WeakPolarHBondContact O-CD2 3.45Å; I1207-F1211 PolarHBondContact O-N 2.8Å; N1208-F1211 PolarHBondContact O-N 3.01Å; Y1209-F1211 PolarHBondContact O-N 2.53Å; F1211-L1213 VanDerWaalsContact C-N 3.28Å; F1211-L1213 PolarHBondContact O-N 3.25Å; F1211-A1214 PolarHBondContact O-N 3.5Å; F1211-E1215 WeakPolarHBondContact O-CB 3.48Å; F1211-E1215 PolarHBondContact O-N 2.99Å |
| 1212 | L | 97.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.026 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 174.2 | -70.6 | 164.7 | 0 | 0 | 0 | 111 | A875 Y884 N1208 Y1209 E1215 E1216 | A875-L1212 HydrophobicContact CB-CD1 4.44Å; Y884-L1212 HydrophobicContact CD1-CB 4.1Å; Y884-L1212 HydrophobicContact CD2-CB 3.68Å; Y884-L1212 HydrophobicContact CD2-CD1 3.98Å; Y884-L1212 HydrophobicContact CD2-CG 4.38Å; Y884-L1212 HydrophobicContact CE1-CB 4.26Å; Y884-L1212 HydrophobicContact CE2-CB 3.86Å; Y884-L1212 HydrophobicContact CG-CB 3.81Å; Y884-L1212 HydrophobicContact CG-CD1 4.22Å; Y884-L1212 HydrophobicContact CG-CD2 4.43Å; Y884-L1212 HydrophobicContact CG-CG 4.38Å; N1208-L1212 WeakPolarHBondContact O-CB 3.14Å; N1208-L1212 WeakPolarHBondContact O-CD1 3.35Å; N1208-L1212 VanDerWaalsContact O-CG 3.22Å; N1208-L1212 WeakPolarHBondContact O-CG 3.35Å; N1208-L1212 PolarHBondContact O-N 2.8Å; Y1209-L1212 PolarHBondContact O-N 3.2Å; L1212-E1215 PolarHBondContact O-N 2.81Å; L1212-E1216 PolarHBondContact O-N 3.48Å; L1212-E1216 VanDerWaalsContact O-N 3.08Å |
| 1213 | L | 97.1 | Very high | 97 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 174.5 | -179.4 | 70.5 | 0 | 0 | 0 | 112.7 | Y884 F928 V1150 M1163 Y1209 L1210 F1211 E1215 E1216 V1217 | Y884-L1213 VanDerWaalsContact OH-CA 3.22Å; Y884-L1213 WeakPolarHBondContact OH-CA 3.43Å; Y884-L1213 VanDerWaalsContact OH-CD1 3.25Å; Y884-L1213 WeakPolarHBondContact OH-CD1 3.35Å; F928-L1213 HydrophobicContact CD2-CD2 4.32Å; F928-L1213 HydrophobicContact CE2-CB 4.48Å; F928-L1213 HydrophobicContact CE2-CD2 3.8Å; F928-L1213 HydrophobicContact CE2-CG 4.1Å; F928-L1213 HydrophobicContact CZ-CD2 3.97Å; F928-L1213 HydrophobicContact CZ-CG 4.15Å; V1150-L1213 HydrophobicContact CG2-CD2 4.48Å; M1163-L1213 HydrophobicContact CE-CD2 3.36Å; M1163-L1213 HydrophobicContact SD-CD2 3.55Å; M1163-L1213 VanDerWaalsContact SD-CD2 3.55Å; Y1209-L1213 HydrophobicContact CE1-CD2 4.43Å; Y1209-L1213 VanDerWaalsContact O-CB 3.29Å; Y1209-L1213 WeakPolarHBondContact O-CB 3.36Å; Y1209-L1213 PolarHBondContact O-N 3.32Å; L1210-L1213 HydrophobicContact CD2-CD2 4.2Å; F1211-L1213 VanDerWaalsContact C-N 3.28Å; F1211-L1213 PolarHBondContact O-N 3.25Å; L1213-E1215 VanDerWaalsContact C-N 3.3Å; L1213-E1215 PolarHBondContact O-N 3.37Å; L1213-E1216 WeakPolarHBondContact O-CB 3.15Å; L1213-E1216 PolarHBondContact O-N 2.84Å; L1213-V1217 WeakPolarHBondContact O-CG2 3.46Å; L1213-V1217 PolarHBondContact O-N 3.23Å |
| 1214 | A | 97 | Very high | 97 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A921 I924 V925 F928 L1210 F1211 V1217 R1218 | A921-A1214 HydrophobicContact CB-CB 3.89Å; I924-A1214 HydrophobicContact CB-CB 4.05Å; I924-A1214 HydrophobicContact CG2-CB 3.78Å; V925-A1214 HydrophobicContact CG1-CB 3.69Å; F928-A1214 HydrophobicContact CE2-CB 4.12Å; L1210-A1214 WeakPolarHBondContact O-CB 3.35Å; L1210-A1214 PolarHBondContact O-N 3.42Å; F1211-A1214 PolarHBondContact O-N 3.5Å; A1214-V1217 WeakPolarHBondContact O-CB 3.12Å; A1214-V1217 PolarHBondContact O-N 3.38Å; A1214-R1218 WeakPolarHBondContact O-CG 3.33Å; A1214-R1218 PolarHBondContact O-N 2.78Å |
| 1215 | E | 96.6 | Very high | 96.9 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 21% | 0.206 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -37.1 | 176.3 | -166.1 | 58.7 | -154.2 | 0 | 0 | 112 | F1211 L1212 L1213 V1217 R1218 Q1219 | F1211-E1215 WeakPolarHBondContact O-CB 3.48Å; F1211-E1215 PolarHBondContact O-N 2.99Å; L1212-E1215 PolarHBondContact O-N 2.81Å; L1213-E1215 VanDerWaalsContact C-N 3.3Å; L1213-E1215 PolarHBondContact O-N 3.37Å; E1215-V1217 VanDerWaalsContact C-N 3.34Å; E1215-V1217 PolarHBondContact O-N 2.64Å; E1215-R1218 VanDerWaalsContact CD-NH1 3.27Å; E1215-R1218 PolarHBondContact O-N 3.24Å; E1215-R1218 IonicContact OE1-CZ 2.79Å; E1215-R1218 IonicContact OE1-NH1 2.75Å; E1215-R1218 PolarHBondContact OE1-NH1 3.08Å; E1215-R1218 WeakPolarHBondContact OE2-CD 3.41Å; E1215-R1218 IonicContact OE2-CZ 3.6Å; E1215-R1218 IonicContact OE2-NH1 2.72Å; E1215-R1218 PolarHBondContact OE2-NH1 3.37Å; E1215-Q1219 WeakPolarHBondContact O-CG 3.3Å; E1215-Q1219 PolarHBondContact O-N 2.84Å |
| 1216 | E | 96.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 23.8 Ų | 23.8 | 5% | 0.051 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 171.1 | -168.4 | -166.4 | 161.7 | 0 | 0 | 111.4 | Y884 V888 G1147 R1148 L1212 L1213 R1218 Q1219 Y1220 | Y884-E1216 HydrophobicContact CE1-CB 4.14Å; Y884-E1216 WeakPolarHBondContact CE1-OE2 3.42Å; Y884-E1216 PolarHBondContact OH-OE2 3Å; Y884-E1216 VanDerWaalsContact OH-OE2 3.09Å; V888-E1216 WeakPolarHBondContact CG1-OE1 3.2Å; V888-E1216 WeakPolarHBondContact CG2-OE2 3.46Å; G1147-E1216 WeakPolarHBondContact CA-OE2 3.27Å; G1147-E1216 PolarHBondContact N-OE1 2.66Å; G1147-E1216 PolarHBondContact N-OE2 2.89Å; R1148-E1216 PolarHBondContact N-OE1 3.17Å; L1212-E1216 PolarHBondContact O-N 3.48Å; L1212-E1216 VanDerWaalsContact O-N 3.08Å; L1213-E1216 WeakPolarHBondContact O-CB 3.15Å; L1213-E1216 PolarHBondContact O-N 2.84Å; E1216-R1218 VanDerWaalsContact C-N 3.32Å; E1216-R1218 PolarHBondContact O-N 3.26Å; E1216-Q1219 WeakPolarHBondContact O-CB 3.41Å; E1216-Q1219 PolarHBondContact O-N 3.49Å; E1216-Q1219 VanDerWaalsContact O-N 3.17Å; E1216-Y1220 HydrophobicContact CG-CD2 4.22Å; E1216-Y1220 HydrophobicContact CG-CE2 3.84Å; E1216-Y1220 VanDerWaalsContact O-CD2 3.31Å; E1216-Y1220 WeakPolarHBondContact O-CD2 3.08Å; E1216-Y1220 PolarHBondContact O-N 3.03Å; E1216-Y1220 VanDerWaalsContact O-N 3.14Å; E1216-Y1220 WeakPolarHBondContact OE1-CE2 3.42Å |
| 1217 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | I924 V1150 V1151 L1213 A1214 E1215 Q1219 Y1220 L1221 L1229 | I924-V1217 HydrophobicContact CD1-CB 4.39Å; I924-V1217 HydrophobicContact CD1-CG1 4.05Å; I924-V1217 HydrophobicContact CG2-CB 4.44Å; I924-V1217 HydrophobicContact CG2-CG1 4.33Å; V1150-V1217 HydrophobicContact CB-CG2 3.95Å; V1150-V1217 HydrophobicContact CG1-CG2 3.77Å; V1151-V1217 HydrophobicContact CG2-CG1 4.08Å; V1151-V1217 HydrophobicContact CG2-CG2 4.43Å; L1213-V1217 WeakPolarHBondContact O-CG2 3.46Å; L1213-V1217 PolarHBondContact O-N 3.23Å; A1214-V1217 WeakPolarHBondContact O-CB 3.12Å; A1214-V1217 PolarHBondContact O-N 3.38Å; E1215-V1217 VanDerWaalsContact C-N 3.34Å; E1215-V1217 PolarHBondContact O-N 2.64Å; V1217-Q1219 VanDerWaalsContact C-N 3.27Å; V1217-Q1219 PolarHBondContact O-N 3.49Å; V1217-Y1220 PolarHBondContact O-N 3.47Å; V1217-Y1220 VanDerWaalsContact O-N 3.12Å; V1217-L1221 HydrophobicContact CG1-CD1 4.21Å; V1217-L1221 HydrophobicContact CG1-CG 4.36Å; V1217-L1221 WeakPolarHBondContact O-CG 3.42Å; V1217-L1221 PolarHBondContact O-N 3.25Å; V1217-L1229 HydrophobicContact CG1-CD1 4.1Å; V1217-L1229 HydrophobicContact CG1-CD2 3.76Å; V1217-L1229 HydrophobicContact CG1-CG 3.98Å |
| 1218 | R | 97.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 13% | 0.125 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.3 | -39 | 177.5 | -67.3 | 176.6 | 70 | -133.2 | -5.1 | 112.4 | L915 V918 E919 I924 A1214 E1215 E1216 L1221 S1222 | L915-R1218 HydrophobicContact CD2-CB 3.96Å; L915-R1218 WeakPolarHBondContact CD2-O 3.48Å; L915-R1218 PolarHBondContact O-NH2 2.87Å; V918-R1218 HydrophobicContact CG1-CB 4.06Å; V918-R1218 HydrophobicContact CG1-CG 4.07Å; E919-R1218 VanDerWaalsContact O-CD 3.31Å; E919-R1218 WeakPolarHBondContact O-CD 3.22Å; E919-R1218 WeakPolarHBondContact O-CG 3.5Å; E919-R1218 PolarHBondContact O-NE 2.9Å; I924-R1218 HydrophobicContact CD1-CG 3.4Å; I924-R1218 VanDerWaalsContact CD1-CG 3.4Å; A1214-R1218 WeakPolarHBondContact O-CG 3.33Å; A1214-R1218 PolarHBondContact O-N 2.78Å; E1215-R1218 VanDerWaalsContact CD-NH1 3.27Å; E1215-R1218 PolarHBondContact O-N 3.24Å; E1215-R1218 IonicContact OE1-CZ 2.79Å; E1215-R1218 IonicContact OE1-NH1 2.75Å; E1215-R1218 PolarHBondContact OE1-NH1 3.08Å; E1215-R1218 WeakPolarHBondContact OE2-CD 3.41Å; E1215-R1218 IonicContact OE2-CZ 3.6Å; E1215-R1218 IonicContact OE2-NH1 2.72Å; E1215-R1218 PolarHBondContact OE2-NH1 3.37Å; E1216-R1218 VanDerWaalsContact C-N 3.32Å; E1216-R1218 PolarHBondContact O-N 3.26Å; R1218-L1221 PolarHBondContact O-N 2.88Å; R1218-S1222 WeakPolarHBondContact O-CB 3.46Å; R1218-S1222 PolarHBondContact O-N 3.05Å |
| 1219 | Q | 96.3 | Very high | 96.2 | Very high | 84 Ų | 84 | 24.6 Ų | 24.6 | 39% | 0.393 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.3 | -65.7 | 169.6 | 21.5 | 0 | 0 | 112 | L915 E1215 E1216 V1217 R1223 | L915-Q1219 HydrophobicContact CD2-CG 4.4Å; E1215-Q1219 WeakPolarHBondContact O-CG 3.3Å; E1215-Q1219 PolarHBondContact O-N 2.84Å; E1216-Q1219 WeakPolarHBondContact O-CB 3.41Å; E1216-Q1219 PolarHBondContact O-N 3.49Å; E1216-Q1219 VanDerWaalsContact O-N 3.17Å; V1217-Q1219 VanDerWaalsContact C-N 3.27Å; V1217-Q1219 PolarHBondContact O-N 3.49Å; Q1219-R1223 VanDerWaalsContact O-CG 3.29Å; Q1219-R1223 WeakPolarHBondContact O-CG 3.43Å; Q1219-R1223 PolarHBondContact O-N 2.99Å; Q1219-R1223 VanDerWaalsContact O-N 3.1Å |
| 1220 | Y | 96.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 10% | 0.102 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 173.8 | -79.4 | -70.6 | 0 | 0 | 0 | 112.4 | F906 Y908 R1148 V1151 E1216 V1217 S1222 R1223 L1224 | F906-Y1220 HydrophobicContact CD2-CD1 4.11Å; F906-Y1220 AromaticContact CD2-CE1 3.93Å; F906-Y1220 HydrophobicContact CD2-CE1 3.93Å; F906-Y1220 AromaticContact CE2-CD1 3.73Å; F906-Y1220 HydrophobicContact CE2-CD1 3.73Å; F906-Y1220 AromaticContact CE2-CE1 3.45Å; F906-Y1220 HydrophobicContact CE2-CE1 3.45Å; F906-Y1220 VanDerWaalsContact CE2-CE1 3.45Å; F906-Y1220 HydrophobicContact CZ-CD1 4.21Å; F906-Y1220 HydrophobicContact CZ-CE1 4.25Å; Y908-Y1220 HydrophobicContact CE1-CD1 4.3Å; Y908-Y1220 WeakPolarHBondContact OH-CE1 3.49Å; R1148-Y1220 HydrophobicContact CB-CE2 3.99Å; V1151-Y1220 HydrophobicContact CG2-CD2 4.35Å; V1151-Y1220 HydrophobicContact CG2-CG 4.28Å; E1216-Y1220 HydrophobicContact CG-CD2 4.22Å; E1216-Y1220 HydrophobicContact CG-CE2 3.84Å; E1216-Y1220 VanDerWaalsContact O-CD2 3.31Å; E1216-Y1220 WeakPolarHBondContact O-CD2 3.08Å; E1216-Y1220 PolarHBondContact O-N 3.03Å; E1216-Y1220 VanDerWaalsContact O-N 3.14Å; E1216-Y1220 WeakPolarHBondContact OE1-CE2 3.42Å; V1217-Y1220 PolarHBondContact O-N 3.47Å; V1217-Y1220 VanDerWaalsContact O-N 3.12Å; Y1220-S1222 VanDerWaalsContact C-N 3.34Å; Y1220-S1222 PolarHBondContact O-N 3.4Å; Y1220-R1223 PolarHBondContact O-N 3.43Å; Y1220-L1224 WeakPolarHBondContact O-CB 3.34Å; Y1220-L1224 VanDerWaalsContact O-CG 3.31Å; Y1220-L1224 WeakPolarHBondContact O-CG 3.43Å; Y1220-L1224 PolarHBondContact O-N 3.11Å |
| 1221 | L | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 177.2 | -67 | 176.7 | 0 | 0 | 0 | 111.8 | V918 E919 V1217 R1218 R1223 L1224 G1225 V1226 L1229 I1232 | V918-L1221 HydrophobicContact CG1-CB 3.72Å; V918-L1221 HydrophobicContact CG1-CD1 3.61Å; V918-L1221 HydrophobicContact CG1-CG 4.32Å; V918-L1221 HydrophobicContact CG2-CB 4.43Å; E919-L1221 HydrophobicContact CG-CD1 4.45Å; V1217-L1221 HydrophobicContact CG1-CD1 4.21Å; V1217-L1221 HydrophobicContact CG1-CG 4.36Å; V1217-L1221 WeakPolarHBondContact O-CG 3.42Å; V1217-L1221 PolarHBondContact O-N 3.25Å; R1218-L1221 PolarHBondContact O-N 2.88Å; L1221-R1223 PolarHBondContact O-N 3.38Å; L1221-L1224 CarbonylContact O-C 3.58Å; L1221-L1224 PolarHBondContact O-N 3.13Å; L1221-G1225 PolarHBondContact O-N 3.04Å; L1221-V1226 CarbonylContact C-O 3.58Å; L1221-V1226 HydrophobicContact CB-CG2 4.04Å; L1221-V1226 HydrophobicContact CD2-CG2 3.58Å; L1221-V1226 HydrophobicContact CG-CG2 4.41Å; L1221-V1226 WeakPolarHBondContact O-CG2 3.29Å; L1221-V1226 PolarHBondContact O-N 3.12Å; L1221-V1226 VanDerWaalsContact O-N 3.09Å; L1221-L1229 HydrophobicContact CD1-CG 4.23Å; L1221-L1229 HydrophobicContact CD2-CD2 4.29Å; L1221-I1232 HydrophobicContact CD2-CD1 3.73Å; L1221-I1232 HydrophobicContact CD2-CG1 4.34Å |
| 1222 | S | 96.7 | Very high | 95.2 | Very high | 17 Ų | 17 | 31.2 Ų | 31.2 | 12% | 0.119 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -53.6 | -51.1 | 173.2 | 164.4 | 0 | 0 | 0 | 0 | 111.6 | P912 L913 R1218 Y1220 L1224 G1225 | P912-S1222 CarbonylContact C-O 3.6Å; P912-S1222 WeakPolarHBondContact CA-O 3.33Å; P912-S1222 WeakPolarHBondContact CB-O 3.43Å; L913-S1222 PolarHBondContact N-O 2.94Å; L913-S1222 VanDerWaalsContact O-CB 3.31Å; L913-S1222 WeakPolarHBondContact O-CB 3.42Å; L913-S1222 PolarHBondContact O-OG 2.71Å; R1218-S1222 WeakPolarHBondContact O-CB 3.46Å; R1218-S1222 PolarHBondContact O-N 3.05Å; Y1220-S1222 VanDerWaalsContact C-N 3.34Å; Y1220-S1222 PolarHBondContact O-N 3.4Å; S1222-L1224 VanDerWaalsContact C-N 3.34Å; S1222-L1224 PolarHBondContact O-N 3.42Å; S1222-G1225 PolarHBondContact O-N 3.13Å |
| 1223 | R | 96.5 | Very high | 94.9 | Very high | 115 Ų | 115 | 31.7 Ų | 31.7 | 43% | 0.434 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -67.2 | -31 | 179.5 | -68.9 | 173.5 | 65.5 | -175.5 | 1.9 | 113.6 | Y908 S909 Q1219 Y1220 L1221 | Y908-R1223 HydrophobicContact CD1-CB 3.57Å; Y908-R1223 HydrophobicContact CE1-CB 3.76Å; Y908-R1223 HydrophobicContact CG-CB 4.46Å; Y908-R1223 PolarHBondContact OH-NH1 2.8Å; Y908-R1223 PolarHBondContact OH-NH2 3.49Å; S909-R1223 PolarHBondContact N-O 3.29Å; S909-R1223 VanDerWaalsContact N-O 3.11Å; Q1219-R1223 VanDerWaalsContact O-CG 3.29Å; Q1219-R1223 WeakPolarHBondContact O-CG 3.43Å; Q1219-R1223 PolarHBondContact O-N 2.99Å; Q1219-R1223 VanDerWaalsContact O-N 3.1Å; Y1220-R1223 PolarHBondContact O-N 3.43Å; L1221-R1223 PolarHBondContact O-N 3.38Å |
| 1224 | L | 95.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -75.2 | -15.5 | 173.6 | -72.2 | 172.4 | 0 | 0 | 0 | 112.2 | F906 Y908 S909 V1151 Y1220 L1221 S1222 V1226 Y1238 | F906-L1224 HydrophobicContact CB-CD2 4.17Å; F906-L1224 HydrophobicContact CD1-CD2 4.36Å; Y908-L1224 HydrophobicContact CD1-CD2 4.11Å; Y908-L1224 HydrophobicContact CD1-CG 4.43Å; Y908-L1224 HydrophobicContact CE1-CD2 4.49Å; S909-L1224 WeakPolarHBondContact CB-O 3.26Å; V1151-L1224 HydrophobicContact CG1-CD1 3.88Å; Y1220-L1224 WeakPolarHBondContact O-CB 3.34Å; Y1220-L1224 VanDerWaalsContact O-CG 3.31Å; Y1220-L1224 WeakPolarHBondContact O-CG 3.43Å; Y1220-L1224 PolarHBondContact O-N 3.11Å; L1221-L1224 CarbonylContact O-C 3.58Å; L1221-L1224 PolarHBondContact O-N 3.13Å; S1222-L1224 VanDerWaalsContact C-N 3.34Å; S1222-L1224 PolarHBondContact O-N 3.42Å; L1224-V1226 HydrophobicContact CB-CG2 3.94Å; L1224-Y1238 HydrophobicContact CD2-CD1 3.93Å; L1224-Y1238 HydrophobicContact CD2-CG 4.33Å |
| 1225 | G | 94.7 | Very high | 94.3 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 27% | 0.268 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 29.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | L913 L1221 S1222 | L913-G1225 VanDerWaalsContact CD1-O 3.28Å; L913-G1225 WeakPolarHBondContact CD1-O 3.34Å; L1221-G1225 PolarHBondContact O-N 3.04Å; S1222-G1225 PolarHBondContact O-N 3.13Å |
| 1226 | V | 94 | Very high | 94.1 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | trans | -119.5 | 148.8 | 178.1 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | L1221 L1224 E1231 I1232 | L1221-V1226 CarbonylContact C-O 3.58Å; L1221-V1226 HydrophobicContact CB-CG2 4.04Å; L1221-V1226 HydrophobicContact CD2-CG2 3.58Å; L1221-V1226 HydrophobicContact CG-CG2 4.41Å; L1221-V1226 WeakPolarHBondContact O-CG2 3.29Å; L1221-V1226 PolarHBondContact O-N 3.12Å; L1221-V1226 VanDerWaalsContact O-N 3.09Å; L1224-V1226 HydrophobicContact CB-CG2 3.94Å; V1226-E1231 HydrophobicContact CB-CB 4.39Å; V1226-E1231 HydrophobicContact CG1-CB 4.43Å; V1226-I1232 HydrophobicContact CB-CG2 4.14Å; V1226-I1232 HydrophobicContact CG1-CG2 3.85Å; V1226-I1232 HydrophobicContact CG2-CG2 3.68Å | ||
| 1227 | S | 93.9 | Very high | 93.8 | Very high | 46 Ų | 46 | 36.6 Ų | 36.6 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -89.1 | -18.7 | -176.8 | 40.6 | 0 | 0 | 0 | 0 | 114.4 | L917 V918 E919 E1231 | L917-S1227 WeakPolarHBondContact O-CB 3.31Å; V918-S1227 CarbonylContact C-O 3.53Å; V918-S1227 WeakPolarHBondContact CA-O 3.15Å; E919-S1227 PolarHBondContact N-O 2.86Å; S1227-E1231 PolarHBondContact N-OE1 3.14Å; S1227-E1231 PolarHBondContact N-OE2 2.96Å; S1227-E1231 VanDerWaalsContact N-OE2 3.17Å; S1227-E1231 PolarHBondContact OG-OE1 3.04Å; S1227-E1231 PolarHBondContact OG-OE2 2.84Å |
| 1228 | S | 93.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 39 Ų | 39 | 16% | 0.161 | 18% | 0.182 | C | C | . | . | trans | -149.4 | 155 | -176.7 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | R1230 E1231 | S1228-R1230 PolarHBondContact O-N 2.95Å; S1228-E1231 PolarHBondContact N-OE1 3.13Å; S1228-E1231 PolarHBondContact O-N 2.73Å; S1228-E1231 PolarHBondContact OG-OE1 2.78Å | ||
| 1229 | L | 91.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -56.5 | -32.9 | 171.1 | -83.1 | 171.3 | 0 | 0 | 0 | 111.8 | E919 I924 C1154 F1161 V1217 L1221 E1231 I1232 | E919-L1229 VanDerWaalsContact OE1-CB 3.3Å; E919-L1229 WeakPolarHBondContact OE1-CB 3.42Å; E919-L1229 WeakPolarHBondContact OE1-CG 3.39Å; E919-L1229 PolarHBondContact OE1-N 2.64Å; I924-L1229 HydrophobicContact CG1-CD1 4.26Å; I924-L1229 HydrophobicContact CG2-CD1 4.05Å; C1154-L1229 HydrophobicContact CB-CD2 4.12Å; C1154-L1229 PolarHBondContact SG-O 3.26Å; F1161-L1229 HydrophobicContact CE2-CD1 4.39Å; V1217-L1229 HydrophobicContact CG1-CD1 4.1Å; V1217-L1229 HydrophobicContact CG1-CD2 3.76Å; V1217-L1229 HydrophobicContact CG1-CG 3.98Å; L1221-L1229 HydrophobicContact CD1-CG 4.23Å; L1221-L1229 HydrophobicContact CD2-CD2 4.29Å; L1229-E1231 PolarHBondContact O-N 3.39Å; L1229-I1232 HydrophobicContact CD2-CD1 4.15Å; L1229-I1232 WeakPolarHBondContact O-CG1 3.18Å; L1229-I1232 PolarHBondContact O-N 2.82Å |
| 1230 | R | 88.7 | Confident | 93.4 | Very high | 138 Ų | 138 | 37.6 Ų | 37.6 | 52% | 0.521 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -61.1 | -34.5 | -178.8 | -172.2 | 179 | -179 | -174.1 | -1.4 | 112.3 | S1228 I1232 V1267 | S1228-R1230 PolarHBondContact O-N 2.95Å; R1230-I1232 PolarHBondContact O-N 3.44Å; R1230-V1267 PolarHBondContact NH2-O 3.06Å |
| 1231 | E | 89.9 | Confident | 93.2 | Very high | 79 Ų | 79 | 39.4 Ų | 39.4 | 37% | 0.369 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -68.9 | -21.4 | -177.9 | -74.1 | 159.3 | -120.4 | 0 | 0 | 113.5 | V1226 S1227 S1228 L1229 R1235 | V1226-E1231 HydrophobicContact CB-CB 4.39Å; V1226-E1231 HydrophobicContact CG1-CB 4.43Å; S1227-E1231 PolarHBondContact N-OE1 3.14Å; S1227-E1231 PolarHBondContact N-OE2 2.96Å; S1227-E1231 VanDerWaalsContact N-OE2 3.17Å; S1227-E1231 PolarHBondContact OG-OE1 3.04Å; S1227-E1231 PolarHBondContact OG-OE2 2.84Å; S1228-E1231 PolarHBondContact N-OE1 3.13Å; S1228-E1231 PolarHBondContact O-N 2.73Å; S1228-E1231 PolarHBondContact OG-OE1 2.78Å; L1229-E1231 PolarHBondContact O-N 3.39Å; E1231-R1235 WeakPolarHBondContact O-CG 3.36Å |
| 1232 | I | 92.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -103.5 | -3.3 | -176.7 | 62 | 167.8 | 0 | 0 | 0 | 113.6 | V1151 C1154 I1155 L1221 V1226 L1229 R1230 G1234 R1235 Y1238 | V1151-I1232 HydrophobicContact CG1-CD1 3.86Å; C1154-I1232 HydrophobicContact CB-CD1 4.09Å; C1154-I1232 HydrophobicContact CB-CG1 4.27Å; I1155-I1232 WeakPolarHBondContact CA-O 3.34Å; I1155-I1232 HydrophobicContact CG1-CB 4.21Å; I1155-I1232 HydrophobicContact CG1-CD1 4.08Å; I1155-I1232 HydrophobicContact CG1-CG1 4.49Å; L1221-I1232 HydrophobicContact CD2-CD1 3.73Å; L1221-I1232 HydrophobicContact CD2-CG1 4.34Å; V1226-I1232 HydrophobicContact CB-CG2 4.14Å; V1226-I1232 HydrophobicContact CG1-CG2 3.85Å; V1226-I1232 HydrophobicContact CG2-CG2 3.68Å; L1229-I1232 HydrophobicContact CD2-CD1 4.15Å; L1229-I1232 WeakPolarHBondContact O-CG1 3.18Å; L1229-I1232 PolarHBondContact O-N 2.82Å; R1230-I1232 PolarHBondContact O-N 3.44Å; I1232-G1234 PolarHBondContact O-N 3.43Å; I1232-G1234 VanDerWaalsContact O-N 3.08Å; I1232-R1235 WeakPolarHBondContact O-CB 3.33Å; I1232-R1235 PolarHBondContact O-N 3.02Å; I1232-Y1238 HydrophobicContact CB-CD2 4.46Å; I1232-Y1238 HydrophobicContact CG2-CD2 4.04Å; I1232-Y1238 HydrophobicContact CG2-CE2 3.89Å |
| 1233 | V | 91.6 | Very high | 92.4 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 117.1 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | C1154 R1235 | C1154-V1233 WeakPolarHBondContact O-CA 3.45Å; C1154-V1233 VanDerWaalsContact SG-CG2 3.59Å; V1233-R1235 VanDerWaalsContact C-N 3.27Å; V1233-R1235 PolarHBondContact O-N 3.35Å |
| 1234 | G | 89.6 | Confident | 91.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 2.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116 | H1124 C1154 I1155 I1232 T1236 | H1124-G1234 VanDerWaalsContact NE2-CA 3.28Å; H1124-G1234 WeakPolarHBondContact NE2-CA 3.45Å; C1154-G1234 PolarHBondContact O-N 3.42Å; I1155-G1234 CarbonylContact O-C 3.54Å; I1155-G1234 WeakPolarHBondContact O-CA 3.47Å; I1155-G1234 PolarHBondContact O-N 2.81Å; I1232-G1234 PolarHBondContact O-N 3.43Å; I1232-G1234 VanDerWaalsContact O-N 3.08Å; G1234-T1236 VanDerWaalsContact C-N 3.33Å; G1234-T1236 PolarHBondContact O-N 3.48Å |
| 1235 | R | 91.2 | Very high | 91.1 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 33% | 0.332 | 26% | 0.26 | S | S | . | . | trans | -86.9 | 68 | -173.9 | -59.7 | -62.1 | -69 | -103.7 | -6.8 | 112.1 | I1155 E1231 I1232 V1233 E1237 Y1238 | I1155-R1235 WeakPolarHBondContact CG2-O 3.4Å; I1155-R1235 PolarHBondContact O-N 3.26Å; E1231-R1235 WeakPolarHBondContact O-CG 3.36Å; I1232-R1235 WeakPolarHBondContact O-CB 3.33Å; I1232-R1235 PolarHBondContact O-N 3.02Å; V1233-R1235 VanDerWaalsContact C-N 3.27Å; V1233-R1235 PolarHBondContact O-N 3.35Å; R1235-E1237 VanDerWaalsContact CA-OE2 3.25Å; R1235-E1237 WeakPolarHBondContact CA-OE2 3.4Å; R1235-E1237 IonicContact CZ-OE1 4Å; R1235-E1237 IonicContact NE-OE1 3.64Å; R1235-E1237 PolarHBondContact NE-OE1 3.09Å; R1235-E1237 IonicContact NE-OE2 3.82Å; R1235-E1237 IonicContact NH2-OE1 3.35Å; R1235-E1237 PolarHBondContact NH2-OE1 3.32Å; R1235-E1237 PolarHBondContact O-N 3.33Å; R1235-Y1238 HydrophobicContact CB-CD2 3.61Å; R1235-Y1238 HydrophobicContact CB-CE2 3.71Å; R1235-Y1238 HydrophobicContact CG-CE2 4.39Å; R1235-Y1238 VanDerWaalsContact O-CD2 3.29Å; R1235-Y1238 WeakPolarHBondContact O-CD2 3.3Å; R1235-Y1238 PolarHBondContact O-N 3.43Å; R1235-Y1238 VanDerWaalsContact O-N 3.14Å | ||
| 1236 | T | 92.7 | Very high | 90.5 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -59.6 | -14.4 | -173.5 | 50.9 | 0 | 0 | 0 | 0 | 114.7 | I1155 L1156 G1234 Y1238 L1239 M1259 I1260 K1261 | I1155-T1236 HydrophobicContact CG2-CG2 4.46Å; L1156-T1236 HydrophobicContact CD2-CG2 4.45Å; G1234-T1236 VanDerWaalsContact C-N 3.33Å; G1234-T1236 PolarHBondContact O-N 3.48Å; T1236-Y1238 PolarHBondContact O-N 3.42Å; T1236-L1239 PolarHBondContact O-N 3.1Å; T1236-M1259 WeakPolarHBondContact CB-O 3.38Å; T1236-M1259 PolarHBondContact OG1-O 2.87Å; T1236-M1259 VanDerWaalsContact OG1-O 3.1Å; T1236-I1260 VanDerWaalsContact OG1-C 3.29Å; T1236-I1260 PolarHBondContact OG1-O 3.39Å; T1236-K1261 WeakPolarHBondContact OG1-CA 3.21Å |
| 1237 | E | 90.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 30% | 0.304 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -61.1 | -22.4 | 172.7 | 65.9 | -96.8 | -137.5 | 0 | 0 | 114.3 | N907 R1235 L1239 | N907-E1237 PolarHBondContact ND2-O 2.99Å; R1235-E1237 VanDerWaalsContact CA-OE2 3.25Å; R1235-E1237 WeakPolarHBondContact CA-OE2 3.4Å; R1235-E1237 IonicContact CZ-OE1 4Å; R1235-E1237 IonicContact NE-OE1 3.64Å; R1235-E1237 PolarHBondContact NE-OE1 3.09Å; R1235-E1237 IonicContact NE-OE2 3.82Å; R1235-E1237 IonicContact NH2-OE1 3.35Å; R1235-E1237 PolarHBondContact NH2-OE1 3.32Å; R1235-E1237 PolarHBondContact O-N 3.33Å; E1237-L1239 PolarHBondContact O-N 3.32Å |
| 1238 | Y | 94.1 | Very high | 89.5 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -76.3 | -4.4 | 175.3 | -67.7 | -65.6 | 0 | 0 | 0 | 113.2 | F906 N907 L1224 I1232 R1235 T1236 | F906-Y1238 CarbonylContact C-O 3.47Å; F906-Y1238 WeakPolarHBondContact CA-O 3.48Å; N907-Y1238 PolarHBondContact N-O 3.2Å; L1224-Y1238 HydrophobicContact CD2-CD1 3.93Å; L1224-Y1238 HydrophobicContact CD2-CG 4.33Å; I1232-Y1238 HydrophobicContact CB-CD2 4.46Å; I1232-Y1238 HydrophobicContact CG2-CD2 4.04Å; I1232-Y1238 HydrophobicContact CG2-CE2 3.89Å; R1235-Y1238 HydrophobicContact CB-CD2 3.61Å; R1235-Y1238 HydrophobicContact CB-CE2 3.71Å; R1235-Y1238 HydrophobicContact CG-CE2 4.39Å; R1235-Y1238 VanDerWaalsContact O-CD2 3.29Å; R1235-Y1238 WeakPolarHBondContact O-CD2 3.3Å; R1235-Y1238 PolarHBondContact O-N 3.43Å; R1235-Y1238 VanDerWaalsContact O-N 3.14Å; T1236-Y1238 PolarHBondContact O-N 3.42Å |
| 1239 | L | 95.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 151.2 | 176 | -64.3 | 171.9 | 0 | 0 | 0 | 111.4 | L904 D905 F906 N907 I1152 I1155 L1156 T1236 E1237 M1259 | L904-L1239 HydrophobicContact CD1-CD1 4.3Å; D905-L1239 CarbonylContact O-C 3.46Å; D905-L1239 WeakPolarHBondContact O-CA 3.41Å; F906-L1239 HydrophobicContact CD1-CD2 3.97Å; F906-L1239 HydrophobicContact CE1-CD2 4.01Å; N907-L1239 PolarHBondContact ND2-O 3.2Å; I1152-L1239 HydrophobicContact CG1-CD2 4.14Å; I1155-L1239 HydrophobicContact CB-CD1 4.02Å; I1155-L1239 HydrophobicContact CB-CG 4.26Å; I1155-L1239 HydrophobicContact CD1-CD2 3.96Å; I1155-L1239 HydrophobicContact CD1-CG 4.08Å; I1155-L1239 HydrophobicContact CG2-CD1 3.47Å; I1155-L1239 VanDerWaalsContact CG2-CD1 3.47Å; I1155-L1239 HydrophobicContact CG2-CG 3.64Å; L1156-L1239 HydrophobicContact CD2-CD1 3.89Å; L1156-L1239 HydrophobicContact CG-CD1 4.38Å; T1236-L1239 PolarHBondContact O-N 3.1Å; E1237-L1239 PolarHBondContact O-N 3.32Å; L1239-M1259 HydrophobicContact CB-CG 4.36Å; L1239-M1259 HydrophobicContact CB-SD 4.08Å |
| 1240 | K | 93.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 34% | 0.339 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.5 | 167.8 | 54 | 161.7 | 169.3 | -103.1 | 0 | 110.2 | L904 D905 F906 N907 | L904-K1240 CarbonylContact C-O 3.57Å; L904-K1240 WeakPolarHBondContact CA-O 3.47Å; D905-K1240 HydrophobicContact CB-CG 4.26Å; D905-K1240 PolarHBondContact N-O 3.35Å; D905-K1240 WeakPolarHBondContact O-CG 3.47Å; D905-K1240 PolarHBondContact O-N 3.23Å; F906-K1240 VanDerWaalsContact O-CE 3.25Å; F906-K1240 WeakPolarHBondContact O-CE 3.44Å; F906-K1240 PolarHBondContact O-NZ 3.1Å; N907-K1240 VanDerWaalsContact OD1-CD 3.23Å; N907-K1240 WeakPolarHBondContact OD1-CD 3.39Å; N907-K1240 VanDerWaalsContact OD1-CG 3.3Å; N907-K1240 WeakPolarHBondContact OD1-CG 3.11Å; N907-K1240 PolarHBondContact OD1-NZ 2.75Å |
| 1241 | P | 92.8 | Very high | 89.3 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 138.2 | 167.8 | -20.4 | 33.4 | 0 | 0 | 0 | 110.8 | M1259 | P1241-M1259 HydrophobicContact CG-CE 3.71Å |
| 1242 | R | 90.2 | Very high | 89.5 | Confident | 47 Ų | 47 | 54 Ų | 54 | 18% | 0.177 | 28% | 0.277 | C | S | . | . | trans | -66.8 | 137.3 | 177.3 | -179.4 | 177 | 167.2 | -79.1 | -7.8 | 110.7 | Q903 D905 P1244 | Q903-R1242 VanDerWaalsContact O-CB 3.29Å; Q903-R1242 WeakPolarHBondContact O-CB 3.39Å; Q903-R1242 PolarHBondContact O-N 2.91Å; D905-R1242 HydrophobicContact CB-CB 4.45Å; R1242-P1244 PolarHBondContact NH1-O 3.34Å | ||
| 1243 | K | 86.4 | Confident | 89.5 | Confident | 184 Ų | 184 | 55 Ų | 55 | 80% | 0.8 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -132.5 | 135.8 | 171.2 | -67.6 | -173.4 | 178.9 | -178.9 | 0 | 110.6 | ||
| 1244 | P | 84.6 | Confident | 89.5 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 68% | 0.675 | 30% | 0.296 | S | S | * | . | S | Bend | cis | -74.9 | 150.1 | -4.7 | 31.6 | -34.8 | 0 | 0 | 0 | 113 | R1242 | R1242-P1244 PolarHBondContact NH1-O 3.34Š|
| 1245 | C | 81.9 | Confident | 89.7 | Confident | 56 Ų | 56 | 58.5 Ų | 58.5 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | trans | -63.5 | 150.3 | 172.7 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | Q1251 | C1245-Q1251 HydrophobicContact CB-CB 4.15Š| ||
| 1246 | L | 80.5 | Confident | 89.6 | Confident | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.356 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -78.6 | -42.4 | -176.6 | -86.2 | 158.1 | 0 | 0 | 0 | 113 | R896 S1250 | R896-L1246 HydrophobicContact CB-CD1 3.66Å; R896-L1246 WeakPolarHBondContact O-CD1 3.24Å; L1246-S1250 PolarHBondContact N-OG 3.38Å |
| 1247 | T | 82.6 | Confident | 89.5 | Confident | 27 Ų | 27 | 60.9 Ų | 60.9 | 17% | 0.166 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -129.2 | 156.7 | -174 | 72 | 0 | 0 | 0 | 0 | 111 | E526 K1249 S1250 Q1251 | E526-T1247 HydrophobicContact CG-CG2 3.8Å; T1247-K1249 PolarHBondContact O-N 3.05Å; T1247-S1250 PolarHBondContact N-OG 2.91Å; T1247-S1250 PolarHBondContact O-N 2.92Å; T1247-S1250 VanDerWaalsContact O-N 3.14Å; T1247-S1250 PolarHBondContact O-OG 2.92Å; T1247-S1250 WeakPolarHBondContact OG1-CB 3.43Å; T1247-S1250 PolarHBondContact OG1-N 3.31Å; T1247-S1250 VanDerWaalsContact OG1-N 3.07Å; T1247-S1250 PolarHBondContact OG1-OG 3.08Å; T1247-Q1251 PolarHBondContact O-N 3.48Å |
| 1248 | A | 85.9 | Confident | 89.5 | Confident | 45 Ų | 45 | 58 Ų | 58 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | I816 | I816-A1248 HydrophobicContact CD1-CB 4.43Š|
| 1249 | K | 90.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 4% | 0.039 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -43.4 | 176.4 | -65.9 | -167.5 | -81.8 | -172.7 | 0 | 111.7 | A522 C523 S525 Q527 I816 E820 T1247 Q1251 L1252 | A522-K1249 PolarHBondContact O-NZ 2.99Å; C523-K1249 WeakPolarHBondContact O-CB 3.36Å; S525-K1249 WeakPolarHBondContact O-CE 3.5Å; S525-K1249 PolarHBondContact O-NZ 3.37Å; Q527-K1249 PolarHBondContact O-NZ 3.05Å; I816-K1249 HydrophobicContact CD1-CG 4.19Å; I816-K1249 HydrophobicContact CG2-CD 3.75Å; I816-K1249 HydrophobicContact CG2-CG 3.78Å; E820-K1249 WeakPolarHBondContact OE1-CD 3.44Å; E820-K1249 WeakPolarHBondContact OE1-CE 3.25Å; E820-K1249 IonicContact OE1-NZ 3.92Å; E820-K1249 PolarHBondContact OE1-NZ 3.16Å; T1247-K1249 PolarHBondContact O-N 3.05Å; K1249-Q1251 PolarHBondContact O-N 3.43Å; K1249-L1252 PolarHBondContact O-N 2.91Å |
| 1250 | S | 88.6 | Confident | 88.7 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -61.1 | -27.3 | 177.6 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | L1246 T1247 L1252 | L1246-S1250 PolarHBondContact N-OG 3.38Å; T1247-S1250 PolarHBondContact N-OG 2.91Å; T1247-S1250 PolarHBondContact O-N 2.92Å; T1247-S1250 VanDerWaalsContact O-N 3.14Å; T1247-S1250 PolarHBondContact O-OG 2.92Å; T1247-S1250 WeakPolarHBondContact OG1-CB 3.43Å; T1247-S1250 PolarHBondContact OG1-N 3.31Å; T1247-S1250 VanDerWaalsContact OG1-N 3.07Å; T1247-S1250 PolarHBondContact OG1-OG 3.08Å; S1250-L1252 VanDerWaalsContact C-N 3.3Å; S1250-L1252 PolarHBondContact O-N 2.89Å |
| 1251 | Q | 90.7 | Very high | 88 | Confident | 143 Ų | 143 | 60 Ų | 60 | 67% | 0.668 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -71 | -24.2 | 177 | -174 | 177.5 | -3 | 0 | 0 | 113.3 | C1245 T1247 K1249 I1253 | C1245-Q1251 HydrophobicContact CB-CB 4.15Å; T1247-Q1251 PolarHBondContact O-N 3.48Å; K1249-Q1251 PolarHBondContact O-N 3.43Å; Q1251-I1253 VanDerWaalsContact C-N 3.34Å |
| 1252 | L | 92.9 | Very high | 87.1 | Confident | 67 Ų | 67 | 57.5 Ų | 57.5 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -87.2 | -5.3 | -178.3 | -61.1 | 174.6 | 0 | 0 | 0 | 113.3 | G811 I816 K1249 S1250 | G811-L1252 WeakPolarHBondContact O-CB 3.27Å; I816-L1252 HydrophobicContact CD1-CD1 4.13Å; I816-L1252 HydrophobicContact CG1-CD1 3.56Å; K1249-L1252 PolarHBondContact O-N 2.91Å; S1250-L1252 VanDerWaalsContact C-N 3.3Å; S1250-L1252 PolarHBondContact O-N 2.89Å |
| 1253 | I | 93.2 | Very high | 86 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | trans | -81.9 | 130.4 | -179.1 | -57.5 | 178.6 | 0 | 0 | 0 | 109.3 | C523 L524 V809 Q1251 L1255 | C523-I1253 HydrophobicContact CB-CD1 4.13Å; L524-I1253 HydrophobicContact CD2-CD1 3.55Å; L524-I1253 HydrophobicContact CG-CD1 4.31Å; V809-I1253 HydrophobicContact CB-CG2 3.93Å; V809-I1253 HydrophobicContact CG2-CG2 4.44Å; Q1251-I1253 VanDerWaalsContact C-N 3.34Å; I1253-L1255 HydrophobicContact CG2-CD2 3.71Å; I1253-L1255 HydrophobicContact CG2-CG 4.08Å | ||
| 1254 | D | 92.1 | Very high | 84.8 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | trans | -97.5 | 111.8 | 171.1 | -177.1 | 12.3 | 0 | 0 | 0 | 110.8 | V809 S1256 | V809-D1254 PolarHBondContact O-N 3.28Å; D1254-S1256 WeakPolarHBondContact OD1-CB 3.22Å; D1254-S1256 PolarHBondContact OD1-N 3.08Å; D1254-S1256 PolarHBondContact OD1-OG 3.03Å; D1254-S1256 PolarHBondContact OD2-OG 3.26Å | ||
| 1255 | L | 92.5 | Very high | 83.4 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.068 | 29% | 0.286 | C | S | . | . | trans | -100.1 | 6.4 | 177.5 | -59.2 | 176.2 | 0 | 0 | 0 | 112.6 | L900 Q903 L904 I1253 R1257 L1258 M1259 | L900-L1255 HydrophobicContact CD2-CD2 4.39Å; Q903-L1255 HydrophobicContact CB-CD1 3.8Å; L904-L1255 HydrophobicContact CD2-CB 4.45Å; L904-L1255 HydrophobicContact CD2-CD1 3.77Å; L904-L1255 HydrophobicContact CG-CD1 4.32Å; I1253-L1255 HydrophobicContact CG2-CD2 3.71Å; I1253-L1255 HydrophobicContact CG2-CG 4.08Å; L1255-R1257 PolarHBondContact O-N 2.9Å; L1255-L1258 WeakPolarHBondContact O-CB 3.47Å; L1255-L1258 PolarHBondContact O-N 3.32Å; L1255-M1259 HydrophobicContact CB-CE 4.14Å; L1255-M1259 WeakPolarHBondContact O-CE 3.26Å; L1255-M1259 PolarHBondContact O-N 3.34Å | ||
| 1256 | S | 90.6 | Very high | 82 | Confident | 58 Ų | 58 | 59.1 Ų | 59.1 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -58.4 | -44.2 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 112.6 | D1254 L1258 M1259 I1260 | D1254-S1256 WeakPolarHBondContact OD1-CB 3.22Å; D1254-S1256 PolarHBondContact OD1-N 3.08Å; D1254-S1256 PolarHBondContact OD1-OG 3.03Å; D1254-S1256 PolarHBondContact OD2-OG 3.26Å; S1256-L1258 PolarHBondContact O-N 3.05Å; S1256-M1259 CarbonylContact O-C 3.53Å; S1256-M1259 PolarHBondContact O-N 3.39Å; S1256-I1260 PolarHBondContact O-N 3.27Å |
| 1257 | R | 89.5 | Confident | 80.5 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -61.7 | -29.2 | 179.7 | -55.8 | -167.7 | -175.9 | 168.5 | 3.4 | 113.5 | E12 L14 Q1125 L1255 M1259 | E12-R1257 WeakPolarHBondContact O-CG 3.47Å; L14-R1257 HydrophobicContact CD2-CB 3.83Å; L14-R1257 HydrophobicContact CG-CB 4.09Å; Q1125-R1257 PolarHBondContact NE2-O 2.63Å; L1255-R1257 PolarHBondContact O-N 2.9Å; R1257-M1259 VanDerWaalsContact C-N 3.33Å |
| 1258 | L | 90 | Very high | 78.7 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -71.1 | -30.9 | 176.4 | -167.3 | 112.1 | 0 | 0 | 0 | 111.9 | L904 E1117 L1118 A1121 L1156 L1255 S1256 | L904-L1258 HydrophobicContact CD1-CD2 3.71Å; E1117-L1258 HydrophobicContact CB-CD1 4.01Å; E1117-L1258 WeakPolarHBondContact O-CD1 3.5Å; L1118-L1258 HydrophobicContact CD2-CD1 4.04Å; A1121-L1258 HydrophobicContact CB-CD1 4.36Å; A1121-L1258 HydrophobicContact CB-CG 4.35Å; L1156-L1258 HydrophobicContact CD1-CD2 4.01Å; L1156-L1258 HydrophobicContact CD1-CG 4.45Å; L1156-L1258 HydrophobicContact CD2-CD2 3.52Å; L1156-L1258 HydrophobicContact CD2-CG 3.85Å; L1156-L1258 HydrophobicContact CG-CD2 4.42Å; L1255-L1258 WeakPolarHBondContact O-CB 3.47Å; L1255-L1258 PolarHBondContact O-N 3.32Å; S1256-L1258 PolarHBondContact O-N 3.05Å |
| 1259 | M | 88.1 | Confident | 76.9 | Confident | 35 Ų | 35 | 62.6 Ų | 62.6 | 17% | 0.172 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -104.2 | 21.5 | -175.1 | -56.2 | 176.4 | -71.2 | 0 | 0 | 113 | L904 T1236 L1239 P1241 L1255 S1256 R1257 K1261 | L904-M1259 HydrophobicContact CD2-CG 4.49Å; L904-M1259 HydrophobicContact CD2-SD 3.86Å; T1236-M1259 WeakPolarHBondContact CB-O 3.38Å; T1236-M1259 PolarHBondContact OG1-O 2.87Å; T1236-M1259 VanDerWaalsContact OG1-O 3.1Å; L1239-M1259 HydrophobicContact CB-CG 4.36Å; L1239-M1259 HydrophobicContact CB-SD 4.08Å; P1241-M1259 HydrophobicContact CG-CE 3.71Å; L1255-M1259 HydrophobicContact CB-CE 4.14Å; L1255-M1259 WeakPolarHBondContact O-CE 3.26Å; L1255-M1259 PolarHBondContact O-N 3.34Å; S1256-M1259 CarbonylContact O-C 3.53Å; S1256-M1259 PolarHBondContact O-N 3.39Å; R1257-M1259 VanDerWaalsContact C-N 3.33Å; M1259-K1261 PolarHBondContact O-N 2.74Å |
| 1260 | I | 85.7 | Confident | 74.4 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 20% | 0.195 | 33% | 0.326 | C | S | . | . | trans | -64.6 | 134.6 | 173.3 | -75.6 | 171.2 | 0 | 0 | 0 | 109.3 | E12 M13 T1236 S1256 T1262 | E12-I1260 HydrophobicContact CB-CD1 4.03Å; E12-I1260 WeakPolarHBondContact O-CD1 3.42Å; M13-I1260 HydrophobicContact CG-CD1 4.39Å; M13-I1260 HydrophobicContact CG-CG2 4.45Å; T1236-I1260 VanDerWaalsContact OG1-C 3.29Å; T1236-I1260 PolarHBondContact OG1-O 3.39Å; S1256-I1260 PolarHBondContact O-N 3.27Å; I1260-T1262 HydrophobicContact CG2-CG2 4.47Å; I1260-T1262 PolarHBondContact O-N 3.03Å | ||
| 1261 | K | 79.1 | Confident | 72.1 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | trans | -77.5 | 116.6 | 177.8 | -166.7 | -178.6 | 178.2 | -159.7 | 0 | 109.4 | T1236 M1259 E1263 | T1236-K1261 WeakPolarHBondContact OG1-CA 3.21Å; M1259-K1261 PolarHBondContact O-N 2.74Å; K1261-E1263 VanDerWaalsContact CE-OE1 3.28Å; K1261-E1263 WeakPolarHBondContact CE-OE1 3.39Å; K1261-E1263 IonicContact NZ-OE1 3.98Å; K1261-E1263 PolarHBondContact NZ-OE1 3.41Å | ||
| 1262 | T | 73.8 | Confident | 69.7 | Low | 12 Ų | 12 | 64.9 Ų | 64.9 | 7% | 0.074 | 34% | 0.341 | C | S | . | . | trans | -119.2 | 113.8 | 170.3 | 41.7 | 0 | 0 | 0 | 0 | 108 | M13 Q1125 I1260 P1264 | M13-T1262 HydrophobicContact CE-CG2 4.21Å; Q1125-T1262 HydrophobicContact CB-CG2 4.42Å; Q1125-T1262 HydrophobicContact CG-CG2 4.11Å; I1260-T1262 HydrophobicContact CG2-CG2 4.47Å; I1260-T1262 PolarHBondContact O-N 3.03Å; T1262-P1264 VanDerWaalsContact O-CD 3.27Å; T1262-P1264 WeakPolarHBondContact O-CD 3.3Å | ||
| 1263 | E | 65.9 | Low | 67.1 | Low | 133 Ų | 133 | 71.6 Ų | 71.6 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | trans | -82.5 | 114.3 | 176.4 | -68.2 | -171.9 | 171.7 | 0 | 0 | 108.7 | T1128 K1261 | T1128-E1263 WeakPolarHBondContact CG2-O 3.1Å; K1261-E1263 VanDerWaalsContact CE-OE1 3.28Å; K1261-E1263 WeakPolarHBondContact CE-OE1 3.39Å; K1261-E1263 IonicContact NZ-OE1 3.98Å; K1261-E1263 PolarHBondContact NZ-OE1 3.41Å | ||
| 1264 | P | 61.5 | Low | 64.8 | Low | 41 Ų | 41 | 74.7 Ų | 74.7 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | trans | -68.9 | 138.5 | 172.9 | 28.1 | -31.7 | 0 | 0 | 0 | 109.7 | T1262 V1267 | T1262-P1264 VanDerWaalsContact O-CD 3.27Å; T1262-P1264 WeakPolarHBondContact O-CD 3.3Å; P1264-V1267 HydrophobicContact CB-CG2 4.2Å | ||
| 1265 | D | 54.8 | Low | 62.5 | Low | 94 Ų | 94 | 74 Ų | 74 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | trans | -51.2 | 146.4 | 162.1 | -67.8 | -41.4 | 0 | 0 | 0 | 108.9 | V1267 | D1265-V1267 PolarHBondContact O-N 3.33Š| ||
| 1266 | E | 52.4 | Low | 60.2 | Low | 158 Ų | 158 | 79.7 Ų | 79.7 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | trans | -43.6 | 112.3 | -178.4 | -88.8 | -167.7 | 157.6 | 0 | 0 | 110.5 | H1268 | E1266-H1268 VanDerWaalsContact C-N 3.27Å; E1266-H1268 PolarHBondContact O-N 3.32Å; E1266-H1268 IonicContact OE2-NE2 2.71Å | ||
| 1267 | V | 49.2 | Very low | 58.3 | Low | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.17 | 41% | 0.405 | C | S | . | . | trans | -71.7 | 88.2 | -173.1 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | R1230 P1264 D1265 Y1269 | R1230-V1267 PolarHBondContact NH2-O 3.06Å; P1264-V1267 HydrophobicContact CB-CG2 4.2Å; D1265-V1267 PolarHBondContact O-N 3.33Å; V1267-Y1269 VanDerWaalsContact C-N 3.33Å; V1267-Y1269 HydrophobicContact CB-CD2 4.37Å; V1267-Y1269 HydrophobicContact CB-CE2 3.93Å; V1267-Y1269 HydrophobicContact CG1-CD1 3.95Å; V1267-Y1269 HydrophobicContact CG1-CD2 3.66Å; V1267-Y1269 HydrophobicContact CG1-CE1 3.6Å; V1267-Y1269 HydrophobicContact CG1-CE2 3.29Å; V1267-Y1269 HydrophobicContact CG1-CG 3.98Å; V1267-Y1269 PolarHBondContact O-N 2.85Å; V1267-Y1269 VanDerWaalsContact O-N 3.1Å | ||
| 1268 | H | 45.8 | Very low | 56.8 | Low | 135 Ų | 135 | 76.2 Ų | 76.2 | 63% | 0.625 | 40% | 0.396 | S | S | * | . | trans | -76.5 | 85.3 | 166.8 | -72.6 | -68.1 | 0 | 0 | 0 | 108.4 | E1266 G1270 | E1266-H1268 VanDerWaalsContact C-N 3.27Å; E1266-H1268 PolarHBondContact O-N 3.32Å; E1266-H1268 IonicContact OE2-NE2 2.71Å; H1268-G1270 PolarHBondContact O-N 2.79Å | ||
| 1269 | Y | 48.7 | Very low | 55.1 | Low | 50 Ų | 50 | 82.4 Ų | 82.4 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -63.2 | 16.6 | 162.8 | -58.3 | -80.3 | 0 | 0 | 0 | 112.6 | K1137 D1159 V1267 S1271 L1272 | K1137-Y1269 HydrophobicContact CG-CD1 3.99Å; K1137-Y1269 HydrophobicContact CG-CE1 3.65Å; D1159-Y1269 PolarHBondContact OD1-OH 2.91Å; V1267-Y1269 VanDerWaalsContact C-N 3.33Å; V1267-Y1269 HydrophobicContact CB-CD2 4.37Å; V1267-Y1269 HydrophobicContact CB-CE2 3.93Å; V1267-Y1269 HydrophobicContact CG1-CD1 3.95Å; V1267-Y1269 HydrophobicContact CG1-CD2 3.66Å; V1267-Y1269 HydrophobicContact CG1-CE1 3.6Å; V1267-Y1269 HydrophobicContact CG1-CE2 3.29Å; V1267-Y1269 HydrophobicContact CG1-CG 3.98Å; V1267-Y1269 PolarHBondContact O-N 2.85Å; V1267-Y1269 VanDerWaalsContact O-N 3.1Å; Y1269-S1271 VanDerWaalsContact C-N 3.33Å; Y1269-S1271 PolarHBondContact O-N 3.44Å; Y1269-L1272 PolarHBondContact O-N 2.86Å |
| 1270 | G | 37.9 | Very low | 53.4 | Low | 40 Ų | 40 | 85.9 Ų | 85.9 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -72.3 | -17.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1268 L1272 R1273 | H1268-G1270 PolarHBondContact O-N 2.79Å; G1270-L1272 VanDerWaalsContact C-N 3.28Å; G1270-L1272 PolarHBondContact O-N 3.3Å; G1270-R1273 WeakPolarHBondContact O-CB 3.5Å; G1270-R1273 PolarHBondContact O-N 3.48Å |
| 1271 | S | 39 | Very low | 52.4 | Low | 102 Ų | 102 | 85.1 Ų | 85.1 | 71% | 0.713 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -78.1 | -12.4 | 173.3 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | Y1269 | Y1269-S1271 VanDerWaalsContact C-N 3.33Å; Y1269-S1271 PolarHBondContact O-N 3.44Å |
| 1272 | L | 42 | Very low | 51.8 | Low | 66 Ų | 66 | 86.8 Ų | 86.8 | 35% | 0.346 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -95.8 | -1 | 170.2 | -82 | 165.4 | 0 | 0 | 0 | 112.9 | V1066 Y1269 G1270 Q1274 | V1066-L1272 HydrophobicContact CG2-CD2 4.29Å; Y1269-L1272 PolarHBondContact O-N 2.86Å; G1270-L1272 VanDerWaalsContact C-N 3.28Å; G1270-L1272 PolarHBondContact O-N 3.3Å; L1272-Q1274 VanDerWaalsContact C-N 3.33Å; L1272-Q1274 PolarHBondContact O-N 3.25Å |
| 1273 | R | 38.2 | Very low | 51.2 | Low | 209 Ų | 209 | 93.5 Ų | 93.5 | 79% | 0.789 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -65.5 | 105.3 | 169.1 | -77.6 | -172.2 | 179 | -170.6 | 0.6 | 106.3 | G1270 S1275 | G1270-R1273 WeakPolarHBondContact O-CB 3.5Å; G1270-R1273 PolarHBondContact O-N 3.48Å; R1273-S1275 PolarHBondContact O-N 3.06Å |
| 1274 | Q | 44.6 | Very low | 51.1 | Low | 86 Ų | 86 | 93.5 Ų | 93.5 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | trans | -30.1 | 100.6 | 140.3 | -70.7 | -179 | -1.6 | 0 | 0 | 106.1 | L1272 V1278 R1282 | L1272-Q1274 VanDerWaalsContact C-N 3.33Å; L1272-Q1274 PolarHBondContact O-N 3.25Å; Q1274-V1278 HydrophobicContact CB-CB 3.88Å; Q1274-V1278 HydrophobicContact CB-CG1 4.03Å; Q1274-V1278 HydrophobicContact CB-CG2 4.49Å; Q1274-V1278 HydrophobicContact CG-CB 4.17Å; Q1274-V1278 HydrophobicContact CG-CG1 3.76Å; Q1274-R1282 VanDerWaalsContact NE2-CZ 3.32Å | ||
| 1275 | S | 44.1 | Very low | 51.5 | Low | 58 Ų | 58 | 95.3 Ų | 95.3 | 41% | 0.406 | 49% | 0.487 | S | S | . | . | trans | -51.1 | 154.2 | 169.2 | 46.4 | 0 | 0 | 0 | 0 | 106.9 | R1273 S1277 V1278 | R1273-S1275 PolarHBondContact O-N 3.06Å; S1275-S1277 WeakPolarHBondContact CB-OG 3.31Å; S1275-S1277 PolarHBondContact O-N 3.01Å; S1275-S1277 PolarHBondContact OG-OG 3.31Å; S1275-V1278 PolarHBondContact O-N 3.38Å | ||
| 1276 | D | 43.8 | Very low | 53 | Low | 133 Ų | 133 | 94 Ų | 94 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -50.5 | -28.7 | 176.3 | -65 | -46.6 | 0 | 0 | 0 | 111.3 | V1278 K1279 D1280 | D1276-V1278 PolarHBondContact O-N 3.43Å; D1276-K1279 WeakPolarHBondContact O-CB 3.31Å; D1276-K1279 PolarHBondContact O-N 3.24Å; D1276-K1279 VanDerWaalsContact O-N 3.12Å; D1276-D1280 PolarHBondContact O-N 3.44Å; D1276-D1280 VanDerWaalsContact O-N 3.12Å |
| 1277 | S | 50.2 | Low | 54.7 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 36% | 0.364 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.9 | -26.6 | 172.2 | 61.6 | 0 | 0 | 0 | 0 | 116.5 | S1275 F1281 | S1275-S1277 WeakPolarHBondContact CB-OG 3.31Å; S1275-S1277 PolarHBondContact O-N 3.01Å; S1275-S1277 PolarHBondContact OG-OG 3.31Å; S1277-F1281 PolarHBondContact O-N 3.05Å |
| 1278 | V | 57.2 | Low | 56.6 | Low | 20 Ų | 20 | 88.7 Ų | 88.7 | 12% | 0.121 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -78.1 | -30.6 | 173.5 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | F1064 Q1274 S1275 D1276 R1282 | F1064-V1278 HydrophobicContact CD1-CG1 3.8Å; F1064-V1278 HydrophobicContact CE1-CG1 3.87Å; Q1274-V1278 HydrophobicContact CB-CB 3.88Å; Q1274-V1278 HydrophobicContact CB-CG1 4.03Å; Q1274-V1278 HydrophobicContact CB-CG2 4.49Å; Q1274-V1278 HydrophobicContact CG-CB 4.17Å; Q1274-V1278 HydrophobicContact CG-CG1 3.76Å; S1275-V1278 PolarHBondContact O-N 3.38Å; D1276-V1278 PolarHBondContact O-N 3.43Å; V1278-R1282 PolarHBondContact O-N 3.09Å |
| 1279 | K | 54.8 | Low | 58.5 | Low | 134 Ų | 134 | 84 Ų | 84 | 58% | 0.583 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.8 | -48.6 | 172.7 | -112 | -176.1 | 177.3 | -176.5 | 0 | 110.4 | D1276 F1281 R1282 | D1276-K1279 WeakPolarHBondContact O-CB 3.31Å; D1276-K1279 PolarHBondContact O-N 3.24Å; D1276-K1279 VanDerWaalsContact O-N 3.12Å; K1279-F1281 VanDerWaalsContact C-N 3.28Å; K1279-F1281 PolarHBondContact O-N 2.83Å; K1279-R1282 PolarHBondContact O-N 2.75Å; K1279-R1282 VanDerWaalsContact O-N 3.09Å |
| 1280 | D | 52.3 | Low | 60.3 | Low | 109 Ų | 109 | 81.8 Ų | 81.8 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58 | -40 | 177.2 | -68.3 | -18.5 | 0 | 0 | 0 | 112 | D1276 R1282 E1283 | D1276-D1280 PolarHBondContact O-N 3.44Å; D1276-D1280 VanDerWaalsContact O-N 3.12Å; D1280-R1282 PolarHBondContact O-N 3.14Å; D1280-E1283 PolarHBondContact O-N 2.89Å |
| 1281 | F | 65.8 | Low | 62.7 | Low | 22 Ų | 22 | 80 Ų | 80 | 10% | 0.096 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 176.1 | 175.4 | -100.4 | 0 | 0 | 0 | 113.3 | F1064 S1277 K1279 E1283 N1284 P1285 S1289 F1290 L1293 | F1064-F1281 HydrophobicContact CE1-CD1 4.02Å; F1064-F1281 HydrophobicContact CE1-CE1 4.29Å; F1064-F1281 HydrophobicContact CE2-CD1 4.06Å; F1064-F1281 AromaticContact CE2-CE1 3.5Å; F1064-F1281 HydrophobicContact CE2-CE1 3.5Å; F1064-F1281 VanDerWaalsContact CE2-CE1 3.5Å; F1064-F1281 HydrophobicContact CE2-CZ 4.32Å; F1064-F1281 AromaticContact CZ-CD1 3.41Å; F1064-F1281 HydrophobicContact CZ-CD1 3.41Å; F1064-F1281 VanDerWaalsContact CZ-CD1 3.41Å; F1064-F1281 AromaticContact CZ-CE1 3.27Å; F1064-F1281 HydrophobicContact CZ-CE1 3.27Å; F1064-F1281 HydrophobicContact CZ-CG 4.35Å; F1064-F1281 HydrophobicContact CZ-CZ 4.14Å; S1277-F1281 PolarHBondContact O-N 3.05Å; K1279-F1281 VanDerWaalsContact C-N 3.28Å; K1279-F1281 PolarHBondContact O-N 2.83Å; F1281-E1283 PolarHBondContact O-N 3.24Å; F1281-N1284 CarbonylContact O-C 3.44Å; F1281-N1284 PolarHBondContact O-N 3.14Å; F1281-P1285 HydrophobicContact CD1-CB 4.36Å; F1281-P1285 HydrophobicContact CD2-CB 4.16Å; F1281-P1285 HydrophobicContact CE1-CB 3.81Å; F1281-P1285 HydrophobicContact CE2-CB 3.58Å; F1281-P1285 HydrophobicContact CZ-CB 3.39Å; F1281-P1285 VanDerWaalsContact O-CA 3.29Å; F1281-P1285 WeakPolarHBondContact O-CA 3.25Å; F1281-P1285 WeakPolarHBondContact O-CB 3.46Å; F1281-P1285 WeakPolarHBondContact O-CD 3.5Å; F1281-S1289 WeakPolarHBondContact CD2-OG 3.36Å; F1281-F1290 HydrophobicContact CE1-CD2 4.39Å; F1281-F1290 HydrophobicContact CE2-CB 3.54Å; F1281-F1290 HydrophobicContact CE2-CD2 4.36Å; F1281-F1290 HydrophobicContact CE2-CG 4.38Å; F1281-F1290 HydrophobicContact CZ-CB 3.76Å; F1281-F1290 AromaticContact CZ-CD2 3.9Å; F1281-F1290 HydrophobicContact CZ-CD2 3.9Å; F1281-F1290 HydrophobicContact CZ-CG 4.14Å; F1281-L1293 HydrophobicContact CB-CD1 3.69Å; F1281-L1293 HydrophobicContact CD2-CD1 4.12Å; F1281-L1293 HydrophobicContact CG-CD1 3.86Å |
| 1282 | R | 66.1 | Low | 65 | Low | 140 Ų | 140 | 80 Ų | 80 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.2 | -24.7 | -179.5 | -75.5 | 178 | 172.8 | -165.7 | -7.7 | 112.8 | Q1274 V1278 K1279 D1280 | Q1274-R1282 VanDerWaalsContact NE2-CZ 3.32Å; V1278-R1282 PolarHBondContact O-N 3.09Å; K1279-R1282 PolarHBondContact O-N 2.75Å; K1279-R1282 VanDerWaalsContact O-N 3.09Å; D1280-R1282 PolarHBondContact O-N 3.14Å |
| 1283 | E | 61.5 | Low | 67 | Low | 153 Ų | 153 | 79.9 Ų | 79.9 | 72% | 0.715 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -80.9 | -30.8 | -179.9 | -65.3 | -174.2 | 174.9 | 0 | 0 | 112.8 | D1280 F1281 | D1280-E1283 PolarHBondContact O-N 2.89Å; F1281-E1283 PolarHBondContact O-N 3.24Å |
| 1284 | N | 62.3 | Low | 69.3 | Low | 134 Ų | 134 | 70.8 Ų | 70.8 | 72% | 0.717 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -147.7 | 76.5 | 174.2 | -89.2 | -47.1 | 0 | 0 | 0 | 112.1 | F1281 T1286 | F1281-N1284 CarbonylContact O-C 3.44Å; F1281-N1284 PolarHBondContact O-N 3.14Å; N1284-T1286 PolarHBondContact O-N 3.39Å; N1284-T1286 VanDerWaalsContact O-N 3.07Å |
| 1285 | P | 71.7 | Confident | 71.2 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 51% | 0.513 | 38% | 0.375 | S | S | . | . | trans | -76.3 | 102.9 | -175.5 | 28.5 | -32.6 | 0 | 0 | 0 | 110.7 | F1281 | F1281-P1285 HydrophobicContact CD1-CB 4.36Å; F1281-P1285 HydrophobicContact CD2-CB 4.16Å; F1281-P1285 HydrophobicContact CE1-CB 3.81Å; F1281-P1285 HydrophobicContact CE2-CB 3.58Å; F1281-P1285 HydrophobicContact CZ-CB 3.39Å; F1281-P1285 VanDerWaalsContact O-CA 3.29Å; F1281-P1285 WeakPolarHBondContact O-CA 3.25Å; F1281-P1285 WeakPolarHBondContact O-CB 3.46Å; F1281-P1285 WeakPolarHBondContact O-CD 3.5Å | ||
| 1286 | T | 85.2 | Confident | 73 | Confident | 67 Ų | 67 | 71.9 Ų | 71.9 | 41% | 0.411 | 39% | 0.393 | S | S | . | . | trans | -98.8 | 153.2 | 165.9 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | N1284 L1288 S1289 F1290 | N1284-T1286 PolarHBondContact O-N 3.39Å; N1284-T1286 VanDerWaalsContact O-N 3.07Å; T1286-L1288 PolarHBondContact O-N 2.65Å; T1286-S1289 PolarHBondContact N-OG 3.39Å; T1286-S1289 VanDerWaalsContact N-OG 3.08Å; T1286-S1289 PolarHBondContact O-N 2.76Å; T1286-S1289 PolarHBondContact O-OG 3.09Å; T1286-S1289 WeakPolarHBondContact OG1-CB 3.43Å; T1286-S1289 PolarHBondContact OG1-N 2.96Å; T1286-S1289 PolarHBondContact OG1-OG 3.22Å; T1286-F1290 PolarHBondContact O-N 3.31Å | ||
| 1287 | T | 88 | Confident | 74.8 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.043 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60 | -33.3 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | A1291 L1305 H1309 I1312 D1313 | T1287-A1291 PolarHBondContact O-N 3.33Å; T1287-A1291 VanDerWaalsContact O-N 3.14Å; T1287-L1305 HydrophobicContact CG2-CB 4.22Å; T1287-L1305 HydrophobicContact CG2-CD2 3.77Å; T1287-H1309 HydrophobicContact CG2-CB 3.91Å; T1287-I1312 HydrophobicContact CG2-CD1 4.26Å; T1287-I1312 WeakPolarHBondContact OG1-CG2 3.48Å; T1287-D1313 WeakPolarHBondContact CB-OD1 3.37Å; T1287-D1313 WeakPolarHBondContact CB-OD2 3.37Å; T1287-D1313 PolarHBondContact N-OD1 3.34Å; T1287-D1313 VanDerWaalsContact N-OD1 3.12Å; T1287-D1313 PolarHBondContact N-OD2 3.36Å; T1287-D1313 PolarHBondContact OG1-OD1 3.14Å |
| 1288 | L | 88.6 | Confident | 76.6 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.2 | -49.6 | 175.2 | -74.7 | 171.7 | 0 | 0 | 0 | 112.4 | T1286 F1290 A1291 D1292 R1306 H1309 | T1286-L1288 PolarHBondContact O-N 2.65Å; L1288-F1290 PolarHBondContact O-N 3.08Å; L1288-A1291 WeakPolarHBondContact O-CB 3.4Å; L1288-A1291 PolarHBondContact O-N 3.14Å; L1288-D1292 PolarHBondContact O-N 3.34Å; L1288-R1306 HydrophobicContact CD2-CB 4.42Å; L1288-R1306 HydrophobicContact CD2-CG 4.12Å; L1288-H1309 HydrophobicContact CD2-CB 4.21Å; L1288-H1309 HydrophobicContact CG-CB 3.87Å |
| 1289 | S | 86.3 | Confident | 78.3 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.4 | -32 | 177.7 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | F1281 T1286 L1293 | F1281-S1289 WeakPolarHBondContact CD2-OG 3.36Å; T1286-S1289 PolarHBondContact N-OG 3.39Å; T1286-S1289 VanDerWaalsContact N-OG 3.08Å; T1286-S1289 PolarHBondContact O-N 2.76Å; T1286-S1289 PolarHBondContact O-OG 3.09Å; T1286-S1289 WeakPolarHBondContact OG1-CB 3.43Å; T1286-S1289 PolarHBondContact OG1-N 2.96Å; T1286-S1289 PolarHBondContact OG1-OG 3.22Å; S1289-L1293 WeakPolarHBondContact O-CG 3.35Å |
| 1290 | F | 86.9 | Confident | 80.1 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.3 | -45.9 | 173.9 | 178.7 | -125.6 | 0 | 0 | 0 | 111.6 | P1063 F1064 F1281 T1286 L1288 D1292 L1293 L1294 L1305 T1343 Y1346 A1347 | P1063-F1290 HydrophobicContact CB-CE2 4.31Å; P1063-F1290 HydrophobicContact CG-CE2 3.97Å; P1063-F1290 HydrophobicContact CG-CZ 3.76Å; F1064-F1290 AromaticContact CE2-CD2 3.96Å; F1064-F1290 HydrophobicContact CE2-CD2 3.96Å; F1064-F1290 AromaticContact CE2-CE2 3.68Å; F1064-F1290 HydrophobicContact CE2-CE2 3.68Å; F1064-F1290 AromaticContact CZ-CD2 3.87Å; F1064-F1290 HydrophobicContact CZ-CD2 3.87Å; F1064-F1290 AromaticContact CZ-CE2 3.9Å; F1064-F1290 HydrophobicContact CZ-CE2 3.9Å; F1281-F1290 HydrophobicContact CE1-CD2 4.39Å; F1281-F1290 HydrophobicContact CE2-CB 3.54Å; F1281-F1290 HydrophobicContact CE2-CD2 4.36Å; F1281-F1290 HydrophobicContact CE2-CG 4.38Å; F1281-F1290 HydrophobicContact CZ-CB 3.76Å; F1281-F1290 AromaticContact CZ-CD2 3.9Å; F1281-F1290 HydrophobicContact CZ-CD2 3.9Å; F1281-F1290 HydrophobicContact CZ-CG 4.14Å; T1286-F1290 PolarHBondContact O-N 3.31Å; L1288-F1290 PolarHBondContact O-N 3.08Å; F1290-D1292 VanDerWaalsContact C-N 3.26Å; F1290-D1292 PolarHBondContact O-N 3.46Å; F1290-L1293 PolarHBondContact O-N 3.46Å; F1290-L1293 VanDerWaalsContact O-N 3.17Å; F1290-L1294 HydrophobicContact CE1-CD1 4.35Å; F1290-L1294 HydrophobicContact CE2-CD2 4.05Å; F1290-L1294 HydrophobicContact CZ-CD2 3.97Å; F1290-L1305 HydrophobicContact CD1-CD1 3.95Å; F1290-L1305 HydrophobicContact CD1-CD2 4.36Å; F1290-L1305 HydrophobicContact CE1-CD1 3.95Å; F1290-T1343 HydrophobicContact CE1-CG2 3.84Å; F1290-T1343 HydrophobicContact CZ-CG2 3.75Å; F1290-Y1346 AromaticContact CE1-CD1 3.79Å; F1290-Y1346 HydrophobicContact CE1-CD1 3.79Å; F1290-Y1346 HydrophobicContact CE1-CE1 4.24Å; F1290-Y1346 AromaticContact CE2-CD1 3.99Å; F1290-Y1346 HydrophobicContact CE2-CD1 3.99Å; F1290-Y1346 AromaticContact CE2-CE1 3.74Å; F1290-Y1346 HydrophobicContact CE2-CE1 3.74Å; F1290-Y1346 AromaticContact CZ-CD1 3.31Å; F1290-Y1346 HydrophobicContact CZ-CD1 3.31Å; F1290-Y1346 AromaticContact CZ-CE1 3.57Å; F1290-Y1346 HydrophobicContact CZ-CE1 3.57Å; F1290-Y1346 HydrophobicContact CZ-CG 4.46Å; F1290-A1347 HydrophobicContact CD1-CB 4.31Å; F1290-A1347 HydrophobicContact CE1-CB 4.23Å |
| 1291 | A | 88.6 | Confident | 82.1 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -34 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T1287 L1288 L1293 L1294 L1305 R1306 | T1287-A1291 PolarHBondContact O-N 3.33Å; T1287-A1291 VanDerWaalsContact O-N 3.14Å; L1288-A1291 WeakPolarHBondContact O-CB 3.4Å; L1288-A1291 PolarHBondContact O-N 3.14Å; A1291-L1293 VanDerWaalsContact C-N 3.29Å; A1291-L1293 PolarHBondContact O-N 3.48Å; A1291-L1294 PolarHBondContact O-N 3Å; A1291-L1305 HydrophobicContact CB-CB 4.11Å; A1291-L1305 HydrophobicContact CB-CD1 4.48Å; A1291-R1306 HydrophobicContact CB-CG 4.08Å |
| 1292 | D | 86.9 | Confident | 83.5 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -73.6 | -17.9 | 179.7 | -65.9 | -24.8 | 0 | 0 | 0 | 113.7 | L1288 F1290 R1306 | L1288-D1292 PolarHBondContact O-N 3.34Å; F1290-D1292 VanDerWaalsContact C-N 3.26Å; F1290-D1292 PolarHBondContact O-N 3.46Å; D1292-R1306 IonicContact OD1-CZ 3.16Å; D1292-R1306 IonicContact OD1-NE 2.97Å; D1292-R1306 IonicContact OD1-NH2 3.31Å; D1292-R1306 PolarHBondContact OD1-NH2 2.96Å |
| 1293 | L | 84.9 | Confident | 84.8 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -88.9 | -12.6 | 176.4 | -69 | 172.2 | 0 | 0 | 0 | 113.4 | F1281 S1289 F1290 A1291 | F1281-L1293 HydrophobicContact CB-CD1 3.69Å; F1281-L1293 HydrophobicContact CD2-CD1 4.12Å; F1281-L1293 HydrophobicContact CG-CD1 3.86Å; S1289-L1293 WeakPolarHBondContact O-CG 3.35Å; F1290-L1293 PolarHBondContact O-N 3.46Å; F1290-L1293 VanDerWaalsContact O-N 3.17Å; A1291-L1293 VanDerWaalsContact C-N 3.29Å; A1291-L1293 PolarHBondContact O-N 3.48Å |
| 1294 | L | 85.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 48.2 Ų | 48.2 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -74.6 | 146.6 | -175 | -67.5 | 175 | 0 | 0 | 0 | 112 | P1063 F1290 A1291 I1302 L1305 T1343 | P1063-L1294 HydrophobicContact CB-CD2 4.18Å; P1063-L1294 HydrophobicContact CG-CD2 3.9Å; F1290-L1294 HydrophobicContact CE1-CD1 4.35Å; F1290-L1294 HydrophobicContact CE2-CD2 4.05Å; F1290-L1294 HydrophobicContact CZ-CD2 3.97Å; A1291-L1294 PolarHBondContact O-N 3Å; L1294-I1302 HydrophobicContact CB-CD1 3.98Å; L1294-I1302 HydrophobicContact CB-CG1 3.92Å; L1294-I1302 HydrophobicContact CD1-CG1 3.95Å; L1294-L1305 HydrophobicContact CD1-CD1 3.59Å; L1294-T1343 HydrophobicContact CD1-CG2 3.67Å; L1294-T1343 HydrophobicContact CD2-CG2 3.72Å; L1294-T1343 HydrophobicContact CG-CG2 4.37Å |
| 1295 | P | 83.9 | Confident | 87.9 | Confident | 74 Ų | 74 | 41.8 Ų | 41.8 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | trans | -64.6 | 150.7 | 175.5 | -12.7 | 25.5 | 0 | 0 | 0 | 112 | D1297 R1298 | P1295-D1297 WeakPolarHBondContact CB-OD1 3.45Å; P1295-D1297 PolarHBondContact O-N 2.93Å; P1295-D1297 VanDerWaalsContact O-N 3.08Å; P1295-R1298 WeakPolarHBondContact O-CB 3.31Å; P1295-R1298 PolarHBondContact O-N 2.89Å | ||
| 1296 | A | 82.9 | Confident | 89 | Confident | 94 Ų | 94 | 44 Ų | 44 | 78% | 0.777 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -60.6 | -22 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R1298 R1299 | A1296-R1298 PolarHBondContact O-N 3.33Å; A1296-R1299 PolarHBondContact O-N 3.47Å |
| 1297 | D | 81.9 | Confident | 89.4 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -71.2 | -3.1 | 175.3 | 71.1 | 0.3 | 0 | 0 | 0 | 113.6 | Y1056 P1295 | Y1056-D1297 WeakPolarHBondContact CE2-OD2 3.48Å; Y1056-D1297 PolarHBondContact OH-O 3.1Å; P1295-D1297 WeakPolarHBondContact CB-OD1 3.45Å; P1295-D1297 PolarHBondContact O-N 2.93Å; P1295-D1297 VanDerWaalsContact O-N 3.08Å |
| 1298 | R | 88.7 | Confident | 89.6 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -98.5 | 27.7 | 173.5 | -54.1 | -55.8 | 179.4 | 166.1 | 2.8 | 113.6 | Y1056 P1295 A1296 L1300 D1301 I1302 | Y1056-R1298 VanDerWaalsContact CD2-NH2 3.35Å; Y1056-R1298 VanDerWaalsContact CE2-CZ 3.42Å; Y1056-R1298 PolarHBondContact O-NH2 3.01Å; Y1056-R1298 VanDerWaalsContact OH-CZ 3.28Å; Y1056-R1298 PolarHBondContact OH-NE 3.36Å; Y1056-R1298 PolarHBondContact OH-NH1 3.02Å; Y1056-R1298 VanDerWaalsContact OH-NH1 3.11Å; P1295-R1298 WeakPolarHBondContact O-CB 3.31Å; P1295-R1298 PolarHBondContact O-N 2.89Å; A1296-R1298 PolarHBondContact O-N 3.33Å; R1298-L1300 PolarHBondContact O-N 3.23Å; R1298-L1300 VanDerWaalsContact O-N 3.16Å; R1298-D1301 PolarHBondContact O-N 3.41Å; R1298-D1301 VanDerWaalsContact O-N 3.1Å; R1298-I1302 HydrophobicContact CB-CD1 4.19Å; R1298-I1302 HydrophobicContact CB-CG1 4.29Å; R1298-I1302 WeakPolarHBondContact O-CG1 3.47Å; R1298-I1302 PolarHBondContact O-N 3.33Å |
| 1299 | R | 91.7 | Very high | 89.7 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -39.6 | -56.2 | -172.9 | -176.5 | -172.4 | 68.7 | 91.2 | -4.9 | 114.6 | A1296 I1302 I1303 E1331 S1332 D1337 | A1296-R1299 PolarHBondContact O-N 3.47Å; R1299-I1302 PolarHBondContact O-N 3.5Å; R1299-I1303 HydrophobicContact CG-CD1 4.22Å; R1299-I1303 WeakPolarHBondContact O-CG1 3.32Å; R1299-I1303 PolarHBondContact O-N 2.99Å; R1299-I1303 VanDerWaalsContact O-N 3.17Å; R1299-E1331 IonicContact NH1-OE2 3.91Å; R1299-S1332 PolarHBondContact NH2-O 3.21Å; R1299-D1337 IonicContact NE-OD1 3.17Å; R1299-D1337 IonicContact NH2-OD1 2.74Å; R1299-D1337 IonicContact NH2-OD2 3.24Å; R1299-D1337 PolarHBondContact NH2-OD2 3.25Å |
| 1300 | L | 93 | Very high | 89.8 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -43.7 | -175.8 | -74.9 | 172.8 | 0 | 0 | 0 | 112.5 | R1298 I1302 I1303 I1304 E1331 I1333 D1337 V1340 | R1298-L1300 PolarHBondContact O-N 3.23Å; R1298-L1300 VanDerWaalsContact O-N 3.16Å; L1300-I1302 VanDerWaalsContact C-N 3.31Å; L1300-I1302 PolarHBondContact O-N 3.32Å; L1300-I1303 PolarHBondContact O-N 3.05Å; L1300-I1304 WeakPolarHBondContact O-CD1 3.37Å; L1300-I1304 VanDerWaalsContact O-CG1 3.22Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.44Å; L1300-I1304 PolarHBondContact O-N 3.41Å; L1300-E1331 HydrophobicContact CD2-CB 3.61Å; L1300-E1331 HydrophobicContact CD2-CG 3.93Å; L1300-I1333 HydrophobicContact CD1-CB 4.18Å; L1300-I1333 HydrophobicContact CD1-CD1 3.92Å; L1300-I1333 HydrophobicContact CD1-CG1 3.81Å; L1300-D1337 HydrophobicContact CD1-CB 4.03Å; L1300-V1340 HydrophobicContact CB-CG1 4.06Å; L1300-V1340 HydrophobicContact CB-CG2 4.39Å; L1300-V1340 HydrophobicContact CD1-CG1 4.16Å; L1300-V1340 HydrophobicContact CD1-CG2 3.83Å |
| 1301 | D | 93.8 | Very high | 90 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.1 | -81.2 | 16.4 | 0 | 0 | 0 | 111.6 | R1298 I1304 L1305 G1341 T1343 | R1298-D1301 PolarHBondContact O-N 3.41Å; R1298-D1301 VanDerWaalsContact O-N 3.1Å; D1301-I1304 PolarHBondContact O-N 3.11Å; D1301-L1305 WeakPolarHBondContact O-CB 3.47Å; D1301-L1305 VanDerWaalsContact O-CG 3.24Å; D1301-L1305 WeakPolarHBondContact O-CG 3.25Å; D1301-L1305 PolarHBondContact O-N 3.03Å; D1301-G1341 PolarHBondContact OD1-N 3.42Å; D1301-T1343 WeakPolarHBondContact OD2-CA 3.19Å; D1301-T1343 WeakPolarHBondContact OD2-CB 3.11Å; D1301-T1343 PolarHBondContact OD2-N 3.09Å; D1301-T1343 PolarHBondContact OD2-OG1 3.42Å |
| 1302 | I | 94.6 | Very high | 90.1 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -46 | 174.9 | -68 | 166.3 | 0 | 0 | 0 | 110.8 | L1294 R1298 R1299 L1300 I1304 L1305 R1306 | L1294-I1302 HydrophobicContact CB-CD1 3.98Å; L1294-I1302 HydrophobicContact CB-CG1 3.92Å; L1294-I1302 HydrophobicContact CD1-CG1 3.95Å; R1298-I1302 HydrophobicContact CB-CD1 4.19Å; R1298-I1302 HydrophobicContact CB-CG1 4.29Å; R1298-I1302 WeakPolarHBondContact O-CG1 3.47Å; R1298-I1302 PolarHBondContact O-N 3.33Å; R1299-I1302 PolarHBondContact O-N 3.5Å; L1300-I1302 VanDerWaalsContact C-N 3.31Å; L1300-I1302 PolarHBondContact O-N 3.32Å; I1302-I1304 VanDerWaalsContact C-N 3.34Å; I1302-I1304 PolarHBondContact O-N 2.72Å; I1302-L1305 PolarHBondContact O-N 3.38Å; I1302-R1306 WeakPolarHBondContact O-CB 3.3Å; I1302-R1306 WeakPolarHBondContact O-CG 3.33Å; I1302-R1306 PolarHBondContact O-N 2.73Å |
| 1303 | I | 95.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.3 | -46.9 | 177.4 | -67.7 | 165.8 | 0 | 0 | 0 | 110.1 | R1299 L1300 R1306 A1307 V1329 E1331 | R1299-I1303 HydrophobicContact CG-CD1 4.22Å; R1299-I1303 WeakPolarHBondContact O-CG1 3.32Å; R1299-I1303 PolarHBondContact O-N 2.99Å; R1299-I1303 VanDerWaalsContact O-N 3.17Å; L1300-I1303 PolarHBondContact O-N 3.05Å; I1303-R1306 PolarHBondContact O-N 3.16Å; I1303-A1307 PolarHBondContact O-N 3.38Å; I1303-V1329 HydrophobicContact CG2-CG1 4.23Å; I1303-E1331 HydrophobicContact CG2-CG 4.4Å |
| 1304 | I | 94.5 | Very high | 90.3 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | -178.1 | -59.1 | 157.1 | 0 | 0 | 0 | 111.2 | L1300 D1301 I1302 R1306 A1307 A1308 V1329 L1344 I1363 V1365 | L1300-I1304 WeakPolarHBondContact O-CD1 3.37Å; L1300-I1304 VanDerWaalsContact O-CG1 3.22Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.44Å; L1300-I1304 PolarHBondContact O-N 3.41Å; D1301-I1304 PolarHBondContact O-N 3.11Å; I1302-I1304 VanDerWaalsContact C-N 3.34Å; I1302-I1304 PolarHBondContact O-N 2.72Å; I1304-R1306 PolarHBondContact O-N 2.99Å; I1304-A1307 PolarHBondContact O-N 3.14Å; I1304-A1308 VanDerWaalsContact O-CB 3.29Å; I1304-A1308 WeakPolarHBondContact O-CB 3.37Å; I1304-A1308 PolarHBondContact O-N 3.26Å; I1304-V1329 HydrophobicContact CG1-CB 4.48Å; I1304-V1329 HydrophobicContact CG1-CG1 4.07Å; I1304-V1329 HydrophobicContact CG2-CG2 4.46Å; I1304-L1344 HydrophobicContact CG2-CD1 4.21Å; I1304-L1344 HydrophobicContact CG2-CD2 3.68Å; I1304-L1344 HydrophobicContact CG2-CG 4.47Å; I1304-I1363 HydrophobicContact CG2-CG2 4.08Å; I1304-V1365 HydrophobicContact CD1-CG1 3.92Å; I1304-V1365 HydrophobicContact CD1-CG2 4.02Å; I1304-V1365 HydrophobicContact CG1-CG1 4.35Å; I1304-V1365 HydrophobicContact CG1-CG2 4.19Å; I1304-V1365 HydrophobicContact CG2-CG2 4.05Å |
| 1305 | L | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.4 | -77.5 | 165.7 | 0 | 0 | 0 | 111.6 | T1287 F1290 A1291 L1294 D1301 I1302 A1307 A1308 H1309 T1343 L1344 A1347 | T1287-L1305 HydrophobicContact CG2-CB 4.22Å; T1287-L1305 HydrophobicContact CG2-CD2 3.77Å; F1290-L1305 HydrophobicContact CD1-CD1 3.95Å; F1290-L1305 HydrophobicContact CD1-CD2 4.36Å; F1290-L1305 HydrophobicContact CE1-CD1 3.95Å; A1291-L1305 HydrophobicContact CB-CB 4.11Å; A1291-L1305 HydrophobicContact CB-CD1 4.48Å; L1294-L1305 HydrophobicContact CD1-CD1 3.59Å; D1301-L1305 WeakPolarHBondContact O-CB 3.47Å; D1301-L1305 VanDerWaalsContact O-CG 3.24Å; D1301-L1305 WeakPolarHBondContact O-CG 3.25Å; D1301-L1305 PolarHBondContact O-N 3.03Å; I1302-L1305 PolarHBondContact O-N 3.38Å; L1305-A1307 VanDerWaalsContact C-N 3.32Å; L1305-A1307 PolarHBondContact O-N 2.73Å; L1305-A1308 PolarHBondContact O-N 2.86Å; L1305-H1309 PolarHBondContact O-N 3.25Å; L1305-T1343 HydrophobicContact CD1-CG2 4.48Å; L1305-L1344 HydrophobicContact CD2-CD1 3.96Å; L1305-L1344 HydrophobicContact CG-CD1 4.48Å; L1305-A1347 HydrophobicContact CD2-CB 3.72Å |
| 1306 | R | 94.8 | Very high | 90 | Very high | 125 Ų | 125 | 46.4 Ų | 46.4 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 177.2 | -74.4 | 177.9 | 172 | -174.1 | -0.6 | 111.9 | L1288 A1291 D1292 I1302 I1303 I1304 H1309 | L1288-R1306 HydrophobicContact CD2-CB 4.42Å; L1288-R1306 HydrophobicContact CD2-CG 4.12Å; A1291-R1306 HydrophobicContact CB-CG 4.08Å; D1292-R1306 IonicContact OD1-CZ 3.16Å; D1292-R1306 IonicContact OD1-NE 2.97Å; D1292-R1306 IonicContact OD1-NH2 3.31Å; D1292-R1306 PolarHBondContact OD1-NH2 2.96Å; I1302-R1306 WeakPolarHBondContact O-CB 3.3Å; I1302-R1306 WeakPolarHBondContact O-CG 3.33Å; I1302-R1306 PolarHBondContact O-N 2.73Å; I1303-R1306 PolarHBondContact O-N 3.16Å; I1304-R1306 PolarHBondContact O-N 2.99Å; R1306-H1309 PolarHBondContact O-ND1 3.01Å |
| 1307 | A | 92.6 | Very high | 89.8 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.5 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1303 I1304 L1305 V1327 V1329 | I1303-A1307 PolarHBondContact O-N 3.38Å; I1304-A1307 PolarHBondContact O-N 3.14Å; L1305-A1307 VanDerWaalsContact C-N 3.32Å; L1305-A1307 PolarHBondContact O-N 2.73Å; A1307-V1327 HydrophobicContact CB-CG1 4.09Å; A1307-V1329 HydrophobicContact CB-CG2 3.8Å |
| 1308 | A | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -90.6 | -5.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1304 L1305 K1310 L1311 I1312 V1327 I1363 | I1304-A1308 VanDerWaalsContact O-CB 3.29Å; I1304-A1308 WeakPolarHBondContact O-CB 3.37Å; I1304-A1308 PolarHBondContact O-N 3.26Å; L1305-A1308 PolarHBondContact O-N 2.86Å; A1308-K1310 VanDerWaalsContact C-N 3.34Å; A1308-K1310 PolarHBondContact O-N 2.96Å; A1308-L1311 WeakPolarHBondContact O-CB 3.42Å; A1308-L1311 PolarHBondContact O-N 3.4Å; A1308-I1312 HydrophobicContact CB-CD1 4Å; A1308-I1312 HydrophobicContact CB-CG1 4.39Å; A1308-I1312 PolarHBondContact O-N 3.33Å; A1308-I1312 VanDerWaalsContact O-N 3.1Å; A1308-V1327 HydrophobicContact CB-CG1 4.46Å; A1308-I1363 HydrophobicContact CB-CD1 3.68Å; A1308-I1363 HydrophobicContact CB-CG1 4.27Å |
| 1309 | H | 91.3 | Very high | 89 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 20% | 0.199 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.9 | -45.3 | -170.1 | 75 | -81.4 | 0 | 0 | 0 | 114.1 | T1287 L1288 L1305 R1306 L1311 I1312 D1313 | T1287-H1309 HydrophobicContact CG2-CB 3.91Å; L1288-H1309 HydrophobicContact CD2-CB 4.21Å; L1288-H1309 HydrophobicContact CG-CB 3.87Å; L1305-H1309 PolarHBondContact O-N 3.25Å; R1306-H1309 PolarHBondContact O-ND1 3.01Å; H1309-L1311 VanDerWaalsContact C-N 3.28Å; H1309-L1311 PolarHBondContact O-N 2.91Å; H1309-I1312 PolarHBondContact O-N 2.9Å; H1309-D1313 VanDerWaalsContact O-CB 3.24Å; H1309-D1313 WeakPolarHBondContact O-CB 3.46Å; H1309-D1313 PolarHBondContact O-N 2.88Å |
| 1310 | K | 87.7 | Confident | 88.4 | Confident | 153 Ų | 153 | 55.3 Ų | 55.3 | 67% | 0.665 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.6 | -36.9 | -180 | -61.6 | -171.7 | 178.7 | 178.3 | 0 | 112.7 | A1308 A1314 | A1308-K1310 VanDerWaalsContact C-N 3.34Å; A1308-K1310 PolarHBondContact O-N 2.96Å; K1310-A1314 WeakPolarHBondContact O-CB 3.47Å; K1310-A1314 PolarHBondContact O-N 3.11Å |
| 1311 | L | 91.1 | Very high | 87.8 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.1 | -40.3 | -178.8 | -178 | 155.3 | 0 | 0 | 0 | 111.3 | A1308 H1309 S1325 V1327 L1357 R1361 I1363 | A1308-L1311 WeakPolarHBondContact O-CB 3.42Å; A1308-L1311 PolarHBondContact O-N 3.4Å; H1309-L1311 VanDerWaalsContact C-N 3.28Å; H1309-L1311 PolarHBondContact O-N 2.91Å; L1311-S1325 WeakPolarHBondContact CD1-O 3.34Å; L1311-V1327 HydrophobicContact CB-CG2 4.19Å; L1311-V1327 HydrophobicContact CD1-CG2 3.82Å; L1311-L1357 HydrophobicContact CD2-CD1 3.95Å; L1311-L1357 HydrophobicContact CD2-CD2 3.79Å; L1311-R1361 HydrophobicContact CD1-CB 4.4Å; L1311-R1361 HydrophobicContact CD2-CB 4.09Å; L1311-R1361 HydrophobicContact CG-CB 4.28Å; L1311-R1361 PolarHBondContact O-NH1 3.43Å; L1311-I1363 HydrophobicContact CD2-CD1 4.36Å; L1311-I1363 HydrophobicContact CD2-CG1 4.18Å |
| 1312 | I | 90.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -75.2 | -44.9 | 179.4 | -62.7 | 173.8 | 0 | 0 | 0 | 110.9 | T1287 A1308 H1309 A1314 L1344 I1348 K1351 I1363 | T1287-I1312 HydrophobicContact CG2-CD1 4.26Å; T1287-I1312 WeakPolarHBondContact OG1-CG2 3.48Å; A1308-I1312 HydrophobicContact CB-CD1 4Å; A1308-I1312 HydrophobicContact CB-CG1 4.39Å; A1308-I1312 PolarHBondContact O-N 3.33Å; A1308-I1312 VanDerWaalsContact O-N 3.1Å; H1309-I1312 PolarHBondContact O-N 2.9Å; I1312-A1314 VanDerWaalsContact C-N 3.32Å; I1312-A1314 PolarHBondContact O-N 3.48Å; I1312-L1344 HydrophobicContact CD1-CD1 3.81Å; I1312-I1348 HydrophobicContact CD1-CG1 4.23Å; I1312-I1348 HydrophobicContact CG1-CG1 4.44Å; I1312-K1351 PolarHBondContact O-NZ 3.36Å; I1312-I1363 HydrophobicContact CD1-CD1 4.21Å; I1312-I1363 HydrophobicContact CG1-CD1 4.35Å |
| 1313 | D | 89.9 | Confident | 86 | Confident | 52 Ų | 52 | 66 Ų | 66 | 28% | 0.278 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.6 | -21.8 | -175 | -68.4 | -23.1 | 0 | 0 | 0 | 112.7 | T1287 H1309 K1351 | T1287-D1313 WeakPolarHBondContact CB-OD1 3.37Å; T1287-D1313 WeakPolarHBondContact CB-OD2 3.37Å; T1287-D1313 PolarHBondContact N-OD1 3.34Å; T1287-D1313 VanDerWaalsContact N-OD1 3.12Å; T1287-D1313 PolarHBondContact N-OD2 3.36Å; T1287-D1313 PolarHBondContact OG1-OD1 3.14Å; H1309-D1313 VanDerWaalsContact O-CB 3.24Å; H1309-D1313 WeakPolarHBondContact O-CB 3.46Å; H1309-D1313 PolarHBondContact O-N 2.88Å; D1313-K1351 PolarHBondContact O-NZ 3.09Å |
| 1314 | A | 86.5 | Confident | 85.4 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 12% | 0.116 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -59 | 134.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | K1310 I1312 L1320 K1351 R1361 | K1310-A1314 WeakPolarHBondContact O-CB 3.47Å; K1310-A1314 PolarHBondContact O-N 3.11Å; I1312-A1314 VanDerWaalsContact C-N 3.32Å; I1312-A1314 PolarHBondContact O-N 3.48Å; A1314-L1320 HydrophobicContact CB-CD1 4.44Å; A1314-L1320 HydrophobicContact CB-CD2 4.2Å; A1314-K1351 PolarHBondContact O-NZ 3.32Å; A1314-R1361 PolarHBondContact O-NH1 3.36Å; A1314-R1361 VanDerWaalsContact O-NH1 3.07Å |
| 1315 | P | 83.8 | Confident | 84.9 | Confident | 75 Ų | 75 | 69 Ų | 69 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -51.3 | 144.6 | 173.2 | -26.2 | 31.4 | 0 | 0 | 0 | 113.2 | N1317 I1318 R1361 | P1315-N1317 PolarHBondContact O-N 2.84Å; P1315-I1318 HydrophobicContact CB-CD1 4.1Å; P1315-I1318 HydrophobicContact CB-CG1 4.16Å; P1315-I1318 HydrophobicContact CG-CD1 3.78Å; P1315-I1318 HydrophobicContact CG-CG1 4.4Å; P1315-I1318 PolarHBondContact O-N 3.07Å; P1315-R1361 PolarHBondContact O-NH2 3.32Å | ||
| 1316 | E | 78.4 | Confident | 84.8 | Confident | 99 Ų | 99 | 70.8 Ų | 70.8 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.3 | -178.1 | -76.4 | 179.6 | -149.4 | 0 | 0 | 113.1 | I1318 F1352 | E1316-I1318 VanDerWaalsContact C-N 3.33Å; E1316-I1318 PolarHBondContact O-N 3.39Å; E1316-F1352 HydrophobicContact CG-CD1 3.63Å; E1316-F1352 HydrophobicContact CG-CE1 3.43Å; E1316-F1352 VanDerWaalsContact CG-CE1 3.43Å; E1316-F1352 VanDerWaalsContact OE1-CD1 3.32Å; E1316-F1352 WeakPolarHBondContact OE1-CD1 3.35Å |
| 1317 | N | 78.4 | Confident | 84.7 | Confident | 159 Ų | 159 | 66 Ų | 66 | 85% | 0.85 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.5 | -170.9 | -54.6 | -14.1 | 0 | 0 | 0 | 114.3 | P1315 | P1315-N1317 PolarHBondContact O-N 2.84Š|
| 1318 | I | 79.6 | Confident | 84.8 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 45% | 0.446 | 37% | 0.374 | S | S | . | . | trans | -93 | 127.3 | -179.6 | -68.1 | -176.5 | 0 | 0 | 0 | 110.2 | P1315 E1316 L1320 R1361 | P1315-I1318 HydrophobicContact CB-CD1 4.1Å; P1315-I1318 HydrophobicContact CB-CG1 4.16Å; P1315-I1318 HydrophobicContact CG-CD1 3.78Å; P1315-I1318 HydrophobicContact CG-CG1 4.4Å; P1315-I1318 PolarHBondContact O-N 3.07Å; E1316-I1318 VanDerWaalsContact C-N 3.33Å; E1316-I1318 PolarHBondContact O-N 3.39Å; I1318-L1320 HydrophobicContact CG2-CD2 4.45Å; I1318-L1320 PolarHBondContact O-N 3.16Å; I1318-R1361 PolarHBondContact O-NH2 3.24Å | ||
| 1319 | E | 74.3 | Confident | 84.9 | Confident | 177 Ų | 177 | 71.8 Ų | 71.8 | 83% | 0.827 | 38% | 0.378 | S | S | * | . | trans | -75 | 114.6 | 165.8 | -78.3 | -172 | 158 | 0 | 0 | 109.8 | ||||
| 1320 | L | 79.5 | Confident | 85.1 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | trans | -81.8 | 152.7 | 171.7 | -65.1 | 173.4 | 0 | 0 | 0 | 109.5 | A1314 I1318 E1324 S1325 R1361 | A1314-L1320 HydrophobicContact CB-CD1 4.44Å; A1314-L1320 HydrophobicContact CB-CD2 4.2Å; I1318-L1320 HydrophobicContact CG2-CD2 4.45Å; I1318-L1320 PolarHBondContact O-N 3.16Å; L1320-E1324 HydrophobicContact CB-CB 4.1Å; L1320-S1325 PolarHBondContact O-OG 3Å; L1320-R1361 HydrophobicContact CD1-CG 4.3Å | ||
| 1321 | S | 79.8 | Confident | 85.5 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | trans | -60.5 | 154.8 | 171.7 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | S1323 E1324 S1325 | S1321-S1323 PolarHBondContact O-N 2.95Å; S1321-S1323 VanDerWaalsContact O-N 3.1Å; S1321-S1323 PolarHBondContact OG-OG 3.33Å; S1321-E1324 WeakPolarHBondContact CB-OE2 3.37Å; S1321-E1324 PolarHBondContact N-OE2 3.09Å; S1321-E1324 PolarHBondContact O-N 3.39Å; S1321-E1324 WeakPolarHBondContact OG-CB 3.38Å; S1321-E1324 VanDerWaalsContact OG-CD 3.23Å; S1321-E1324 WeakPolarHBondContact OG-CG 3Å; S1321-E1324 PolarHBondContact OG-N 3.34Å; S1321-E1324 PolarHBondContact OG-OE2 3.25Å; S1321-S1325 WeakPolarHBondContact O-CB 3.48Å; S1321-S1325 PolarHBondContact O-N 3.19Å; S1321-S1325 PolarHBondContact O-OG 2.82Å | ||
| 1322 | P | 76.4 | Confident | 85.6 | Confident | 119 Ų | 119 | 74 Ų | 74 | 77% | 0.773 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.1 | 179 | -27.5 | 34.4 | 0 | 0 | 0 | 113.7 | ||
| 1323 | S | 75.9 | Confident | 85.8 | Confident | 97 Ų | 97 | 74.3 Ų | 74.3 | 68% | 0.678 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -30.5 | 175.5 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | S1321 | S1321-S1323 PolarHBondContact O-N 2.95Å; S1321-S1323 VanDerWaalsContact O-N 3.1Å; S1321-S1323 PolarHBondContact OG-OG 3.33Å |
| 1324 | E | 80.9 | Confident | 85.8 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 50% | 0.5 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -16.2 | 177.5 | -69.4 | 168.3 | 143 | 0 | 0 | 112.7 | L1320 S1321 V1326 | L1320-E1324 HydrophobicContact CB-CB 4.1Å; S1321-E1324 WeakPolarHBondContact CB-OE2 3.37Å; S1321-E1324 PolarHBondContact N-OE2 3.09Å; S1321-E1324 PolarHBondContact O-N 3.39Å; S1321-E1324 WeakPolarHBondContact OG-CB 3.38Å; S1321-E1324 VanDerWaalsContact OG-CD 3.23Å; S1321-E1324 WeakPolarHBondContact OG-CG 3Å; S1321-E1324 PolarHBondContact OG-N 3.34Å; S1321-E1324 PolarHBondContact OG-OE2 3.25Å; E1324-V1326 VanDerWaalsContact C-N 3.26Å; E1324-V1326 PolarHBondContact O-N 3.11Å |
| 1325 | S | 85.5 | Confident | 86 | Confident | 13 Ų | 13 | 74 Ų | 74 | 9% | 0.091 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -72.7 | -18.7 | 179.3 | -57.5 | 0 | 0 | 0 | 0 | 112.8 | L1311 L1320 S1321 R1361 R1362 | L1311-S1325 WeakPolarHBondContact CD1-O 3.34Å; L1320-S1325 PolarHBondContact O-OG 3Å; S1321-S1325 WeakPolarHBondContact O-CB 3.48Å; S1321-S1325 PolarHBondContact O-N 3.19Å; S1321-S1325 PolarHBondContact O-OG 2.82Å; S1325-R1361 CarbonylContact O-C 3.5Å; S1325-R1361 VanDerWaalsContact O-CA 3.27Å; S1325-R1361 WeakPolarHBondContact O-CA 3.42Å; S1325-R1362 PolarHBondContact O-N 3.15Å |
| 1326 | V | 91 | Very high | 86.3 | Confident | 38 Ų | 38 | 73 Ų | 73 | 23% | 0.23 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.3 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | E1324 Y1328 R1362 M1364 | E1324-V1326 VanDerWaalsContact C-N 3.26Å; E1324-V1326 PolarHBondContact O-N 3.11Å; V1326-Y1328 HydrophobicContact CB-CE2 4.05Å; V1326-Y1328 HydrophobicContact CG1-CD2 4.05Å; V1326-Y1328 HydrophobicContact CG1-CE1 4.43Å; V1326-Y1328 HydrophobicContact CG1-CE2 3.43Å; V1326-Y1328 VanDerWaalsContact CG1-CE2 3.43Å; V1326-R1362 VanDerWaalsContact CA-O 3.31Å; V1326-R1362 WeakPolarHBondContact CA-O 3.45Å; V1326-R1362 HydrophobicContact CG1-CB 4.35Å; V1326-R1362 HydrophobicContact CG2-CB 4.46Å; V1326-M1364 HydrophobicContact CG1-CG 3.91Å |
| 1327 | V | 93.3 | Very high | 87 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 132.2 | 173.8 | 173 | 0 | 0 | 0 | 0 | 109.3 | A1307 A1308 L1311 V1329 R1362 M1364 | A1307-V1327 HydrophobicContact CB-CG1 4.09Å; A1308-V1327 HydrophobicContact CB-CG1 4.46Å; L1311-V1327 HydrophobicContact CB-CG2 4.19Å; L1311-V1327 HydrophobicContact CD1-CG2 3.82Å; V1327-V1329 HydrophobicContact CG1-CG2 4.2Å; V1327-R1362 PolarHBondContact N-O 3.32Å; V1327-M1364 PolarHBondContact O-N 2.81Å |
| 1328 | Y | 93.9 | Very high | 87.7 | Confident | 159 Ų | 159 | 63.4 Ų | 63.4 | 62% | 0.624 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.3 | 175.7 | -68.4 | -90.3 | 0 | 0 | 0 | 110.4 | V1326 M1364 | V1326-Y1328 HydrophobicContact CB-CE2 4.05Å; V1326-Y1328 HydrophobicContact CG1-CD2 4.05Å; V1326-Y1328 HydrophobicContact CG1-CE1 4.43Å; V1326-Y1328 HydrophobicContact CG1-CE2 3.43Å; V1326-Y1328 VanDerWaalsContact CG1-CE2 3.43Å; Y1328-M1364 CarbonylContact C-O 3.56Å; Y1328-M1364 WeakPolarHBondContact CA-O 3.47Å; Y1328-M1364 HydrophobicContact CD1-CB 3.56Å; Y1328-M1364 HydrophobicContact CD1-CG 4.09Å; Y1328-M1364 HydrophobicContact CE1-CB 3.74Å; Y1328-M1364 HydrophobicContact CE1-CG 3.74Å; Y1328-M1364 HydrophobicContact CG-CB 4.3Å |
| 1329 | V | 95.2 | Very high | 88.5 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.3 | 175.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | I1303 I1304 A1307 V1327 E1331 M1364 V1365 N1366 | I1303-V1329 HydrophobicContact CG2-CG1 4.23Å; I1304-V1329 HydrophobicContact CG1-CB 4.48Å; I1304-V1329 HydrophobicContact CG1-CG1 4.07Å; I1304-V1329 HydrophobicContact CG2-CG2 4.46Å; A1307-V1329 HydrophobicContact CB-CG2 3.8Å; V1327-V1329 HydrophobicContact CG1-CG2 4.2Å; V1329-E1331 HydrophobicContact CG1-CG 4.27Å; V1329-M1364 PolarHBondContact N-O 3.25Å; V1329-V1365 CarbonylContact O-C 3.53Å; V1329-V1365 WeakPolarHBondContact O-CA 3.29Å; V1329-N1366 PolarHBondContact O-N 3.25Å |
| 1330 | T | 96.2 | Very high | 89.5 | Confident | 102 Ų | 102 | 51.1 Ų | 51.1 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122.8 | 178.2 | -57 | 0 | 0 | 0 | 0 | 110.1 | N1366 | T1330-N1366 VanDerWaalsContact CA-O 3.24Å; T1330-N1366 WeakPolarHBondContact CA-O 3.26Å; T1330-N1366 HydrophobicContact CG2-CB 4.49Å |
| 1331 | E | 95.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 172.3 | -173.3 | -81.5 | -62.8 | 155.9 | 0 | 0 | 113.1 | R1299 L1300 I1303 V1329 N1366 V1367 S1368 | R1299-E1331 IonicContact NH1-OE2 3.91Å; L1300-E1331 HydrophobicContact CD2-CB 3.61Å; L1300-E1331 HydrophobicContact CD2-CG 3.93Å; I1303-E1331 HydrophobicContact CG2-CG 4.4Å; V1329-E1331 HydrophobicContact CG1-CG 4.27Å; E1331-N1366 PolarHBondContact N-O 3.17Å; E1331-V1367 HydrophobicContact CB-CG1 4.2Å; E1331-V1367 VanDerWaalsContact O-CA 3.28Å; E1331-V1367 WeakPolarHBondContact O-CA 3.47Å; E1331-S1368 PolarHBondContact O-N 2.85Å |
| 1332 | S | 93.2 | Very high | 91 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 53% | 0.531 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 150 | 170.5 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | R1299 S1368 | R1299-S1332 PolarHBondContact NH2-O 3.21Å; S1332-S1368 WeakPolarHBondContact CA-O 3.24Å |
| 1333 | I | 93.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.046 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.5 | -177 | -165 | 170.2 | 0 | 0 | 0 | 112.3 | L1300 D1337 V1340 V1367 S1368 G1369 S1370 A1371 F1375 L1387 | L1300-I1333 HydrophobicContact CD1-CB 4.18Å; L1300-I1333 HydrophobicContact CD1-CD1 3.92Å; L1300-I1333 HydrophobicContact CD1-CG1 3.81Å; I1333-D1337 HydrophobicContact CD1-CB 4.23Å; I1333-D1337 HydrophobicContact CG1-CB 3.67Å; I1333-V1340 HydrophobicContact CD1-CG2 3.91Å; I1333-V1367 HydrophobicContact CB-CB 4.33Å; I1333-V1367 HydrophobicContact CG2-CB 4.11Å; I1333-V1367 HydrophobicContact CG2-CG2 4.36Å; I1333-S1368 PolarHBondContact N-O 3.01Å; I1333-G1369 WeakPolarHBondContact O-CA 3.25Å; I1333-S1370 PolarHBondContact O-N 2.81Å; I1333-A1371 HydrophobicContact CD1-CB 3.76Å; I1333-F1375 HydrophobicContact CD1-CD2 3.91Å; I1333-F1375 HydrophobicContact CD1-CE2 3.69Å; I1333-L1387 HydrophobicContact CG2-CD1 3.7Å |
| 1334 | N | 91.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 37.4 Ų | 37.4 | 32% | 0.321 | 20% | 0.198 | S | C | . | . | trans | -133 | 176.2 | 170.2 | 65.5 | 52.4 | 0 | 0 | 0 | 111.5 | S1336 D1337 S1370 | N1334-S1336 PolarHBondContact O-N 3.36Å; N1334-S1336 VanDerWaalsContact O-N 3.12Å; N1334-S1336 VanDerWaalsContact OD1-CB 3.24Å; N1334-S1336 WeakPolarHBondContact OD1-CB 3.39Å; N1334-S1336 PolarHBondContact OD1-N 3.35Å; N1334-D1337 PolarHBondContact N-OD2 3.41Å; N1334-D1337 WeakPolarHBondContact O-CB 3.3Å; N1334-D1337 PolarHBondContact O-N 3.38Å; N1334-S1370 CarbonylContact C-O 3.03Å; N1334-S1370 WeakPolarHBondContact CA-O 3.47Å; N1334-S1370 VanDerWaalsContact O-O 3.12Å | ||
| 1335 | N | 91.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.7 | -172.3 | 77.5 | -57.4 | 0 | 0 | 0 | 113.7 | R50 E397 V398 G399 D1337 S1370 G1372 | R50-N1335 PolarHBondContact O-ND2 3.1Å; E397-N1335 PolarHBondContact OE2-ND2 2.87Å; V398-N1335 WeakPolarHBondContact O-CB 3.4Å; G399-N1335 PolarHBondContact O-OD1 3.01Å; N1335-D1337 VanDerWaalsContact C-N 3.35Å; N1335-S1370 PolarHBondContact N-O 3.27Å; N1335-G1372 WeakPolarHBondContact O-CA 3.36Å |
| 1336 | S | 89.2 | Confident | 93.9 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -22 | 176.2 | -50.6 | 0 | 0 | 0 | 0 | 112.5 | N1334 R1338 | N1334-S1336 PolarHBondContact O-N 3.36Å; N1334-S1336 VanDerWaalsContact O-N 3.12Å; N1334-S1336 VanDerWaalsContact OD1-CB 3.24Å; N1334-S1336 WeakPolarHBondContact OD1-CB 3.39Å; N1334-S1336 PolarHBondContact OD1-N 3.35Å; S1336-R1338 PolarHBondContact O-N 2.84Å |
| 1337 | D | 92.5 | Very high | 94 | Very high | 18 Ų | 18 | 32 Ų | 32 | 10% | 0.096 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -78 | 95.1 | 173.4 | -69.6 | -52.4 | 0 | 0 | 0 | 109.6 | R1299 L1300 I1333 N1334 N1335 V1340 G1372 | R1299-D1337 IonicContact NE-OD1 3.17Å; R1299-D1337 IonicContact NH2-OD1 2.74Å; R1299-D1337 IonicContact NH2-OD2 3.24Å; R1299-D1337 PolarHBondContact NH2-OD2 3.25Å; L1300-D1337 HydrophobicContact CD1-CB 4.03Å; I1333-D1337 HydrophobicContact CD1-CB 4.23Å; I1333-D1337 HydrophobicContact CG1-CB 3.67Å; N1334-D1337 PolarHBondContact N-OD2 3.41Å; N1334-D1337 WeakPolarHBondContact O-CB 3.3Å; N1334-D1337 PolarHBondContact O-N 3.38Å; N1335-D1337 VanDerWaalsContact C-N 3.35Å; D1337-V1340 HydrophobicContact CB-CG2 4.22Å; D1337-G1372 PolarHBondContact O-N 2.96Å |
| 1338 | R | 94.2 | Very high | 94 | Very high | 39 Ų | 39 | 30.9 Ų | 30.9 | 15% | 0.147 | 16% | 0.164 | C | C | . | . | trans | -103.1 | 150.5 | -173.7 | -61.9 | 172.6 | -59.2 | 152.9 | -6.5 | 112.1 | Y1056 S1336 V1340 | Y1056-R1338 HydrophobicContact CD1-CB 4.25Å; Y1056-R1338 HydrophobicContact CE1-CB 3.64Å; S1336-R1338 PolarHBondContact O-N 2.84Å; R1338-V1340 VanDerWaalsContact C-N 3.26Å; R1338-V1340 PolarHBondContact O-N 3.06Å | ||
| 1339 | T | 95.5 | Very high | 94 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 57.1 | 35.5 | 173.4 | -32.3 | 0 | 0 | 0 | 0 | 114.5 | Q1053 Y1056 D1057 A1060 T1342 Q1373 S1374 A1377 | Q1053-T1339 PolarHBondContact NE2-OG1 3.38Å; Y1056-T1339 VanDerWaalsContact CD1-OG1 3.23Å; Y1056-T1339 WeakPolarHBondContact CD1-OG1 3.25Å; Y1056-T1339 WeakPolarHBondContact CE1-OG1 3.17Å; D1057-T1339 HydrophobicContact CB-CG2 4.1Å; D1057-T1339 WeakPolarHBondContact OD1-CG2 3.44Å; D1057-T1339 PolarHBondContact OD1-OG1 3Å; A1060-T1339 HydrophobicContact CB-CG2 3.87Å; T1339-T1342 HydrophobicContact CG2-CG2 4Å; T1339-T1342 WeakPolarHBondContact CG2-OG1 3.45Å; T1339-T1342 PolarHBondContact O-N 2.82Å; T1339-T1342 PolarHBondContact O-OG1 3.46Å; T1339-Q1373 PolarHBondContact N-O 3.28Å; T1339-S1374 WeakPolarHBondContact CA-O 3.4Å; T1339-A1377 HydrophobicContact CG2-CB 4.31Å |
| 1340 | V | 96.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 4% | 0.036 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 133.4 | -179 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | L1300 I1333 D1337 R1338 F1375 G1376 | L1300-V1340 HydrophobicContact CB-CG1 4.06Å; L1300-V1340 HydrophobicContact CB-CG2 4.39Å; L1300-V1340 HydrophobicContact CD1-CG1 4.16Å; L1300-V1340 HydrophobicContact CD1-CG2 3.83Å; I1333-V1340 HydrophobicContact CD1-CG2 3.91Å; D1337-V1340 HydrophobicContact CB-CG2 4.22Å; R1338-V1340 VanDerWaalsContact C-N 3.26Å; R1338-V1340 PolarHBondContact O-N 3.06Å; V1340-F1375 HydrophobicContact CB-CD2 3.97Å; V1340-F1375 HydrophobicContact CB-CE2 4.11Å; V1340-F1375 HydrophobicContact CG1-CE2 4.27Å; V1340-G1376 WeakPolarHBondContact O-CA 3.46Å; V1340-G1376 PolarHBondContact O-N 2.63Å |
| 1341 | G | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | -12.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1301 S1345 | D1301-G1341 PolarHBondContact OD1-N 3.42Å; G1341-S1345 PolarHBondContact O-N 3.22Å; G1341-S1345 VanDerWaalsContact O-N 3.13Å; G1341-S1345 PolarHBondContact O-OG 3.3Å |
| 1342 | T | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.9 | -42.2 | -175.4 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | A1060 A1061 T1339 L1344 S1345 Y1346 A1377 F1378 | A1060-T1342 HydrophobicContact CB-CG2 3.89Å; A1061-T1342 HydrophobicContact CB-CG2 3.76Å; T1339-T1342 HydrophobicContact CG2-CG2 4Å; T1339-T1342 WeakPolarHBondContact CG2-OG1 3.45Å; T1339-T1342 PolarHBondContact O-N 2.82Å; T1339-T1342 PolarHBondContact O-OG1 3.46Å; T1342-L1344 VanDerWaalsContact C-N 3.3Å; T1342-L1344 PolarHBondContact O-N 2.96Å; T1342-S1345 WeakPolarHBondContact O-CA 3.36Å; T1342-S1345 WeakPolarHBondContact O-CB 3.47Å; T1342-S1345 PolarHBondContact O-N 3.03Å; T1342-Y1346 PolarHBondContact O-N 2.82Å; T1342-A1377 WeakPolarHBondContact CB-O 3.32Å; T1342-A1377 PolarHBondContact OG1-O 3.2Å; T1342-F1378 HydrophobicContact CG2-CB 4.38Å; T1342-F1378 HydrophobicContact CG2-CD2 3.92Å |
| 1343 | T | 94.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.3 | -33.9 | 179 | -37.9 | 0 | 0 | 0 | 0 | 110.9 | A1060 P1063 F1290 L1294 D1301 L1305 S1345 Y1346 A1347 | A1060-T1343 WeakPolarHBondContact O-CA 3.4Å; P1063-T1343 HydrophobicContact CG-CG2 4.01Å; F1290-T1343 HydrophobicContact CE1-CG2 3.84Å; F1290-T1343 HydrophobicContact CZ-CG2 3.75Å; L1294-T1343 HydrophobicContact CD1-CG2 3.67Å; L1294-T1343 HydrophobicContact CD2-CG2 3.72Å; L1294-T1343 HydrophobicContact CG-CG2 4.37Å; D1301-T1343 WeakPolarHBondContact OD2-CA 3.19Å; D1301-T1343 WeakPolarHBondContact OD2-CB 3.11Å; D1301-T1343 PolarHBondContact OD2-N 3.09Å; D1301-T1343 PolarHBondContact OD2-OG1 3.42Å; L1305-T1343 HydrophobicContact CD1-CG2 4.48Å; T1343-S1345 VanDerWaalsContact C-N 3.3Å; T1343-S1345 PolarHBondContact O-N 3.23Å; T1343-Y1346 WeakPolarHBondContact O-CB 3.31Å; T1343-Y1346 PolarHBondContact O-N 2.99Å; T1343-A1347 PolarHBondContact O-N 3.47Å |
| 1344 | L | 94.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.1 | -44.9 | 168 | 172.8 | 66.1 | 0 | 0 | 0 | 111.4 | I1304 L1305 I1312 T1342 Y1346 A1347 I1348 I1363 V1383 | I1304-L1344 HydrophobicContact CG2-CD1 4.21Å; I1304-L1344 HydrophobicContact CG2-CD2 3.68Å; I1304-L1344 HydrophobicContact CG2-CG 4.47Å; L1305-L1344 HydrophobicContact CD2-CD1 3.96Å; L1305-L1344 HydrophobicContact CG-CD1 4.48Å; I1312-L1344 HydrophobicContact CD1-CD1 3.81Å; T1342-L1344 VanDerWaalsContact C-N 3.3Å; T1342-L1344 PolarHBondContact O-N 2.96Å; L1344-Y1346 VanDerWaalsContact C-N 3.3Å; L1344-Y1346 PolarHBondContact O-N 3.4Å; L1344-A1347 PolarHBondContact O-N 3.37Å; L1344-I1348 HydrophobicContact CD1-CD1 4.3Å; L1344-I1348 HydrophobicContact CG-CD1 4.15Å; L1344-I1348 PolarHBondContact O-N 3.43Å; L1344-I1363 HydrophobicContact CD1-CD1 3.99Å; L1344-I1363 HydrophobicContact CD2-CD1 4.42Å; L1344-I1363 HydrophobicContact CD2-CG2 4.41Å; L1344-V1383 HydrophobicContact CD2-CG1 3.7Å; L1344-V1383 HydrophobicContact CD2-CG2 4.05Å; L1344-V1383 HydrophobicContact CG-CG2 4.46Å |
| 1345 | S | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -32.1 | -179.2 | -60.8 | 0 | 0 | 0 | 0 | 112.4 | G1341 T1342 T1343 I1348 S1349 F1378 L1379 A1380 | G1341-S1345 PolarHBondContact O-N 3.22Å; G1341-S1345 VanDerWaalsContact O-N 3.13Å; G1341-S1345 PolarHBondContact O-OG 3.3Å; T1342-S1345 WeakPolarHBondContact O-CA 3.36Å; T1342-S1345 WeakPolarHBondContact O-CB 3.47Å; T1342-S1345 PolarHBondContact O-N 3.03Å; T1343-S1345 VanDerWaalsContact C-N 3.3Å; T1343-S1345 PolarHBondContact O-N 3.23Å; S1345-I1348 PolarHBondContact O-N 2.75Å; S1345-S1349 WeakPolarHBondContact O-CB 3.48Å; S1345-S1349 PolarHBondContact O-N 2.9Å; S1345-S1349 PolarHBondContact O-OG 3.12Å; S1345-F1378 WeakPolarHBondContact CB-O 3.03Å; S1345-F1378 PolarHBondContact OG-O 3.12Å; S1345-L1379 WeakPolarHBondContact OG-CA 3.38Å; S1345-A1380 PolarHBondContact OG-N 3.14Å |
| 1346 | Y | 94.5 | Very high | 92.4 | Very high | 30 Ų | 30 | 26.1 Ų | 26.1 | 12% | 0.118 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 168.7 | 168.7 | -97.5 | 0 | 0 | 0 | 111.7 | A994 A1061 N1062 F1064 F1290 T1342 T1343 L1344 I1348 S1349 A1350 | A994-Y1346 HydrophobicContact CB-CD2 3.82Å; A994-Y1346 HydrophobicContact CB-CE2 4.1Å; A1061-Y1346 WeakPolarHBondContact O-CB 3.43Å; A1061-Y1346 WeakPolarHBondContact O-CD2 3.21Å; N1062-Y1346 HydrophobicContact CB-CD2 4.19Å; N1062-Y1346 HydrophobicContact CB-CE2 4.26Å; F1064-Y1346 HydrophobicContact CD2-CE1 4.27Å; F1064-Y1346 AromaticContact CD2-CZ 3.91Å; F1064-Y1346 VanDerWaalsContact CD2-OH 3.25Å; F1064-Y1346 WeakPolarHBondContact CD2-OH 3.48Å; F1064-Y1346 HydrophobicContact CE2-CE1 4.01Å; F1290-Y1346 AromaticContact CE1-CD1 3.79Å; F1290-Y1346 HydrophobicContact CE1-CD1 3.79Å; F1290-Y1346 HydrophobicContact CE1-CE1 4.24Å; F1290-Y1346 AromaticContact CE2-CD1 3.99Å; F1290-Y1346 HydrophobicContact CE2-CD1 3.99Å; F1290-Y1346 AromaticContact CE2-CE1 3.74Å; F1290-Y1346 HydrophobicContact CE2-CE1 3.74Å; F1290-Y1346 AromaticContact CZ-CD1 3.31Å; F1290-Y1346 HydrophobicContact CZ-CD1 3.31Å; F1290-Y1346 AromaticContact CZ-CE1 3.57Å; F1290-Y1346 HydrophobicContact CZ-CE1 3.57Å; F1290-Y1346 HydrophobicContact CZ-CG 4.46Å; T1342-Y1346 PolarHBondContact O-N 2.82Å; T1343-Y1346 WeakPolarHBondContact O-CB 3.31Å; T1343-Y1346 PolarHBondContact O-N 2.99Å; L1344-Y1346 VanDerWaalsContact C-N 3.3Å; L1344-Y1346 PolarHBondContact O-N 3.4Å; Y1346-I1348 PolarHBondContact O-N 3.45Å; Y1346-S1349 PolarHBondContact O-N 3.21Å; Y1346-A1350 HydrophobicContact CE2-CB 4.29Å; Y1346-A1350 VanDerWaalsContact O-CB 3.24Å; Y1346-A1350 WeakPolarHBondContact O-CB 3.35Å; Y1346-A1350 PolarHBondContact O-N 3.4Å |
| 1347 | A | 91.6 | Very high | 92.4 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 12% | 0.116 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.2 | -37.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1290 L1305 T1343 L1344 | F1290-A1347 HydrophobicContact CD1-CB 4.31Å; F1290-A1347 HydrophobicContact CE1-CB 4.23Å; L1305-A1347 HydrophobicContact CD2-CB 3.72Å; T1343-A1347 PolarHBondContact O-N 3.47Å; L1344-A1347 PolarHBondContact O-N 3.37Å |
| 1348 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.9 | -55.1 | 175.2 | -65.1 | 167.4 | 0 | 0 | 0 | 110.5 | I1312 L1344 S1345 Y1346 A1350 K1351 F1352 L1357 I1363 A1380 V1383 | I1312-I1348 HydrophobicContact CD1-CG1 4.23Å; I1312-I1348 HydrophobicContact CG1-CG1 4.44Å; L1344-I1348 HydrophobicContact CD1-CD1 4.3Å; L1344-I1348 HydrophobicContact CG-CD1 4.15Å; L1344-I1348 PolarHBondContact O-N 3.43Å; S1345-I1348 PolarHBondContact O-N 2.75Å; Y1346-I1348 PolarHBondContact O-N 3.45Å; I1348-A1350 PolarHBondContact O-N 3.45Å; I1348-K1351 PolarHBondContact O-N 2.81Å; I1348-K1351 VanDerWaalsContact O-N 3.17Å; I1348-F1352 HydrophobicContact CG2-CD2 3.96Å; I1348-F1352 WeakPolarHBondContact O-CD2 3.4Å; I1348-F1352 PolarHBondContact O-N 3.2Å; I1348-L1357 HydrophobicContact CD1-CD1 3.99Å; I1348-L1357 HydrophobicContact CD1-CG 4.1Å; I1348-L1357 HydrophobicContact CG1-CD2 4.35Å; I1348-L1357 HydrophobicContact CG1-CG 4.25Å; I1348-L1357 HydrophobicContact CG2-CD2 4.4Å; I1348-L1357 HydrophobicContact CG2-CG 4Å; I1348-I1363 HydrophobicContact CD1-CD1 4.3Å; I1348-A1380 HydrophobicContact CB-CB 4.23Å; I1348-A1380 HydrophobicContact CG2-CB 3.94Å; I1348-V1383 HydrophobicContact CD1-CG2 3.28Å |
| 1349 | S | 93.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -29.3 | -173.9 | -73.5 | 0 | 0 | 0 | 0 | 113.7 | S990 H995 S1345 Y1346 K1351 A1353 | S990-S1349 WeakPolarHBondContact CB-OG 3.25Å; S990-S1349 PolarHBondContact OG-OG 3.06Å; H995-S1349 PolarHBondContact CE1-O 2.86Å; S1345-S1349 WeakPolarHBondContact O-CB 3.48Å; S1345-S1349 PolarHBondContact O-N 2.9Å; S1345-S1349 PolarHBondContact O-OG 3.12Å; Y1346-S1349 PolarHBondContact O-N 3.21Å; S1349-K1351 PolarHBondContact O-N 2.83Å; S1349-A1353 WeakPolarHBondContact O-CA 3.49Å; S1349-A1353 PolarHBondContact O-N 2.93Å |
| 1350 | A | 89.2 | Confident | 91.3 | Very high | 42 Ų | 42 | 34 Ų | 34 | 35% | 0.347 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.9 | -33.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | Y1346 I1348 | Y1346-A1350 HydrophobicContact CE2-CB 4.29Å; Y1346-A1350 VanDerWaalsContact O-CB 3.24Å; Y1346-A1350 WeakPolarHBondContact O-CB 3.35Å; Y1346-A1350 PolarHBondContact O-N 3.4Å; I1348-A1350 PolarHBondContact O-N 3.45Å |
| 1351 | K | 87.7 | Confident | 91 | Very high | 72 Ų | 72 | 33.8 Ų | 33.8 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -88 | -53.9 | 178.9 | -172.6 | 168 | 179.5 | 176.5 | 0 | 112.1 | K970 I1312 D1313 A1314 I1348 S1349 | K970-K1351 PolarHBondContact NZ-O 2.73Å; I1312-K1351 PolarHBondContact O-NZ 3.36Å; D1313-K1351 PolarHBondContact O-NZ 3.09Å; A1314-K1351 PolarHBondContact O-NZ 3.32Å; I1348-K1351 PolarHBondContact O-N 2.81Å; I1348-K1351 VanDerWaalsContact O-N 3.17Å; S1349-K1351 PolarHBondContact O-N 2.83Å |
| 1352 | F | 89.4 | Confident | 90.8 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -97.8 | -2.4 | -169 | -51.8 | -73.9 | 0 | 0 | 0 | 114.2 | E1316 I1348 G1356 L1357 | E1316-F1352 HydrophobicContact CG-CD1 3.63Å; E1316-F1352 HydrophobicContact CG-CE1 3.43Å; E1316-F1352 VanDerWaalsContact CG-CE1 3.43Å; E1316-F1352 VanDerWaalsContact OE1-CD1 3.32Å; E1316-F1352 WeakPolarHBondContact OE1-CD1 3.35Å; I1348-F1352 HydrophobicContact CG2-CD2 3.96Å; I1348-F1352 WeakPolarHBondContact O-CD2 3.4Å; I1348-F1352 PolarHBondContact O-N 3.2Å; F1352-G1356 WeakPolarHBondContact CB-O 3.19Å; F1352-G1356 WeakPolarHBondContact CG-O 3.29Å; F1352-L1357 HydrophobicContact CD2-CD2 4.27Å; F1352-L1357 HydrophobicContact CE2-CD2 3.78Å; F1352-L1357 HydrophobicContact CZ-CD2 4.39Å |
| 1353 | A | 89.3 | Confident | 90.8 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 14% | 0.14 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | 53.6 | -142.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S991 S1349 K1355 G1356 | S991-A1353 WeakPolarHBondContact OG-CA 3.34Å; S1349-A1353 WeakPolarHBondContact O-CA 3.49Å; S1349-A1353 PolarHBondContact O-N 2.93Å; A1353-K1355 PolarHBondContact O-N 3.45Å; A1353-G1356 PolarHBondContact O-N 2.88Å |
| 1354 | E | 88.6 | Confident | 90.9 | Very high | 69 Ų | 69 | 41.7 Ų | 41.7 | 32% | 0.322 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -66.9 | -19.1 | -176.3 | -68.2 | -173.4 | 169.1 | 0 | 0 | 114.3 | P966 Y969 N989 S991 G1356 | P966-E1354 WeakPolarHBondContact CG-OE1 3.45Å; P966-E1354 VanDerWaalsContact CG-OE2 3.31Å; P966-E1354 WeakPolarHBondContact CG-OE2 3.38Å; Y969-E1354 HydrophobicContact CE2-CG 4.22Å; Y969-E1354 WeakPolarHBondContact CE2-OE1 3.39Å; N989-E1354 PolarHBondContact ND2-OE1 3.11Å; S991-E1354 VanDerWaalsContact CB-CG 3.49Å; S991-E1354 PolarHBondContact OG-N 2.8Å; E1354-G1356 VanDerWaalsContact C-N 3.27Å; E1354-G1356 PolarHBondContact O-N 3.02Å |
| 1355 | K | 88.6 | Confident | 91 | Very high | 172 Ų | 172 | 41.8 Ų | 41.8 | 75% | 0.748 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -69.7 | -25.4 | 179.5 | -65.2 | -178 | -178.5 | 178.1 | 0 | 112.9 | A1353 | A1353-K1355 PolarHBondContact O-N 3.45Š|
| 1356 | G | 89.8 | Confident | 91 | Very high | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 22% | 0.217 | C | C | . | . | trans | 61.2 | -157 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1352 A1353 E1354 | F1352-G1356 WeakPolarHBondContact CB-O 3.19Å; F1352-G1356 WeakPolarHBondContact CG-O 3.29Å; A1353-G1356 PolarHBondContact O-N 2.88Å; E1354-G1356 VanDerWaalsContact C-N 3.27Å; E1354-G1356 PolarHBondContact O-N 3.02Å | ||
| 1357 | L | 91.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -62.8 | 144.7 | -179.6 | -71.6 | 171.9 | 0 | 0 | 0 | 111.2 | L1311 I1348 F1352 R1361 I1363 H1381 | L1311-L1357 HydrophobicContact CD2-CD1 3.95Å; L1311-L1357 HydrophobicContact CD2-CD2 3.79Å; I1348-L1357 HydrophobicContact CD1-CD1 3.99Å; I1348-L1357 HydrophobicContact CD1-CG 4.1Å; I1348-L1357 HydrophobicContact CG1-CD2 4.35Å; I1348-L1357 HydrophobicContact CG1-CG 4.25Å; I1348-L1357 HydrophobicContact CG2-CD2 4.4Å; I1348-L1357 HydrophobicContact CG2-CG 4Å; F1352-L1357 HydrophobicContact CD2-CD2 4.27Å; F1352-L1357 HydrophobicContact CE2-CD2 3.78Å; F1352-L1357 HydrophobicContact CZ-CD2 4.39Å; L1357-R1361 HydrophobicContact CB-CB 4.48Å; L1357-I1363 HydrophobicContact CD1-CD1 3.98Å; L1357-I1363 HydrophobicContact CD1-CG1 4.05Å; L1357-H1381 PolarHBondContact N-O 3.23Å |
| 1358 | P | 88.5 | Confident | 91.3 | Very high | 28 Ų | 28 | 45 Ų | 45 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -50.5 | 143 | 169.8 | -27.1 | 34.5 | 0 | 0 | 0 | 111.9 | N1360 R1361 | P1358-N1360 WeakPolarHBondContact CB-OD1 3.35Å; P1358-N1360 PolarHBondContact O-N 3.18Å; P1358-R1361 HydrophobicContact CB-CG 4.35Å; P1358-R1361 PolarHBondContact O-N 3.2Å | ||
| 1359 | H | 84.1 | Confident | 91.3 | Very high | 160 Ų | 160 | 46.4 Ų | 46.4 | 74% | 0.741 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -22.8 | -171.6 | -69.5 | 78.4 | 0 | 0 | 0 | 115 | ||
| 1360 | N | 84.9 | Confident | 91.3 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 45% | 0.449 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8 | 176.4 | 63.9 | -23.4 | 0 | 0 | 0 | 113.9 | P1358 | P1358-N1360 WeakPolarHBondContact CB-OD1 3.35Å; P1358-N1360 PolarHBondContact O-N 3.18Å |
| 1361 | R | 90.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | trans | -107.5 | 136.3 | -179.6 | -58.9 | -174.9 | -169 | 175.1 | 4.3 | 111 | L1311 A1314 P1315 I1318 L1320 S1325 L1357 P1358 | L1311-R1361 HydrophobicContact CD1-CB 4.4Å; L1311-R1361 HydrophobicContact CD2-CB 4.09Å; L1311-R1361 HydrophobicContact CG-CB 4.28Å; L1311-R1361 PolarHBondContact O-NH1 3.43Å; A1314-R1361 PolarHBondContact O-NH1 3.36Å; A1314-R1361 VanDerWaalsContact O-NH1 3.07Å; P1315-R1361 PolarHBondContact O-NH2 3.32Å; I1318-R1361 PolarHBondContact O-NH2 3.24Å; L1320-R1361 HydrophobicContact CD1-CG 4.3Å; S1325-R1361 CarbonylContact O-C 3.5Å; S1325-R1361 VanDerWaalsContact O-CA 3.27Å; S1325-R1361 WeakPolarHBondContact O-CA 3.42Å; L1357-R1361 HydrophobicContact CB-CB 4.48Å; P1358-R1361 HydrophobicContact CB-CG 4.35Å; P1358-R1361 PolarHBondContact O-N 3.2Å | ||
| 1362 | R | 91.9 | Very high | 91.9 | Very high | 122 Ų | 122 | 42 Ų | 42 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 148.8 | 180 | -62.3 | -176.2 | -161.5 | 161.5 | 6.1 | 113.3 | S1325 V1326 V1327 G1382 | S1325-R1362 PolarHBondContact O-N 3.15Å; V1326-R1362 VanDerWaalsContact CA-O 3.31Å; V1326-R1362 WeakPolarHBondContact CA-O 3.45Å; V1326-R1362 HydrophobicContact CG1-CB 4.35Å; V1326-R1362 HydrophobicContact CG2-CB 4.46Å; V1327-R1362 PolarHBondContact N-O 3.32Å; R1362-G1382 WeakPolarHBondContact CA-O 3.28Å |
| 1363 | I | 95.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.3 | 170.3 | -57.1 | 173.1 | 0 | 0 | 0 | 107.6 | I1304 A1308 L1311 I1312 L1344 I1348 L1357 V1365 G1382 H1384 | I1304-I1363 HydrophobicContact CG2-CG2 4.08Å; A1308-I1363 HydrophobicContact CB-CD1 3.68Å; A1308-I1363 HydrophobicContact CB-CG1 4.27Å; L1311-I1363 HydrophobicContact CD2-CD1 4.36Å; L1311-I1363 HydrophobicContact CD2-CG1 4.18Å; I1312-I1363 HydrophobicContact CD1-CD1 4.21Å; I1312-I1363 HydrophobicContact CG1-CD1 4.35Å; L1344-I1363 HydrophobicContact CD1-CD1 3.99Å; L1344-I1363 HydrophobicContact CD2-CD1 4.42Å; L1344-I1363 HydrophobicContact CD2-CG2 4.41Å; I1348-I1363 HydrophobicContact CD1-CD1 4.3Å; L1357-I1363 HydrophobicContact CD1-CD1 3.98Å; L1357-I1363 HydrophobicContact CD1-CG1 4.05Å; I1363-V1365 HydrophobicContact CG2-CG2 4.06Å; I1363-G1382 PolarHBondContact N-O 2.9Å; I1363-H1384 PolarHBondContact O-N 3.04Å |
| 1364 | M | 95.7 | Very high | 92.4 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 23% | 0.227 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.6 | -178.4 | -63.7 | -69.3 | -57.7 | 0 | 0 | 109.2 | V1326 V1327 Y1328 V1329 H1384 | V1326-M1364 HydrophobicContact CG1-CG 3.91Å; V1327-M1364 PolarHBondContact O-N 2.81Å; Y1328-M1364 CarbonylContact C-O 3.56Å; Y1328-M1364 WeakPolarHBondContact CA-O 3.47Å; Y1328-M1364 HydrophobicContact CD1-CB 3.56Å; Y1328-M1364 HydrophobicContact CD1-CG 4.09Å; Y1328-M1364 HydrophobicContact CE1-CB 3.74Å; Y1328-M1364 HydrophobicContact CE1-CG 3.74Å; Y1328-M1364 HydrophobicContact CG-CB 4.3Å; V1329-M1364 PolarHBondContact N-O 3.25Å; M1364-H1384 WeakPolarHBondContact CA-O 3.25Å; M1364-H1384 HydrophobicContact CE-CB 4.25Å; M1364-H1384 HydrophobicContact SD-CB 3.58Å; M1364-H1384 VanDerWaalsContact SD-CB 3.58Å |
| 1365 | V | 97 | Very high | 92.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.3 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | I1304 V1329 I1363 V1367 H1384 I1385 R1386 | I1304-V1365 HydrophobicContact CD1-CG1 3.92Å; I1304-V1365 HydrophobicContact CD1-CG2 4.02Å; I1304-V1365 HydrophobicContact CG1-CG1 4.35Å; I1304-V1365 HydrophobicContact CG1-CG2 4.19Å; I1304-V1365 HydrophobicContact CG2-CG2 4.05Å; V1329-V1365 CarbonylContact O-C 3.53Å; V1329-V1365 WeakPolarHBondContact O-CA 3.29Å; I1363-V1365 HydrophobicContact CG2-CG2 4.06Å; V1365-V1367 HydrophobicContact CG1-CG1 4.19Å; V1365-H1384 PolarHBondContact N-O 3.41Å; V1365-I1385 HydrophobicContact CB-CG1 4.18Å; V1365-I1385 HydrophobicContact CB-CG2 4.32Å; V1365-I1385 HydrophobicContact CG1-CG2 4.44Å; V1365-I1385 HydrophobicContact CG2-CG1 4.5Å; V1365-I1385 CarbonylContact O-C 3.05Å; V1365-I1385 WeakPolarHBondContact O-CA 3.37Å; V1365-R1386 PolarHBondContact O-N 2.98Å |
| 1366 | N | 96.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 26% | 0.262 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.8 | 173.9 | -60.6 | -54.9 | 0 | 0 | 0 | 109.2 | V1329 T1330 E1331 R1386 | V1329-N1366 PolarHBondContact O-N 3.25Å; T1330-N1366 VanDerWaalsContact CA-O 3.24Å; T1330-N1366 WeakPolarHBondContact CA-O 3.26Å; T1330-N1366 HydrophobicContact CG2-CB 4.49Å; E1331-N1366 PolarHBondContact N-O 3.17Å; N1366-R1386 CarbonylContact C-O 3.59Å; N1366-R1386 WeakPolarHBondContact CA-O 3.42Å; N1366-R1386 WeakPolarHBondContact OD1-CB 3.43Å |
| 1367 | V | 96.5 | Very high | 93.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 147.5 | 177.6 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | E1331 I1333 V1365 F1375 I1385 R1386 L1387 E1388 | E1331-V1367 HydrophobicContact CB-CG1 4.2Å; E1331-V1367 VanDerWaalsContact O-CA 3.28Å; E1331-V1367 WeakPolarHBondContact O-CA 3.47Å; I1333-V1367 HydrophobicContact CB-CB 4.33Å; I1333-V1367 HydrophobicContact CG2-CB 4.11Å; I1333-V1367 HydrophobicContact CG2-CG2 4.36Å; V1365-V1367 HydrophobicContact CG1-CG1 4.19Å; V1367-F1375 HydrophobicContact CG2-CE2 4.06Å; V1367-F1375 HydrophobicContact CG2-CZ 3.75Å; V1367-I1385 HydrophobicContact CG2-CG2 4.42Å; V1367-R1386 PolarHBondContact N-O 3.44Å; V1367-L1387 HydrophobicContact CB-CD1 4.44Å; V1367-L1387 HydrophobicContact CG2-CB 4.2Å; V1367-L1387 HydrophobicContact CG2-CD1 3.76Å; V1367-L1387 CarbonylContact O-C 3.54Å; V1367-L1387 WeakPolarHBondContact O-CA 3.45Å; V1367-E1388 PolarHBondContact O-N 3.4Å |
| 1368 | S | 94.8 | Very high | 93.9 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 42% | 0.42 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.2 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | E1331 S1332 I1333 E1388 | E1331-S1368 PolarHBondContact O-N 2.85Å; S1332-S1368 WeakPolarHBondContact CA-O 3.24Å; I1333-S1368 PolarHBondContact N-O 3.01Å; S1368-E1388 WeakPolarHBondContact CA-O 3.29Å |
| 1369 | G | 93.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 31% | 0.309 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.6 | -156 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1333 E1388 G1389 D1390 | I1333-G1369 WeakPolarHBondContact O-CA 3.25Å; G1369-E1388 PolarHBondContact N-O 2.9Å; G1369-E1388 VanDerWaalsContact N-O 3.07Å; G1369-G1389 VanDerWaalsContact O-CA 3.3Å; G1369-G1389 WeakPolarHBondContact O-CA 3.37Å; G1369-D1390 PolarHBondContact O-N 3.26Å |
| 1370 | S | 93.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 20.6 Ų | 20.6 | 16% | 0.161 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 115.5 | -179.6 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | I1333 N1334 N1335 D1390 | I1333-S1370 PolarHBondContact O-N 2.81Å; N1334-S1370 CarbonylContact C-O 3.03Å; N1334-S1370 WeakPolarHBondContact CA-O 3.47Å; N1334-S1370 VanDerWaalsContact O-O 3.12Å; N1335-S1370 PolarHBondContact N-O 3.27Å; S1370-D1390 CarbonylContact C-O 3.59Å; S1370-D1390 VanDerWaalsContact CA-O 3.32Å; S1370-D1390 WeakPolarHBondContact CA-O 3.5Å; S1370-D1390 WeakPolarHBondContact CB-OD1 3.48Å; S1370-D1390 PolarHBondContact OG-OD1 2.96Å |
| 1371 | A | 95 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 140.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1333 F1375 L1387 D1390 N1392 | I1333-A1371 HydrophobicContact CD1-CB 3.76Å; A1371-F1375 HydrophobicContact CB-CB 3.86Å; A1371-F1375 HydrophobicContact CB-CD1 4.38Å; A1371-F1375 HydrophobicContact CB-CD2 3.51Å; A1371-F1375 HydrophobicContact CB-CE2 4.08Å; A1371-F1375 HydrophobicContact CB-CG 3.66Å; A1371-L1387 HydrophobicContact CB-CD2 3.71Å; A1371-D1390 PolarHBondContact N-O 2.89Å; A1371-N1392 PolarHBondContact O-N 3.4Å; A1371-N1392 VanDerWaalsContact O-N 3.09Å; A1371-N1392 PolarHBondContact O-ND2 3.09Å |
| 1372 | G | 93.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -66.8 | -175.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N1335 D1337 | N1335-G1372 WeakPolarHBondContact O-CA 3.36Å; D1337-G1372 PolarHBondContact O-N 2.96Å | ||
| 1373 | Q | 94.3 | Very high | 95.6 | Very high | 6 Ų | 6 | 14 Ų | 14 | 3% | 0.028 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 147 | 178 | -57.3 | -68.3 | 18.3 | 0 | 0 | 111.9 | Q1053 T1339 F1375 D1393 Y1394 | Q1053-Q1373 HydrophobicContact CG-CB 3.86Å; Q1053-Q1373 HydrophobicContact CG-CG 4.49Å; T1339-Q1373 PolarHBondContact N-O 3.28Å; Q1373-F1375 VanDerWaalsContact C-N 3.34Å; Q1373-F1375 PolarHBondContact O-N 3.38Å; Q1373-D1393 PolarHBondContact NE2-OD2 2.88Å; Q1373-D1393 PolarHBondContact OE1-O 3.03Å; Q1373-Y1394 HydrophobicContact CB-CD2 4.3Å |
| 1374 | S | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 30.2 | 174.3 | -60.7 | 0 | 0 | 0 | 0 | 115.3 | D1057 T1339 G1376 A1377 D1393 | D1057-S1374 VanDerWaalsContact CG-OG 3.23Å; D1057-S1374 WeakPolarHBondContact OD1-CB 3.34Å; D1057-S1374 PolarHBondContact OD1-OG 3.39Å; D1057-S1374 VanDerWaalsContact OD1-OG 3.06Å; D1057-S1374 PolarHBondContact OD2-OG 3.07Å; T1339-S1374 WeakPolarHBondContact CA-O 3.4Å; S1374-G1376 PolarHBondContact O-N 2.86Å; S1374-A1377 VanDerWaalsContact O-CB 3.3Å; S1374-A1377 WeakPolarHBondContact O-CB 3.3Å; S1374-A1377 PolarHBondContact O-N 2.95Å; S1374-D1393 PolarHBondContact N-O 2.89Å |
| 1375 | F | 97.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 123.6 | 176.6 | -175.3 | -105.7 | 0 | 0 | 0 | 112.4 | I1333 V1340 V1367 A1371 Q1373 A1377 I1385 L1387 V1395 G1396 I1404 I1406 | I1333-F1375 HydrophobicContact CD1-CD2 3.91Å; I1333-F1375 HydrophobicContact CD1-CE2 3.69Å; V1340-F1375 HydrophobicContact CB-CD2 3.97Å; V1340-F1375 HydrophobicContact CB-CE2 4.11Å; V1340-F1375 HydrophobicContact CG1-CE2 4.27Å; V1367-F1375 HydrophobicContact CG2-CE2 4.06Å; V1367-F1375 HydrophobicContact CG2-CZ 3.75Å; A1371-F1375 HydrophobicContact CB-CB 3.86Å; A1371-F1375 HydrophobicContact CB-CD1 4.38Å; A1371-F1375 HydrophobicContact CB-CD2 3.51Å; A1371-F1375 HydrophobicContact CB-CE2 4.08Å; A1371-F1375 HydrophobicContact CB-CG 3.66Å; Q1373-F1375 VanDerWaalsContact C-N 3.34Å; Q1373-F1375 PolarHBondContact O-N 3.38Å; F1375-A1377 VanDerWaalsContact C-N 3.3Å; F1375-A1377 PolarHBondContact O-N 3.11Å; F1375-I1385 HydrophobicContact CE1-CG2 3.86Å; F1375-I1385 HydrophobicContact CE2-CG2 4.21Å; F1375-I1385 HydrophobicContact CZ-CG2 3.35Å; F1375-L1387 HydrophobicContact CD1-CD2 4.43Å; F1375-L1387 HydrophobicContact CE1-CB 3.98Å; F1375-L1387 HydrophobicContact CE1-CD2 4.13Å; F1375-L1387 HydrophobicContact CZ-CB 4.04Å; F1375-L1387 HydrophobicContact CZ-CD2 4.34Å; F1375-V1395 HydrophobicContact CB-CG2 4.44Å; F1375-V1395 WeakPolarHBondContact O-CA 3.36Å; F1375-G1396 PolarHBondContact O-N 2.91Å; F1375-I1404 HydrophobicContact CD1-CG2 4.44Å; F1375-I1404 HydrophobicContact CE1-CG2 4.23Å; F1375-I1406 HydrophobicContact CD1-CD1 4.34Å |
| 1376 | G | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 25.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1340 S1374 L1379 | V1340-G1376 WeakPolarHBondContact O-CA 3.46Å; V1340-G1376 PolarHBondContact O-N 2.63Å; S1374-G1376 PolarHBondContact O-N 2.86Å; G1376-L1379 WeakPolarHBondContact O-CB 3.32Å |
| 1377 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 139.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | T1339 T1342 S1374 F1375 L1379 K1397 | T1339-A1377 HydrophobicContact CG2-CB 4.31Å; T1342-A1377 WeakPolarHBondContact CB-O 3.32Å; T1342-A1377 PolarHBondContact OG1-O 3.2Å; S1374-A1377 VanDerWaalsContact O-CB 3.3Å; S1374-A1377 WeakPolarHBondContact O-CB 3.3Å; S1374-A1377 PolarHBondContact O-N 2.95Å; F1375-A1377 VanDerWaalsContact C-N 3.3Å; F1375-A1377 PolarHBondContact O-N 3.11Å; A1377-L1379 PolarHBondContact O-N 2.9Å; A1377-L1379 VanDerWaalsContact O-N 3.14Å; A1377-K1397 CarbonylContact C-O 3.49Å; A1377-K1397 WeakPolarHBondContact CA-O 3.38Å; A1377-K1397 HydrophobicContact CB-CB 4.06Å |
| 1378 | F | 97.1 | Very high | 95.8 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 31.7 | 179.4 | -46.8 | -69.7 | 0 | 0 | 0 | 114.6 | V988 S990 L993 D1057 A1061 T1342 S1345 A1380 K1397 G1398 | V988-F1378 HydrophobicContact CG1-CE1 4.32Å; S990-F1378 WeakPolarHBondContact CB-O 3.22Å; L993-F1378 HydrophobicContact CD1-CD1 3.6Å; L993-F1378 HydrophobicContact CD1-CD2 3.9Å; L993-F1378 HydrophobicContact CD1-CE1 3.59Å; L993-F1378 HydrophobicContact CD1-CE2 3.88Å; L993-F1378 HydrophobicContact CD1-CG 3.76Å; L993-F1378 HydrophobicContact CD1-CZ 3.73Å; D1057-F1378 HydrophobicContact CB-CE2 4.44Å; A1061-F1378 HydrophobicContact CB-CD2 4.09Å; T1342-F1378 HydrophobicContact CG2-CB 4.38Å; T1342-F1378 HydrophobicContact CG2-CD2 3.92Å; S1345-F1378 WeakPolarHBondContact CB-O 3.03Å; S1345-F1378 PolarHBondContact OG-O 3.12Å; F1378-A1380 PolarHBondContact O-N 2.83Å; F1378-K1397 HydrophobicContact CZ-CG 4.42Å; F1378-K1397 PolarHBondContact N-O 2.82Å; F1378-G1398 WeakPolarHBondContact CA-O 3.41Å; F1378-G1398 WeakPolarHBondContact CD1-O 3.33Å |
| 1379 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 120.5 | -174.9 | -159.5 | 69.2 | 0 | 0 | 0 | 111.8 | S1345 G1376 A1377 V1383 I1385 L1399 S1400 G1401 G1402 I1404 | S1345-L1379 WeakPolarHBondContact OG-CA 3.38Å; G1376-L1379 WeakPolarHBondContact O-CB 3.32Å; A1377-L1379 PolarHBondContact O-N 2.9Å; A1377-L1379 VanDerWaalsContact O-N 3.14Å; L1379-V1383 HydrophobicContact CD1-CB 4.03Å; L1379-V1383 HydrophobicContact CD1-CG1 3.72Å; L1379-V1383 HydrophobicContact CD2-CB 4.4Å; L1379-V1383 HydrophobicContact CD2-CG1 4.34Å; L1379-V1383 HydrophobicContact CG-CB 4.03Å; L1379-V1383 HydrophobicContact CG-CG1 4.17Å; L1379-I1385 HydrophobicContact CD1-CD1 3.59Å; L1379-I1385 HydrophobicContact CD1-CG1 4.24Å; L1379-I1385 HydrophobicContact CD2-CD1 4Å; L1379-I1385 HydrophobicContact CD2-CG1 3.95Å; L1379-I1385 HydrophobicContact CG-CD1 4.49Å; L1379-L1399 HydrophobicContact CB-CD1 3.72Å; L1379-S1400 CarbonylContact O-C 3.47Å; L1379-S1400 WeakPolarHBondContact O-CA 3.47Å; L1379-S1400 PolarHBondContact O-N 3.11Å; L1379-S1400 VanDerWaalsContact O-N 3.13Å; L1379-G1401 PolarHBondContact O-N 3.32Å; L1379-G1402 PolarHBondContact O-N 2.79Å; L1379-I1404 HydrophobicContact CD2-CD1 4.42Å; L1379-I1404 HydrophobicContact CD2-CG1 3.83Å |
| 1380 | A | 95.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 161.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1345 I1348 F1378 V1383 G1402 | S1345-A1380 PolarHBondContact OG-N 3.14Å; I1348-A1380 HydrophobicContact CB-CB 4.23Å; I1348-A1380 HydrophobicContact CG2-CB 3.94Å; F1378-A1380 PolarHBondContact O-N 2.83Å; A1380-V1383 PolarHBondContact O-N 3.14Å; A1380-G1402 WeakPolarHBondContact O-CA 3.37Å; A1380-G1402 PolarHBondContact O-N 2.99Å |
| 1381 | H | 94.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 13.2 Ų | 13.2 | 29% | 0.287 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | 135.7 | 176.6 | -150.6 | 93.8 | 0 | 0 | 0 | 112.2 | L1357 S1400 | L1357-H1381 PolarHBondContact N-O 3.23Å; H1381-S1400 PolarHBondContact N-O 3.24Å |
| 1382 | G | 93 | Very high | 95.7 | Very high | 9 Ų | 9 | 13.3 Ų | 13.3 | 9% | 0.093 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | -1.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1362 I1363 | R1362-G1382 WeakPolarHBondContact CA-O 3.28Å; I1363-G1382 PolarHBondContact N-O 2.9Å |
| 1383 | V | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.9 | 173.8 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | L1344 I1348 L1379 A1380 I1385 G1402 K1403 | L1344-V1383 HydrophobicContact CD2-CG1 3.7Å; L1344-V1383 HydrophobicContact CD2-CG2 4.05Å; L1344-V1383 HydrophobicContact CG-CG2 4.46Å; I1348-V1383 HydrophobicContact CD1-CG2 3.28Å; L1379-V1383 HydrophobicContact CD1-CB 4.03Å; L1379-V1383 HydrophobicContact CD1-CG1 3.72Å; L1379-V1383 HydrophobicContact CD2-CB 4.4Å; L1379-V1383 HydrophobicContact CD2-CG1 4.34Å; L1379-V1383 HydrophobicContact CG-CB 4.03Å; L1379-V1383 HydrophobicContact CG-CG1 4.17Å; A1380-V1383 PolarHBondContact O-N 3.14Å; V1383-I1385 HydrophobicContact CG1-CG1 4.15Å; V1383-G1402 WeakPolarHBondContact O-CA 3.23Å; V1383-K1403 PolarHBondContact O-N 3.35Å |
| 1384 | H | 96.7 | Very high | 95.9 | Very high | 48 Ų | 48 | 13.4 Ų | 13.4 | 22% | 0.222 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.2 | 178.8 | -65.6 | -172.6 | 0 | 0 | 0 | 109.3 | I1363 M1364 V1365 K1403 | I1363-H1384 PolarHBondContact O-N 3.04Å; M1364-H1384 WeakPolarHBondContact CA-O 3.25Å; M1364-H1384 HydrophobicContact CE-CB 4.25Å; M1364-H1384 HydrophobicContact SD-CB 3.58Å; M1364-H1384 VanDerWaalsContact SD-CB 3.58Å; V1365-H1384 PolarHBondContact N-O 3.41Å; H1384-K1403 CarbonylContact C-O 3.58Å; H1384-K1403 VanDerWaalsContact CA-O 3.31Å; H1384-K1403 WeakPolarHBondContact CA-O 3.48Å; H1384-K1403 HydrophobicContact CB-CB 4.44Å |
| 1385 | I | 97.1 | Very high | 96 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 125.8 | 178.5 | -52.5 | -176.9 | 0 | 0 | 0 | 109.5 | V1365 V1367 F1375 L1379 V1383 K1403 I1404 T1405 | V1365-I1385 HydrophobicContact CB-CG1 4.18Å; V1365-I1385 HydrophobicContact CB-CG2 4.32Å; V1365-I1385 HydrophobicContact CG1-CG2 4.44Å; V1365-I1385 HydrophobicContact CG2-CG1 4.5Å; V1365-I1385 CarbonylContact O-C 3.05Å; V1365-I1385 WeakPolarHBondContact O-CA 3.37Å; V1367-I1385 HydrophobicContact CG2-CG2 4.42Å; F1375-I1385 HydrophobicContact CE1-CG2 3.86Å; F1375-I1385 HydrophobicContact CE2-CG2 4.21Å; F1375-I1385 HydrophobicContact CZ-CG2 3.35Å; L1379-I1385 HydrophobicContact CD1-CD1 3.59Å; L1379-I1385 HydrophobicContact CD1-CG1 4.24Å; L1379-I1385 HydrophobicContact CD2-CD1 4Å; L1379-I1385 HydrophobicContact CD2-CG1 3.95Å; L1379-I1385 HydrophobicContact CG-CD1 4.49Å; V1383-I1385 HydrophobicContact CG1-CG1 4.15Å; I1385-K1403 PolarHBondContact N-O 3.32Å; I1385-I1404 CarbonylContact O-C 3.54Å; I1385-I1404 WeakPolarHBondContact O-CA 3.34Å; I1385-T1405 PolarHBondContact O-N 2.99Å |
| 1386 | R | 97.6 | Very high | 96 | Very high | 84 Ų | 84 | 13.4 Ų | 13.4 | 32% | 0.317 | 6% | 0.063 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.4 | 173.8 | -175.1 | 178.7 | -177.9 | 165.3 | 5.6 | 109.9 | V1365 N1366 V1367 T1405 | V1365-R1386 PolarHBondContact O-N 2.98Å; N1366-R1386 CarbonylContact C-O 3.59Å; N1366-R1386 WeakPolarHBondContact CA-O 3.42Å; N1366-R1386 WeakPolarHBondContact OD1-CB 3.43Å; V1367-R1386 PolarHBondContact N-O 3.44Å; R1386-T1405 CarbonylContact C-O 3.58Å; R1386-T1405 VanDerWaalsContact CA-O 3.28Å; R1386-T1405 WeakPolarHBondContact CA-O 3.26Å; R1386-T1405 HydrophobicContact CG-CG2 4.46Å |
| 1387 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.1 | 174.7 | 176.2 | 62.2 | 0 | 0 | 0 | 110.2 | I1333 V1367 A1371 F1375 D1390 T1405 I1406 V1407 | I1333-L1387 HydrophobicContact CG2-CD1 3.7Å; V1367-L1387 HydrophobicContact CB-CD1 4.44Å; V1367-L1387 HydrophobicContact CG2-CB 4.2Å; V1367-L1387 HydrophobicContact CG2-CD1 3.76Å; V1367-L1387 CarbonylContact O-C 3.54Å; V1367-L1387 WeakPolarHBondContact O-CA 3.45Å; A1371-L1387 HydrophobicContact CB-CD2 3.71Å; F1375-L1387 HydrophobicContact CD1-CD2 4.43Å; F1375-L1387 HydrophobicContact CE1-CB 3.98Å; F1375-L1387 HydrophobicContact CE1-CD2 4.13Å; F1375-L1387 HydrophobicContact CZ-CB 4.04Å; F1375-L1387 HydrophobicContact CZ-CD2 4.34Å; L1387-D1390 WeakPolarHBondContact CD2-O 3.48Å; L1387-T1405 PolarHBondContact N-O 3.04Å; L1387-I1406 HydrophobicContact CB-CB 4.47Å; L1387-I1406 HydrophobicContact CB-CG1 4.13Å; L1387-I1406 HydrophobicContact CB-CG2 4.13Å; L1387-I1406 HydrophobicContact CD2-CD1 4.16Å; L1387-I1406 HydrophobicContact CD2-CG1 4.41Å; L1387-I1406 HydrophobicContact CD2-CG2 3.93Å; L1387-I1406 HydrophobicContact CG-CG2 4.08Å; L1387-I1406 WeakPolarHBondContact O-CA 3.37Å; L1387-V1407 PolarHBondContact O-N 3.09Å |
| 1388 | E | 96.3 | Very high | 96 | Very high | 52 Ų | 52 | 13.5 Ų | 13.5 | 24% | 0.243 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 99.7 | 165.5 | -177.3 | 173.3 | 166.5 | 0 | 0 | 108.8 | V1367 S1368 G1369 V1407 K1410 | V1367-E1388 PolarHBondContact O-N 3.4Å; S1368-E1388 WeakPolarHBondContact CA-O 3.29Å; G1369-E1388 PolarHBondContact N-O 2.9Å; G1369-E1388 VanDerWaalsContact N-O 3.07Å; E1388-V1407 CarbonylContact C-O 3.47Å; E1388-V1407 WeakPolarHBondContact CA-O 3.32Å; E1388-V1407 HydrophobicContact CB-CG2 4.41Å; E1388-K1410 WeakPolarHBondContact OE1-CG 3.45Å; E1388-K1410 PolarHBondContact OE1-N 2.98Å |
| 1389 | G | 93.5 | Very high | 96 | Very high | 5 Ų | 5 | 13.4 Ų | 13.4 | 5% | 0.052 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 150.9 | -136.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1369 V1407 | G1369-G1389 VanDerWaalsContact O-CA 3.3Å; G1369-G1389 WeakPolarHBondContact O-CA 3.37Å; G1389-V1407 PolarHBondContact N-O 3.4Å |
| 1390 | D | 93.6 | Very high | 96 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 3% | 0.027 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 159.8 | 177.9 | 52.6 | 33.6 | 0 | 0 | 0 | 112.1 | K412 G1369 S1370 A1371 L1387 I1424 | K412-D1390 IonicContact NZ-OD2 3.46Å; K412-D1390 PolarHBondContact NZ-OD2 2.91Å; G1369-D1390 PolarHBondContact O-N 3.26Å; S1370-D1390 CarbonylContact C-O 3.59Å; S1370-D1390 VanDerWaalsContact CA-O 3.32Å; S1370-D1390 WeakPolarHBondContact CA-O 3.5Å; S1370-D1390 WeakPolarHBondContact CB-OD1 3.48Å; S1370-D1390 PolarHBondContact OG-OD1 2.96Å; A1371-D1390 PolarHBondContact N-O 2.89Å; L1387-D1390 WeakPolarHBondContact CD2-O 3.48Å; D1390-I1424 WeakPolarHBondContact CA-O 3.36Å; D1390-I1424 WeakPolarHBondContact CB-O 3.18Å |
| 1391 | G | 94.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 148.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | I1424 V1425 G1426 | G1391-I1424 PolarHBondContact N-O 3.08Å; G1391-V1425 CarbonylContact O-C 3.33Å; G1391-V1425 VanDerWaalsContact O-CA 3.25Å; G1391-V1425 WeakPolarHBondContact O-CA 3.3Å; G1391-G1426 PolarHBondContact O-N 3.41Å |
| 1392 | N | 94.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | trans | -75.6 | -162.8 | 170.4 | -77.3 | -74 | 0 | 0 | 0 | 111.8 | E397 V398 A1371 V1395 G1426 | E397-N1392 VanDerWaalsContact CA-OD1 3.22Å; E397-N1392 WeakPolarHBondContact CA-OD1 3.12Å; E397-N1392 VanDerWaalsContact CB-OD1 3.3Å; E397-N1392 WeakPolarHBondContact CB-OD1 3.46Å; V398-N1392 HydrophobicContact CG2-CB 4.49Å; V398-N1392 VanDerWaalsContact CG2-CG 3.48Å; V398-N1392 WeakPolarHBondContact CG2-ND2 3.2Å; V398-N1392 VanDerWaalsContact CG2-OD1 3.31Å; V398-N1392 WeakPolarHBondContact CG2-OD1 3.25Å; V398-N1392 PolarHBondContact N-OD1 3.21Å; V398-N1392 PolarHBondContact O-ND2 3.16Å; V398-N1392 VanDerWaalsContact O-ND2 3.15Å; A1371-N1392 PolarHBondContact O-N 3.4Å; A1371-N1392 VanDerWaalsContact O-N 3.09Å; A1371-N1392 PolarHBondContact O-ND2 3.09Å; N1392-V1395 WeakPolarHBondContact O-CG2 3.47Å; N1392-G1426 WeakPolarHBondContact O-CA 3.48Å; N1392-G1426 PolarHBondContact O-N 3.45Å | ||
| 1393 | D | 95.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 1% | 0.011 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 158 | -179.7 | -47.4 | -44.6 | 0 | 0 | 0 | 112.7 | P381 R383 Q1373 S1374 V1395 G1426 N1427 | P381-D1393 WeakPolarHBondContact CB-OD2 3.33Å; R383-D1393 IonicContact NH2-OD1 3.68Å; Q1373-D1393 PolarHBondContact NE2-OD2 2.88Å; Q1373-D1393 PolarHBondContact OE1-O 3.03Å; S1374-D1393 PolarHBondContact N-O 2.89Å; D1393-V1395 PolarHBondContact O-N 3.32Å; D1393-G1426 VanDerWaalsContact OD1-CA 3.32Å; D1393-G1426 WeakPolarHBondContact OD1-CA 3.47Å; D1393-N1427 WeakPolarHBondContact CA-O 3.49Å; D1393-N1427 HydrophobicContact CB-CB 4.45Å; D1393-N1427 WeakPolarHBondContact OD1-CB 3.37Å; D1393-N1427 PolarHBondContact OD1-N 3.33Å |
| 1394 | Y | 97.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 12.1 Ų | 12.1 | 3% | 0.027 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 22.2 | 171.8 | -37.9 | -47.9 | 0 | 0 | 0 | 116.2 | D1044 Q1053 Q1373 G1396 K1397 N1427 V1428 | D1044-Y1394 HydrophobicContact CB-CD1 4.02Å; D1044-Y1394 HydrophobicContact CB-CE1 3.76Å; Q1053-Y1394 HydrophobicContact CG-CD2 4.41Å; Q1053-Y1394 HydrophobicContact CG-CE2 4.36Å; Q1373-Y1394 HydrophobicContact CB-CD2 4.3Å; Y1394-G1396 PolarHBondContact O-N 3.37Å; Y1394-K1397 HydrophobicContact CG-CD 4.49Å; Y1394-K1397 WeakPolarHBondContact O-CB 3.38Å; Y1394-K1397 PolarHBondContact O-N 2.97Å; Y1394-N1427 PolarHBondContact N-O 3.19Å; Y1394-V1428 HydrophobicContact CD1-CB 3.76Å; Y1394-V1428 HydrophobicContact CD1-CG1 3.82Å; Y1394-V1428 HydrophobicContact CE1-CB 3.86Å; Y1394-V1428 HydrophobicContact CE1-CG1 4Å; Y1394-V1428 HydrophobicContact CE1-CG2 4.42Å |
| 1395 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 127.4 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | F1375 N1392 D1393 K1397 I1404 I1406 V1425 C1429 L1430 L1438 | F1375-V1395 HydrophobicContact CB-CG2 4.44Å; F1375-V1395 WeakPolarHBondContact O-CA 3.36Å; N1392-V1395 WeakPolarHBondContact O-CG2 3.47Å; D1393-V1395 PolarHBondContact O-N 3.32Å; V1395-K1397 PolarHBondContact O-N 3.28Å; V1395-I1404 HydrophobicContact CG1-CG2 4.38Å; V1395-I1406 HydrophobicContact CG1-CD1 3.76Å; V1395-I1406 HydrophobicContact CG2-CD1 4.34Å; V1395-V1425 HydrophobicContact CB-CG1 4.41Å; V1395-V1425 HydrophobicContact CG2-CB 4.12Å; V1395-V1425 HydrophobicContact CG2-CG1 3.85Å; V1395-C1429 HydrophobicContact CB-CB 4.43Å; V1395-C1429 CarbonylContact O-C 3.59Å; V1395-C1429 WeakPolarHBondContact O-CA 3.36Å; V1395-L1430 PolarHBondContact O-N 3.24Å; V1395-L1438 HydrophobicContact CG1-CD1 4.17Å |
| 1396 | G | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 23.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F1375 Y1394 G1398 L1399 | F1375-G1396 PolarHBondContact O-N 2.91Å; Y1394-G1396 PolarHBondContact O-N 3.37Å; G1396-G1398 PolarHBondContact O-N 3.24Å; G1396-L1399 WeakPolarHBondContact O-CB 3.3Å; G1396-L1399 PolarHBondContact O-N 3.19Å |
| 1397 | K | 97.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 0% | 0.004 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 125.1 | 172.7 | 169.8 | 177.3 | 173.9 | 176.6 | 0 | 110.8 | D1044 L1054 D1057 A1377 F1378 Y1394 V1395 L1399 | D1044-K1397 WeakPolarHBondContact OD2-CE 3.44Å; D1044-K1397 IonicContact OD2-NZ 3.13Å; D1044-K1397 PolarHBondContact OD2-NZ 3.08Å; L1054-K1397 VanDerWaalsContact CD1-NZ 3.31Å; D1057-K1397 IonicContact OD2-NZ 2.75Å; D1057-K1397 PolarHBondContact OD2-NZ 2.99Å; A1377-K1397 CarbonylContact C-O 3.49Å; A1377-K1397 WeakPolarHBondContact CA-O 3.38Å; A1377-K1397 HydrophobicContact CB-CB 4.06Å; F1378-K1397 HydrophobicContact CZ-CG 4.42Å; F1378-K1397 PolarHBondContact N-O 2.82Å; Y1394-K1397 HydrophobicContact CG-CD 4.49Å; Y1394-K1397 WeakPolarHBondContact O-CB 3.38Å; Y1394-K1397 PolarHBondContact O-N 2.97Å; V1395-K1397 PolarHBondContact O-N 3.28Å; K1397-L1399 VanDerWaalsContact C-N 3.26Å; K1397-L1399 PolarHBondContact O-N 3.46Å |
| 1398 | G | 96.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 31.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F1378 G1396 S1400 Y1431 | F1378-G1398 WeakPolarHBondContact CA-O 3.41Å; F1378-G1398 WeakPolarHBondContact CD1-O 3.33Å; G1396-G1398 PolarHBondContact O-N 3.24Å; G1398-S1400 PolarHBondContact O-N 3.41Å; G1398-S1400 PolarHBondContact O-OG 2.9Å; G1398-Y1431 PolarHBondContact N-O 3.41Å |
| 1399 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | -46.3 | 128.8 | -179.7 | -165.2 | 68 | 0 | 0 | 0 | 111.2 | L1379 G1396 K1397 I1404 L1430 A1433 I1434 E1435 A1455 | L1379-L1399 HydrophobicContact CB-CD1 3.72Å; G1396-L1399 WeakPolarHBondContact O-CB 3.3Å; G1396-L1399 PolarHBondContact O-N 3.19Å; K1397-L1399 VanDerWaalsContact C-N 3.26Å; K1397-L1399 PolarHBondContact O-N 3.46Å; L1399-I1404 HydrophobicContact CD1-CD1 3.8Å; L1399-I1404 HydrophobicContact CD1-CG1 4.3Å; L1399-L1430 HydrophobicContact CB-CD2 4Å; L1399-L1430 HydrophobicContact CD2-CD2 3.84Å; L1399-A1433 HydrophobicContact CB-CB 3.91Å; L1399-I1434 PolarHBondContact O-N 2.81Å; L1399-E1435 CarbonylContact C-O 3.45Å; L1399-E1435 WeakPolarHBondContact CG-O 3.41Å; L1399-E1435 PolarHBondContact O-N 3.09Å; L1399-E1435 VanDerWaalsContact O-N 3.14Å; L1399-A1455 HydrophobicContact CD2-CB 4.39Å | ||
| 1400 | S | 96.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 10.8 Ų | 10.8 | 11% | 0.112 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 43.6 | -167.5 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | N989 S990 L1379 H1381 G1398 E1435 | N989-S1400 WeakPolarHBondContact CA-OG 3.34Å; S990-S1400 PolarHBondContact N-OG 2.87Å; L1379-S1400 CarbonylContact O-C 3.47Å; L1379-S1400 WeakPolarHBondContact O-CA 3.47Å; L1379-S1400 PolarHBondContact O-N 3.11Å; L1379-S1400 VanDerWaalsContact O-N 3.13Å; H1381-S1400 PolarHBondContact N-O 3.24Å; G1398-S1400 PolarHBondContact O-N 3.41Å; G1398-S1400 PolarHBondContact O-OG 2.9Å; S1400-E1435 PolarHBondContact N-O 2.89Å |
| 1401 | G | 93.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 14.7 Ų | 14.7 | 13% | 0.134 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 105.2 | -14.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1379 E1435 | L1379-G1401 PolarHBondContact O-N 3.32Å; G1401-E1435 PolarHBondContact N-O 3.02Å |
| 1402 | G | 95.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.01 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 169 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1379 A1380 V1383 G1436 R1437 | L1379-G1402 PolarHBondContact O-N 2.79Å; A1380-G1402 WeakPolarHBondContact O-CA 3.37Å; A1380-G1402 PolarHBondContact O-N 2.99Å; V1383-G1402 WeakPolarHBondContact O-CA 3.23Å; G1402-G1436 WeakPolarHBondContact O-CA 3.4Å; G1402-R1437 PolarHBondContact O-N 3.26Å |
| 1403 | K | 97.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 17 Ų | 17 | 7% | 0.07 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.7 | 175.9 | -177.4 | 172.3 | 176.1 | 170.9 | 0 | 110.8 | V1383 H1384 I1385 R1437 F1439 E1536 E1540 | V1383-K1403 PolarHBondContact O-N 3.35Å; H1384-K1403 CarbonylContact C-O 3.58Å; H1384-K1403 VanDerWaalsContact CA-O 3.31Å; H1384-K1403 WeakPolarHBondContact CA-O 3.48Å; H1384-K1403 HydrophobicContact CB-CB 4.44Å; I1385-K1403 PolarHBondContact N-O 3.32Å; K1403-R1437 CarbonylContact C-O 3.48Å; K1403-R1437 VanDerWaalsContact CA-O 3.32Å; K1403-R1437 WeakPolarHBondContact CA-O 3.42Å; K1403-R1437 HydrophobicContact CB-CB 4.44Å; K1403-R1437 HydrophobicContact CG-CB 4.11Å; K1403-F1439 VanDerWaalsContact CE-CE2 3.47Å; K1403-E1536 IonicContact NZ-OE1 3.62Å; K1403-E1536 PolarHBondContact NZ-OE1 3.35Å; K1403-E1540 IonicContact NZ-OE1 3.64Å; K1403-E1540 PolarHBondContact NZ-OE1 2.86Å; K1403-E1540 IonicContact NZ-OE2 2.68Å |
| 1404 | I | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.9 | 176.4 | -56.9 | 170.3 | 0 | 0 | 0 | 108.9 | F1375 L1379 I1385 V1395 L1399 I1406 R1437 L1438 F1439 | F1375-I1404 HydrophobicContact CD1-CG2 4.44Å; F1375-I1404 HydrophobicContact CE1-CG2 4.23Å; L1379-I1404 HydrophobicContact CD2-CD1 4.42Å; L1379-I1404 HydrophobicContact CD2-CG1 3.83Å; I1385-I1404 CarbonylContact O-C 3.54Å; I1385-I1404 WeakPolarHBondContact O-CA 3.34Å; V1395-I1404 HydrophobicContact CG1-CG2 4.38Å; L1399-I1404 HydrophobicContact CD1-CD1 3.8Å; L1399-I1404 HydrophobicContact CD1-CG1 4.3Å; I1404-I1406 HydrophobicContact CG2-CD1 4.24Å; I1404-I1406 HydrophobicContact CG2-CG1 3.98Å; I1404-R1437 PolarHBondContact N-O 3.25Å; I1404-L1438 HydrophobicContact CB-CD1 3.63Å; I1404-L1438 HydrophobicContact CG2-CD1 3.66Å; I1404-L1438 CarbonylContact O-C 3.58Å; I1404-L1438 WeakPolarHBondContact O-CA 3.41Å; I1404-F1439 PolarHBondContact O-N 3.03Å |
| 1405 | T | 98.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 124.4 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | I1385 R1386 L1387 V1407 F1439 E1540 T1541 | I1385-T1405 PolarHBondContact O-N 2.99Å; R1386-T1405 CarbonylContact C-O 3.58Å; R1386-T1405 VanDerWaalsContact CA-O 3.28Å; R1386-T1405 WeakPolarHBondContact CA-O 3.26Å; R1386-T1405 HydrophobicContact CG-CG2 4.46Å; L1387-T1405 PolarHBondContact N-O 3.04Å; T1405-V1407 HydrophobicContact CG2-CG1 4.23Å; T1405-F1439 CarbonylContact C-O 3.55Å; T1405-F1439 WeakPolarHBondContact CA-O 3.3Å; T1405-F1439 HydrophobicContact CG2-CB 4.37Å; T1405-E1540 HydrophobicContact CG2-CB 4.3Å; T1405-T1541 HydrophobicContact CG2-CG2 4.01Å |
| 1406 | I | 97.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.1 | 177 | -48.2 | -174.2 | 0 | 0 | 0 | 109.3 | F1375 L1387 V1395 I1404 I1424 V1425 F1439 L1440 R1441 | F1375-I1406 HydrophobicContact CD1-CD1 4.34Å; L1387-I1406 HydrophobicContact CB-CB 4.47Å; L1387-I1406 HydrophobicContact CB-CG1 4.13Å; L1387-I1406 HydrophobicContact CB-CG2 4.13Å; L1387-I1406 HydrophobicContact CD2-CD1 4.16Å; L1387-I1406 HydrophobicContact CD2-CG1 4.41Å; L1387-I1406 HydrophobicContact CD2-CG2 3.93Å; L1387-I1406 HydrophobicContact CG-CG2 4.08Å; L1387-I1406 WeakPolarHBondContact O-CA 3.37Å; V1395-I1406 HydrophobicContact CG1-CD1 3.76Å; V1395-I1406 HydrophobicContact CG2-CD1 4.34Å; I1404-I1406 HydrophobicContact CG2-CD1 4.24Å; I1404-I1406 HydrophobicContact CG2-CG1 3.98Å; I1406-I1424 HydrophobicContact CB-CD1 4.43Å; I1406-I1424 HydrophobicContact CB-CG1 4.49Å; I1406-I1424 HydrophobicContact CG2-CD1 3.86Å; I1406-I1424 HydrophobicContact CG2-CG1 3.68Å; I1406-V1425 HydrophobicContact CD1-CG1 3.66Å; I1406-F1439 PolarHBondContact N-O 3.39Å; I1406-L1440 HydrophobicContact CB-CD2 3.79Å; I1406-L1440 HydrophobicContact CD1-CD2 3.92Å; I1406-L1440 HydrophobicContact CG1-CD2 3.89Å; I1406-R1441 PolarHBondContact O-N 3.16Å |
| 1407 | V | 96.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 32.2 Ų | 32.2 | 5% | 0.048 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 147.8 | -179.7 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | L1387 E1388 G1389 T1405 R1441 T1541 | L1387-V1407 PolarHBondContact O-N 3.09Å; E1388-V1407 CarbonylContact C-O 3.47Å; E1388-V1407 WeakPolarHBondContact CA-O 3.32Å; E1388-V1407 HydrophobicContact CB-CG2 4.41Å; G1389-V1407 PolarHBondContact N-O 3.4Å; T1405-V1407 HydrophobicContact CG2-CG1 4.23Å; V1407-R1441 HydrophobicContact CG1-CB 4.15Å; V1407-T1541 HydrophobicContact CG1-CG2 4.05Å |
| 1408 | P | 93.3 | Very high | 91 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | trans | -60.5 | 153.9 | 172.6 | -20.5 | 32.5 | 0 | 0 | 0 | 111.3 | K1410 L1413 F1417 I1424 R1441 | P1408-K1410 PolarHBondContact O-N 3.46Å; P1408-L1413 HydrophobicContact CB-CD1 4.47Å; P1408-L1413 HydrophobicContact CB-CD2 4.04Å; P1408-L1413 HydrophobicContact CB-CG 4.16Å; P1408-L1413 HydrophobicContact CG-CD2 4.09Å; P1408-F1417 HydrophobicContact CB-CD1 4.27Å; P1408-F1417 HydrophobicContact CB-CE1 4.14Å; P1408-F1417 HydrophobicContact CG-CD1 4.44Å; P1408-F1417 HydrophobicContact CG-CE1 4.14Å; P1408-I1424 HydrophobicContact CG-CD1 4.02Å; P1408-R1441 WeakPolarHBondContact CD-O 3.38Å; P1408-R1441 HydrophobicContact CG-CG 4.46Å; P1408-R1441 WeakPolarHBondContact CG-O 3.43Å | ||
| 1409 | P | 90 | Very high | 90.7 | Very high | 22 Ų | 22 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.199 | C | C | . | . | trans | -52.7 | 137.6 | 170.8 | -25.4 | 33.8 | 0 | 0 | 0 | 112.4 | H1411 L1412 L1413 | P1409-H1411 VanDerWaalsContact C-N 3.3Å; P1409-H1411 WeakPolarHBondContact CB-CE1 3.26Å; P1409-H1411 WeakPolarHBondContact CB-ND1 3.49Å; P1409-H1411 PolarHBondContact O-N 3.04Å; P1409-L1412 HydrophobicContact CB-CG 4.38Å; P1409-L1412 HydrophobicContact CG-CD1 4.21Å; P1409-L1412 PolarHBondContact O-N 3.02Å; P1409-L1412 VanDerWaalsContact O-N 3.15Å; P1409-L1413 PolarHBondContact O-N 3Å | ||
| 1410 | K | 88.2 | Confident | 90.4 | Very high | 123 Ų | 123 | 41.1 Ų | 41.1 | 54% | 0.535 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -56.6 | -41.9 | -177 | -74.8 | 179.5 | -179.2 | 179.8 | 0 | 113.3 | E1388 P1408 L1412 L1413 E1414 | E1388-K1410 WeakPolarHBondContact OE1-CG 3.45Å; E1388-K1410 PolarHBondContact OE1-N 2.98Å; P1408-K1410 PolarHBondContact O-N 3.46Å; K1410-L1412 VanDerWaalsContact C-N 3.3Å; K1410-L1412 PolarHBondContact O-N 3.5Å; K1410-L1413 WeakPolarHBondContact O-CB 3.48Å; K1410-L1413 PolarHBondContact O-N 3.33Å; K1410-L1413 VanDerWaalsContact O-N 3.1Å; K1410-E1414 WeakPolarHBondContact O-CG 3.37Å; K1410-E1414 PolarHBondContact O-N 3.04Å |
| 1411 | H | 84.7 | Confident | 90 | Very high | 87 Ų | 87 | 44.7 Ų | 44.7 | 40% | 0.403 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59 | -39.2 | 179.8 | 69.8 | -85.8 | 0 | 0 | 0 | 112.5 | P1409 L1413 E1414 E1415 | P1409-H1411 VanDerWaalsContact C-N 3.3Å; P1409-H1411 WeakPolarHBondContact CB-CE1 3.26Å; P1409-H1411 WeakPolarHBondContact CB-ND1 3.49Å; P1409-H1411 PolarHBondContact O-N 3.04Å; H1411-L1413 VanDerWaalsContact C-N 3.35Å; H1411-L1413 PolarHBondContact O-N 3.36Å; H1411-E1414 PolarHBondContact O-N 3.19Å; H1411-E1415 WeakPolarHBondContact O-CG 3.34Å; H1411-E1415 PolarHBondContact O-N 3.41Å; H1411-E1415 VanDerWaalsContact O-N 3.12Å |
| 1412 | L | 83.7 | Confident | 89.8 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.6 | -66.5 | -176.4 | 0 | 0 | 0 | 111.3 | P1409 K1410 E1414 E1415 G1416 F1417 | P1409-L1412 HydrophobicContact CB-CG 4.38Å; P1409-L1412 HydrophobicContact CG-CD1 4.21Å; P1409-L1412 PolarHBondContact O-N 3.02Å; P1409-L1412 VanDerWaalsContact O-N 3.15Å; K1410-L1412 VanDerWaalsContact C-N 3.3Å; K1410-L1412 PolarHBondContact O-N 3.5Å; L1412-E1414 VanDerWaalsContact C-N 3.32Å; L1412-E1414 PolarHBondContact O-N 2.97Å; L1412-E1415 PolarHBondContact O-N 3.33Å; L1412-G1416 PolarHBondContact O-N 3.43Å; L1412-F1417 VanDerWaalsContact C-CB 3.49Å; L1412-F1417 HydrophobicContact CB-CB 3.85Å; L1412-F1417 HydrophobicContact CB-CD2 4.48Å; L1412-F1417 HydrophobicContact CB-CG 4.08Å; L1412-F1417 HydrophobicContact CD1-CD2 4.5Å; L1412-F1417 WeakPolarHBondContact O-CB 3.5Å; L1412-F1417 PolarHBondContact O-N 3.24Å |
| 1413 | L | 85.2 | Confident | 89.5 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 178.5 | -63.4 | 173.2 | 0 | 0 | 0 | 111.6 | P1408 P1409 K1410 H1411 E1415 G1416 F1417 | P1408-L1413 HydrophobicContact CB-CD1 4.47Å; P1408-L1413 HydrophobicContact CB-CD2 4.04Å; P1408-L1413 HydrophobicContact CB-CG 4.16Å; P1408-L1413 HydrophobicContact CG-CD2 4.09Å; P1409-L1413 PolarHBondContact O-N 3Å; K1410-L1413 WeakPolarHBondContact O-CB 3.48Å; K1410-L1413 PolarHBondContact O-N 3.33Å; K1410-L1413 VanDerWaalsContact O-N 3.1Å; H1411-L1413 VanDerWaalsContact C-N 3.35Å; H1411-L1413 PolarHBondContact O-N 3.36Å; L1413-E1415 VanDerWaalsContact C-N 3.26Å; L1413-E1415 PolarHBondContact O-N 2.71Å; L1413-G1416 PolarHBondContact O-N 2.85Å; L1413-F1417 HydrophobicContact CD2-CD1 4.41Å |
| 1414 | E | 84.4 | Confident | 89.4 | Confident | 162 Ų | 162 | 45.1 Ų | 45.1 | 76% | 0.757 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.7 | -30.2 | 175.4 | -69.5 | 171 | -170.7 | 0 | 0 | 112.3 | K1410 H1411 L1412 G1416 | K1410-E1414 WeakPolarHBondContact O-CG 3.37Å; K1410-E1414 PolarHBondContact O-N 3.04Å; H1411-E1414 PolarHBondContact O-N 3.19Å; L1412-E1414 VanDerWaalsContact C-N 3.32Å; L1412-E1414 PolarHBondContact O-N 2.97Å; E1414-G1416 VanDerWaalsContact C-N 3.28Å; E1414-G1416 PolarHBondContact O-N 2.88Å |
| 1415 | E | 79.8 | Confident | 89.3 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 37% | 0.369 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 6.4 | 177.5 | -70.8 | 175.3 | -162 | 0 | 0 | 115 | K408 H1411 L1412 L1413 | K408-E1415 PolarHBondContact NZ-O 3.39Å; H1411-E1415 WeakPolarHBondContact O-CG 3.34Å; H1411-E1415 PolarHBondContact O-N 3.41Å; H1411-E1415 VanDerWaalsContact O-N 3.12Å; L1412-E1415 PolarHBondContact O-N 3.33Å; L1413-E1415 VanDerWaalsContact C-N 3.26Å; L1413-E1415 PolarHBondContact O-N 2.71Å |
| 1416 | G | 82.4 | Confident | 89 | Confident | 57 Ų | 57 | 45 Ų | 45 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 22.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1412 L1413 E1414 K1418 | L1412-G1416 PolarHBondContact O-N 3.43Å; L1413-G1416 PolarHBondContact O-N 2.85Å; E1414-G1416 VanDerWaalsContact C-N 3.28Å; E1414-G1416 PolarHBondContact O-N 2.88Å; G1416-K1418 PolarHBondContact O-N 3.08Å |
| 1417 | F | 82.7 | Confident | 88.8 | Confident | 31 Ų | 31 | 46 Ų | 46 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | trans | -64.2 | 121.6 | 172.1 | -176.7 | -94.4 | 0 | 0 | 0 | 111.2 | K412 P1408 L1412 L1413 N1422 | K412-F1417 HydrophobicContact CD-CZ 4.4Å; K412-F1417 HydrophobicContact CG-CE2 4.4Å; P1408-F1417 HydrophobicContact CB-CD1 4.27Å; P1408-F1417 HydrophobicContact CB-CE1 4.14Å; P1408-F1417 HydrophobicContact CG-CD1 4.44Å; P1408-F1417 HydrophobicContact CG-CE1 4.14Å; L1412-F1417 VanDerWaalsContact C-CB 3.49Å; L1412-F1417 HydrophobicContact CB-CB 3.85Å; L1412-F1417 HydrophobicContact CB-CD2 4.48Å; L1412-F1417 HydrophobicContact CB-CG 4.08Å; L1412-F1417 HydrophobicContact CD1-CD2 4.5Å; L1412-F1417 WeakPolarHBondContact O-CB 3.5Å; L1412-F1417 PolarHBondContact O-N 3.24Å; L1413-F1417 HydrophobicContact CD2-CD1 4.41Å; F1417-N1422 HydrophobicContact CE1-CB 3.98Å; F1417-N1422 HydrophobicContact CE2-CB 4.03Å; F1417-N1422 HydrophobicContact CZ-CB 3.36Å; F1417-N1422 VanDerWaalsContact CZ-CG 3.49Å | ||
| 1418 | K | 88.9 | Confident | 88.8 | Confident | 122 Ų | 122 | 45.7 Ų | 45.7 | 53% | 0.53 | 23% | 0.233 | S | C | . | . | trans | -88.4 | 108.8 | 176.6 | -65.1 | -173.8 | -179.1 | -178 | 0 | 110.6 | G1416 E1420 D1421 N1422 | G1416-K1418 PolarHBondContact O-N 3.08Å; K1418-E1420 VanDerWaalsContact C-N 3.29Å; K1418-E1420 PolarHBondContact O-N 3.23Å; K1418-D1421 HydrophobicContact CB-CB 4.32Å; K1418-D1421 WeakPolarHBondContact CD-OD2 3.28Å; K1418-D1421 PolarHBondContact O-N 3.4Å; K1418-N1422 PolarHBondContact O-ND2 2.91Å | ||
| 1419 | S | 90.7 | Very high | 88.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -66.1 | -34.6 | -177.7 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | D1421 N1422 R1441 G1442 E1460 | S1419-D1421 PolarHBondContact O-N 3.23Å; S1419-N1422 PolarHBondContact O-N 3.31Å; S1419-N1422 VanDerWaalsContact O-N 3.15Å; S1419-N1422 VanDerWaalsContact O-O 3.09Å; S1419-R1441 WeakPolarHBondContact CB-O 3.13Å; S1419-G1442 VanDerWaalsContact O-CA 3.31Å; S1419-G1442 WeakPolarHBondContact O-CA 3.39Å; S1419-E1460 WeakPolarHBondContact CB-OE2 3.39Å; S1419-E1460 PolarHBondContact OG-OE2 3.14Å |
| 1420 | E | 90.3 | Very high | 89.3 | Confident | 65 Ų | 65 | 44.4 Ų | 44.4 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -67 | -16.8 | -178.4 | 65.6 | -90 | -147.9 | 0 | 0 | 114.3 | K1418 Q1443 E1460 V1545 | K1418-E1420 VanDerWaalsContact C-N 3.29Å; K1418-E1420 PolarHBondContact O-N 3.23Å; E1420-Q1443 WeakPolarHBondContact O-CG 3.44Å; E1420-Q1443 PolarHBondContact O-NE2 3.49Å; E1420-E1460 HydrophobicContact CB-CB 4.49Å; E1420-E1460 PolarHBondContact N-OE2 2.93Å; E1420-V1545 HydrophobicContact CB-CG2 3.83Å; E1420-V1545 HydrophobicContact CG-CG2 4.17Å |
| 1421 | D | 88.1 | Confident | 89.8 | Confident | 92 Ų | 92 | 38.5 Ų | 38.5 | 49% | 0.492 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -101 | -7.4 | 178.6 | -72.1 | -33.5 | 0 | 0 | 0 | 112.9 | K1418 S1419 | K1418-D1421 HydrophobicContact CB-CB 4.32Å; K1418-D1421 WeakPolarHBondContact CD-OD2 3.28Å; K1418-D1421 PolarHBondContact O-N 3.4Å; S1419-D1421 PolarHBondContact O-N 3.23Å |
| 1422 | N | 88.6 | Confident | 90.3 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 9% | 0.086 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -123.3 | 150.5 | -170.2 | -73.4 | -85.3 | 0 | 0 | 0 | 112.7 | K412 F1417 K1418 S1419 Q1443 | K412-N1422 HydrophobicContact CB-CB 4.5Å; K412-N1422 PolarHBondContact N-OD1 3.28Å; K412-N1422 PolarHBondContact O-OD1 3.16Å; F1417-N1422 HydrophobicContact CE1-CB 3.98Å; F1417-N1422 HydrophobicContact CE2-CB 4.03Å; F1417-N1422 HydrophobicContact CZ-CB 3.36Å; F1417-N1422 VanDerWaalsContact CZ-CG 3.49Å; K1418-N1422 PolarHBondContact O-ND2 2.91Å; S1419-N1422 PolarHBondContact O-N 3.31Å; S1419-N1422 VanDerWaalsContact O-N 3.15Å; S1419-N1422 VanDerWaalsContact O-O 3.09Å; N1422-Q1443 WeakPolarHBondContact O-CB 3.36Å; N1422-Q1443 PolarHBondContact O-N 3.46Å |
| 1423 | L | 90.7 | Very high | 90.6 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 137.2 | 173.6 | -85 | 164.7 | 0 | 0 | 0 | 111.8 | R414 Q1443 A1445 | R414-L1423 HydrophobicContact CB-CD1 3.46Å; R414-L1423 VanDerWaalsContact CB-CD1 3.46Å; R414-L1423 HydrophobicContact CG-CD1 3.5Å; L1423-Q1443 WeakPolarHBondContact CA-O 3.45Å; L1423-Q1443 HydrophobicContact CD2-CB 4.22Å; L1423-Q1443 VanDerWaalsContact CD2-O 3.29Å; L1423-Q1443 WeakPolarHBondContact CD2-O 3.28Å; L1423-A1445 HydrophobicContact CD2-CB 4.02Å |
| 1424 | I | 94.5 | Very high | 90.4 | Very high | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | trans | -117.5 | -24.1 | 171.3 | -164.5 | 157.4 | 0 | 0 | 0 | 112.9 | D1390 G1391 I1406 P1408 L1440 R1441 Q1443 | D1390-I1424 WeakPolarHBondContact CA-O 3.36Å; D1390-I1424 WeakPolarHBondContact CB-O 3.18Å; G1391-I1424 PolarHBondContact N-O 3.08Å; I1406-I1424 HydrophobicContact CB-CD1 4.43Å; I1406-I1424 HydrophobicContact CB-CG1 4.49Å; I1406-I1424 HydrophobicContact CG2-CD1 3.86Å; I1406-I1424 HydrophobicContact CG2-CG1 3.68Å; P1408-I1424 HydrophobicContact CG-CD1 4.02Å; I1424-L1440 HydrophobicContact CG2-CB 4.2Å; I1424-R1441 WeakPolarHBondContact CD1-O 3.28Å; I1424-Q1443 PolarHBondContact N-O 3.4Å | ||
| 1425 | V | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -136.1 | 163.4 | 178.3 | -65 | 0 | 0 | 0 | 0 | 115.1 | R383 G1391 V1395 I1406 L1440 Q1443 A1444 | R383-V1425 PolarHBondContact NH1-O 3.2Å; R383-V1425 PolarHBondContact NH2-O 3.38Å; R383-V1425 VanDerWaalsContact NH2-O 3.13Å; G1391-V1425 CarbonylContact O-C 3.33Å; G1391-V1425 VanDerWaalsContact O-CA 3.25Å; G1391-V1425 WeakPolarHBondContact O-CA 3.3Å; V1395-V1425 HydrophobicContact CB-CG1 4.41Å; V1395-V1425 HydrophobicContact CG2-CB 4.12Å; V1395-V1425 HydrophobicContact CG2-CG1 3.85Å; I1406-V1425 HydrophobicContact CD1-CG1 3.66Å; V1425-L1440 HydrophobicContact CG1-CD1 4.4Å; V1425-L1440 HydrophobicContact CG1-CD2 3.66Å; V1425-L1440 HydrophobicContact CG2-CD1 3.63Å; V1425-L1440 HydrophobicContact CG2-CD2 4.43Å; V1425-Q1443 PolarHBondContact N-O 3.27Å; V1425-A1444 HydrophobicContact CG2-CB 3.51Å |
| 1426 | G | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -36.2 | 169.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | G1391 N1392 D1393 C1429 A1445 | G1391-G1426 PolarHBondContact O-N 3.41Å; N1392-G1426 WeakPolarHBondContact O-CA 3.48Å; N1392-G1426 PolarHBondContact O-N 3.45Å; D1393-G1426 VanDerWaalsContact OD1-CA 3.32Å; D1393-G1426 WeakPolarHBondContact OD1-CA 3.47Å; G1426-C1429 PolarHBondContact O-SG 2.95Å; G1426-C1429 VanDerWaalsContact O-SG 3.39Å; G1426-A1445 VanDerWaalsContact O-CB 3.26Å; G1426-A1445 WeakPolarHBondContact O-CB 3.43Å; G1426-A1445 PolarHBondContact O-N 3.19Å | ||
| 1427 | N | 93.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -71.9 | 157.7 | 157.1 | -66.1 | -29.8 | 0 | 0 | 0 | 109.6 | D1393 Y1394 C1429 A1445 E1446 | D1393-N1427 WeakPolarHBondContact CA-O 3.49Å; D1393-N1427 HydrophobicContact CB-CB 4.45Å; D1393-N1427 WeakPolarHBondContact OD1-CB 3.37Å; D1393-N1427 PolarHBondContact OD1-N 3.33Å; Y1394-N1427 PolarHBondContact N-O 3.19Å; N1427-C1429 PolarHBondContact O-N 3.29Å; N1427-C1429 VanDerWaalsContact O-N 3.12Å; N1427-A1445 WeakPolarHBondContact OD1-CB 3.35Å; N1427-E1446 CarbonylContact C-O 3.58Å; N1427-E1446 WeakPolarHBondContact CA-O 3.24Å; N1427-E1446 PolarHBondContact OD1-N 3.41Å |
| 1428 | V | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 60.7 | 30.4 | 164.2 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | H1043 Y1394 Y1431 E1446 R1447 V1450 | H1043-V1428 HydrophobicContact CB-CG1 4.04Å; H1043-V1428 HydrophobicContact CB-CG2 4.32Å; H1043-V1428 WeakPolarHBondContact O-CG2 3.23Å; Y1394-V1428 HydrophobicContact CD1-CB 3.76Å; Y1394-V1428 HydrophobicContact CD1-CG1 3.82Å; Y1394-V1428 HydrophobicContact CE1-CB 3.86Å; Y1394-V1428 HydrophobicContact CE1-CG1 4Å; Y1394-V1428 HydrophobicContact CE1-CG2 4.42Å; V1428-Y1431 HydrophobicContact CG1-CD1 4.07Å; V1428-Y1431 HydrophobicContact CG1-CG 3.97Å; V1428-Y1431 PolarHBondContact O-N 3.09Å; V1428-E1446 PolarHBondContact N-O 3.48Å; V1428-R1447 HydrophobicContact CG2-CB 3.85Å; V1428-V1450 HydrophobicContact CG1-CG1 3.86Å |
| 1429 | C | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 142.7 | 173.4 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | V1395 G1426 N1427 Y1431 F1448 C1449 | V1395-C1429 HydrophobicContact CB-CB 4.43Å; V1395-C1429 CarbonylContact O-C 3.59Å; V1395-C1429 WeakPolarHBondContact O-CA 3.36Å; G1426-C1429 PolarHBondContact O-SG 2.95Å; G1426-C1429 VanDerWaalsContact O-SG 3.39Å; N1427-C1429 PolarHBondContact O-N 3.29Å; N1427-C1429 VanDerWaalsContact O-N 3.12Å; C1429-Y1431 PolarHBondContact O-N 3.17Å; C1429-F1448 HydrophobicContact CB-CD2 3.87Å; C1429-F1448 HydrophobicContact CB-CE2 4.22Å; C1429-C1449 PolarHBondContact O-N 3.17Å |
| 1430 | L | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 25.8 | -177.2 | -62.4 | 172.3 | 0 | 0 | 0 | 114.8 | V1395 L1399 G1432 A1433 L1438 C1449 A1455 V1457 | V1395-L1430 PolarHBondContact O-N 3.24Å; L1399-L1430 HydrophobicContact CB-CD2 4Å; L1399-L1430 HydrophobicContact CD2-CD2 3.84Å; L1430-G1432 PolarHBondContact O-N 3.46Å; L1430-G1432 VanDerWaalsContact O-N 3.09Å; L1430-A1433 HydrophobicContact CB-CB 3.98Å; L1430-A1433 HydrophobicContact CD2-CB 4.04Å; L1430-A1433 WeakPolarHBondContact O-CB 3.41Å; L1430-A1433 PolarHBondContact O-N 3.32Å; L1430-L1438 HydrophobicContact CD1-CB 4.14Å; L1430-L1438 HydrophobicContact CD1-CD2 3.62Å; L1430-L1438 HydrophobicContact CD1-CG 4.49Å; L1430-L1438 HydrophobicContact CD2-CB 4.21Å; L1430-L1438 HydrophobicContact CD2-CD2 3.95Å; L1430-L1438 HydrophobicContact CG-CD2 3.61Å; L1430-C1449 VanDerWaalsContact CD1-SG 3.59Å; L1430-A1455 HydrophobicContact CD1-CB 4.44Å; L1430-A1455 HydrophobicContact CD2-CB 4.25Å; L1430-V1457 HydrophobicContact CD1-CB 3.79Å; L1430-V1457 HydrophobicContact CD1-CG1 4.14Å; L1430-V1457 HydrophobicContact CD1-CG2 3.82Å |
| 1431 | Y | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 119.5 | 178.1 | 178 | -150.2 | 0 | 0 | 0 | 111.8 | S983 R985 H1043 D1044 G1398 V1428 C1429 A1433 V1450 R1451 | S983-Y1431 VanDerWaalsContact C-OH 3.31Å; S983-Y1431 WeakPolarHBondContact CA-OH 3.28Å; S983-Y1431 PolarHBondContact O-OH 2.97Å; R985-Y1431 HydrophobicContact CG-CD2 4.44Å; R985-Y1431 HydrophobicContact CG-CE1 4.14Å; R985-Y1431 HydrophobicContact CG-CE2 4Å; R985-Y1431 PolarHBondContact NH1-OH 2.98Å; H1043-Y1431 HydrophobicContact CB-CE1 4.41Å; D1044-Y1431 HydrophobicContact CB-CD1 3.94Å; D1044-Y1431 HydrophobicContact CB-CE1 4.09Å; D1044-Y1431 WeakPolarHBondContact OD1-CE1 3.28Å; G1398-Y1431 PolarHBondContact N-O 3.41Å; V1428-Y1431 HydrophobicContact CG1-CD1 4.07Å; V1428-Y1431 HydrophobicContact CG1-CG 3.97Å; V1428-Y1431 PolarHBondContact O-N 3.09Å; C1429-Y1431 PolarHBondContact O-N 3.17Å; Y1431-A1433 PolarHBondContact O-N 2.98Å; Y1431-V1450 WeakPolarHBondContact CA-O 3.37Å; Y1431-V1450 HydrophobicContact CD2-CG1 3.7Å; Y1431-V1450 HydrophobicContact CE2-CG1 4.49Å; Y1431-V1450 HydrophobicContact CG-CG1 4.04Å; Y1431-R1451 HydrophobicContact CD2-CB 3.89Å; Y1431-R1451 HydrophobicContact CE2-CB 3.83Å; Y1431-R1451 HydrophobicContact CE2-CG 4.25Å |
| 1432 | G | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 14.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1430 I1434 V1450 R1451 | L1430-G1432 PolarHBondContact O-N 3.46Å; L1430-G1432 VanDerWaalsContact O-N 3.09Å; G1432-I1434 WeakPolarHBondContact O-CG1 3.41Å; G1432-V1450 PolarHBondContact N-O 2.62Å; G1432-R1451 WeakPolarHBondContact CA-O 3.48Å; G1432-R1451 PolarHBondContact N-O 2.91Å |
| 1433 | A | 90.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | trans | -59.9 | 139.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1399 L1430 Y1431 N1452 S1453 G1454 A1455 | L1399-A1433 HydrophobicContact CB-CB 3.91Å; L1430-A1433 HydrophobicContact CB-CB 3.98Å; L1430-A1433 HydrophobicContact CD2-CB 4.04Å; L1430-A1433 WeakPolarHBondContact O-CB 3.41Å; L1430-A1433 PolarHBondContact O-N 3.32Å; Y1431-A1433 PolarHBondContact O-N 2.98Å; A1433-N1452 PolarHBondContact O-OD1 2.81Å; A1433-S1453 VanDerWaalsContact O-CA 3.3Å; A1433-S1453 WeakPolarHBondContact O-CA 3.49Å; A1433-S1453 WeakPolarHBondContact O-CB 3.39Å; A1433-S1453 PolarHBondContact O-N 3.16Å; A1433-G1454 PolarHBondContact O-N 3.35Å; A1433-A1455 HydrophobicContact CB-CB 3.75Å | ||
| 1434 | I | 81.1 | Confident | 94.9 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 5% | 0.046 | 8% | 0.076 | C | C | . | . | trans | -113.3 | -33.7 | -171.3 | -67 | -79 | 0 | 0 | 0 | 111.5 | Y1029 L1399 G1432 G1454 | Y1029-I1434 HydrophobicContact CD1-CD1 4.36Å; Y1029-I1434 HydrophobicContact CD1-CG2 3.6Å; Y1029-I1434 HydrophobicContact CD2-CD1 3.35Å; Y1029-I1434 HydrophobicContact CD2-CG1 4.42Å; Y1029-I1434 HydrophobicContact CD2-CG2 3.87Å; Y1029-I1434 HydrophobicContact CE1-CG2 3.36Å; Y1029-I1434 HydrophobicContact CE2-CD1 3.96Å; Y1029-I1434 HydrophobicContact CE2-CG2 3.64Å; Y1029-I1434 HydrophobicContact CG-CD1 3.56Å; Y1029-I1434 HydrophobicContact CG-CG2 3.83Å; L1399-I1434 PolarHBondContact O-N 2.81Å; G1432-I1434 WeakPolarHBondContact O-CG1 3.41Å; I1434-G1454 VanDerWaalsContact O-CA 3.24Å; I1434-G1454 WeakPolarHBondContact O-CA 3.44Å | ||
| 1435 | E | 93.4 | Very high | 94.9 | Very high | 118 Ų | 118 | 16.2 Ų | 16.2 | 55% | 0.551 | 7% | 0.074 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 169.2 | 167.8 | -150.2 | -179.9 | 168.1 | 0 | 0 | 109.9 | L1399 S1400 G1401 | L1399-E1435 CarbonylContact C-O 3.45Å; L1399-E1435 WeakPolarHBondContact CG-O 3.41Å; L1399-E1435 PolarHBondContact O-N 3.09Å; L1399-E1435 VanDerWaalsContact O-N 3.14Å; S1400-E1435 PolarHBondContact N-O 2.89Å; G1401-E1435 PolarHBondContact N-O 3.02Å |
| 1436 | G | 95.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 10% | 0.103 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.4 | -177.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1402 T1456 | G1402-G1436 WeakPolarHBondContact O-CA 3.4Å; G1436-T1456 PolarHBondContact O-N 3.11Å |
| 1437 | R | 97.7 | Very high | 94.7 | Very high | 108 Ų | 108 | 17.1 Ų | 17.1 | 41% | 0.408 | 8% | 0.078 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 134.2 | -175.3 | -64.9 | -177.6 | -174.1 | -175.7 | -4.3 | 111.8 | G1402 K1403 I1404 T1456 E1536 | G1402-R1437 PolarHBondContact O-N 3.26Å; K1403-R1437 CarbonylContact C-O 3.48Å; K1403-R1437 VanDerWaalsContact CA-O 3.32Å; K1403-R1437 WeakPolarHBondContact CA-O 3.42Å; K1403-R1437 HydrophobicContact CB-CB 4.44Å; K1403-R1437 HydrophobicContact CG-CB 4.11Å; I1404-R1437 PolarHBondContact N-O 3.25Å; R1437-T1456 VanDerWaalsContact CA-O 3.31Å; R1437-T1456 WeakPolarHBondContact CA-O 3.34Å; R1437-E1536 IonicContact CZ-OE1 2.6Å; R1437-E1536 IonicContact CZ-OE2 3.17Å; R1437-E1536 IonicContact NH1-OE1 3.82Å; R1437-E1536 PolarHBondContact NH1-OE1 3.08Å; R1437-E1536 IonicContact NH1-OE2 2.97Å; R1437-E1536 PolarHBondContact NH1-OE2 2.95Å |
| 1438 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127 | 171.6 | 176.5 | 66.5 | 0 | 0 | 0 | 109.9 | V1395 I1404 L1430 L1440 F1448 T1456 V1457 V1458 | V1395-L1438 HydrophobicContact CG1-CD1 4.17Å; I1404-L1438 HydrophobicContact CB-CD1 3.63Å; I1404-L1438 HydrophobicContact CG2-CD1 3.66Å; I1404-L1438 CarbonylContact O-C 3.58Å; I1404-L1438 WeakPolarHBondContact O-CA 3.41Å; L1430-L1438 HydrophobicContact CD1-CB 4.14Å; L1430-L1438 HydrophobicContact CD1-CD2 3.62Å; L1430-L1438 HydrophobicContact CD1-CG 4.49Å; L1430-L1438 HydrophobicContact CD2-CB 4.21Å; L1430-L1438 HydrophobicContact CD2-CD2 3.95Å; L1430-L1438 HydrophobicContact CG-CD2 3.61Å; L1438-L1440 HydrophobicContact CD1-CD2 3.82Å; L1438-L1440 HydrophobicContact CD1-CG 4.13Å; L1438-L1440 HydrophobicContact CD2-CD1 3.95Å; L1438-L1440 HydrophobicContact CD2-CD2 4.46Å; L1438-L1440 HydrophobicContact CD2-CG 4.16Å; L1438-L1440 HydrophobicContact CG-CD1 4.27Å; L1438-L1440 HydrophobicContact CG-CD2 4.18Å; L1438-L1440 HydrophobicContact CG-CG 3.93Å; L1438-F1448 HydrophobicContact CD2-CE2 4.47Å; L1438-T1456 PolarHBondContact N-O 3.41Å; L1438-T1456 VanDerWaalsContact N-O 3.08Å; L1438-V1457 HydrophobicContact CB-CB 4.35Å; L1438-V1457 HydrophobicContact CB-CG2 3.81Å; L1438-V1457 HydrophobicContact CD2-CG2 3.97Å; L1438-V1457 HydrophobicContact CG-CG2 3.96Å; L1438-V1457 VanDerWaalsContact O-CA 3.31Å; L1438-V1457 WeakPolarHBondContact O-CA 3.47Å; L1438-V1457 WeakPolarHBondContact O-CG2 3.38Å; L1438-V1458 PolarHBondContact O-N 3.13Å |
| 1439 | F | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119 | 176.6 | -64.1 | -33.4 | 0 | 0 | 0 | 110.2 | K1403 I1404 T1405 I1406 V1458 I1533 E1536 F1537 E1540 T1541 | K1403-F1439 VanDerWaalsContact CE-CE2 3.47Å; I1404-F1439 PolarHBondContact O-N 3.03Å; T1405-F1439 CarbonylContact C-O 3.55Å; T1405-F1439 WeakPolarHBondContact CA-O 3.3Å; T1405-F1439 HydrophobicContact CG2-CB 4.37Å; I1406-F1439 PolarHBondContact N-O 3.39Å; F1439-V1458 HydrophobicContact CD1-CB 3.96Å; F1439-V1458 HydrophobicContact CD1-CG2 3.96Å; F1439-V1458 HydrophobicContact CE1-CB 4.35Å; F1439-V1458 HydrophobicContact CE1-CG2 3.83Å; F1439-I1533 HydrophobicContact CE1-CD1 4.13Å; F1439-I1533 HydrophobicContact CE1-CG1 4.42Å; F1439-I1533 HydrophobicContact CZ-CD1 4.06Å; F1439-E1536 HydrophobicContact CE2-CG 3.83Å; F1439-E1536 WeakPolarHBondContact CE2-OE1 3.38Å; F1439-E1536 HydrophobicContact CZ-CB 4.41Å; F1439-E1536 HydrophobicContact CZ-CG 3.93Å; F1439-F1537 HydrophobicContact CB-CD2 3.84Å; F1439-F1537 HydrophobicContact CB-CE2 4.22Å; F1439-F1537 HydrophobicContact CD1-CB 4.44Å; F1439-F1537 AromaticContact CD1-CD2 3.96Å; F1439-F1537 HydrophobicContact CD1-CD2 3.96Å; F1439-F1537 HydrophobicContact CG-CD2 4.02Å; F1439-E1540 HydrophobicContact CD2-CB 3.9Å; F1439-E1540 HydrophobicContact CD2-CG 3.9Å; F1439-E1540 HydrophobicContact CE2-CB 4.41Å; F1439-E1540 HydrophobicContact CE2-CG 3.95Å; F1439-T1541 HydrophobicContact CB-CG2 4.07Å |
| 1440 | L | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 113.7 | -175.5 | -63.3 | 177.5 | 0 | 0 | 0 | 110.5 | I1406 I1424 V1425 L1438 G1442 A1444 F1448 V1458 V1459 | I1406-L1440 HydrophobicContact CB-CD2 3.79Å; I1406-L1440 HydrophobicContact CD1-CD2 3.92Å; I1406-L1440 HydrophobicContact CG1-CD2 3.89Å; I1424-L1440 HydrophobicContact CG2-CB 4.2Å; V1425-L1440 HydrophobicContact CG1-CD1 4.4Å; V1425-L1440 HydrophobicContact CG1-CD2 3.66Å; V1425-L1440 HydrophobicContact CG2-CD1 3.63Å; V1425-L1440 HydrophobicContact CG2-CD2 4.43Å; L1438-L1440 HydrophobicContact CD1-CD2 3.82Å; L1438-L1440 HydrophobicContact CD1-CG 4.13Å; L1438-L1440 HydrophobicContact CD2-CD1 3.95Å; L1438-L1440 HydrophobicContact CD2-CD2 4.46Å; L1438-L1440 HydrophobicContact CD2-CG 4.16Å; L1438-L1440 HydrophobicContact CG-CD1 4.27Å; L1438-L1440 HydrophobicContact CG-CD2 4.18Å; L1438-L1440 HydrophobicContact CG-CG 3.93Å; L1440-G1442 VanDerWaalsContact C-N 3.29Å; L1440-G1442 PolarHBondContact O-N 3.38Å; L1440-G1442 VanDerWaalsContact O-N 3.15Å; L1440-A1444 HydrophobicContact CD1-CB 4.35Å; L1440-F1448 HydrophobicContact CD1-CE2 3.85Å; L1440-F1448 HydrophobicContact CD1-CZ 4.47Å; L1440-V1458 PolarHBondContact N-O 3.28Å; L1440-V1459 HydrophobicContact CB-CB 4.19Å; L1440-V1459 HydrophobicContact CB-CG2 3.86Å; L1440-V1459 HydrophobicContact CD1-CB 4.3Å; L1440-V1459 HydrophobicContact CD1-CG2 3.82Å; L1440-V1459 HydrophobicContact CG-CG2 4.48Å |
| 1441 | R | 96.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 16.4 Ų | 16.4 | 11% | 0.109 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 72.7 | 170.5 | -178.5 | 173.4 | 173.8 | 175.9 | 3.5 | 110.4 | I1406 V1407 P1408 S1419 I1424 T1541 D1542 | I1406-R1441 PolarHBondContact O-N 3.16Å; V1407-R1441 HydrophobicContact CG1-CB 4.15Å; P1408-R1441 WeakPolarHBondContact CD-O 3.38Å; P1408-R1441 HydrophobicContact CG-CG 4.46Å; P1408-R1441 WeakPolarHBondContact CG-O 3.43Å; S1419-R1441 WeakPolarHBondContact CB-O 3.13Å; I1424-R1441 WeakPolarHBondContact CD1-O 3.28Å; R1441-T1541 HydrophobicContact CB-CG2 4.41Å; R1441-T1541 WeakPolarHBondContact CD-O 3.43Å; R1441-T1541 PolarHBondContact NH1-O 2.77Å; R1441-D1542 VanDerWaalsContact CZ-O 3.23Å; R1441-D1542 VanDerWaalsContact NH1-C 3.34Å; R1441-D1542 PolarHBondContact NH1-O 3.33Å; R1441-D1542 PolarHBondContact NH2-O 2.67Å |
| 1442 | G | 93.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -171.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | S1419 L1440 V1459 E1460 | S1419-G1442 VanDerWaalsContact O-CA 3.31Å; S1419-G1442 WeakPolarHBondContact O-CA 3.39Å; L1440-G1442 VanDerWaalsContact C-N 3.29Å; L1440-G1442 PolarHBondContact O-N 3.38Å; L1440-G1442 VanDerWaalsContact O-N 3.15Å; G1442-V1459 VanDerWaalsContact O-CG2 3.24Å; G1442-V1459 WeakPolarHBondContact O-CG2 3.24Å; G1442-E1460 PolarHBondContact N-OE2 3.38Å; G1442-E1460 PolarHBondContact O-N 3.36Å |
| 1443 | Q | 94.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 16.8 Ų | 16.8 | 19% | 0.187 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 141.7 | -179.5 | -58.6 | -172.6 | -3 | 0 | 0 | 112.8 | E1420 N1422 L1423 I1424 V1425 G1461 | E1420-Q1443 WeakPolarHBondContact O-CG 3.44Å; E1420-Q1443 PolarHBondContact O-NE2 3.49Å; N1422-Q1443 WeakPolarHBondContact O-CB 3.36Å; N1422-Q1443 PolarHBondContact O-N 3.46Å; L1423-Q1443 WeakPolarHBondContact CA-O 3.45Å; L1423-Q1443 HydrophobicContact CD2-CB 4.22Å; L1423-Q1443 VanDerWaalsContact CD2-O 3.29Å; L1423-Q1443 WeakPolarHBondContact CD2-O 3.28Å; I1424-Q1443 PolarHBondContact N-O 3.4Å; V1425-Q1443 PolarHBondContact N-O 3.27Å; Q1443-G1461 CarbonylContact C-O 3.55Å; Q1443-G1461 WeakPolarHBondContact CA-O 3.42Å |
| 1444 | A | 95.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -92.7 | 158.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R414 V1425 L1440 F1448 V1459 G1461 V1462 G1463 | R414-A1444 PolarHBondContact NH1-O 3.18Å; V1425-A1444 HydrophobicContact CG2-CB 3.51Å; L1440-A1444 HydrophobicContact CD1-CB 4.35Å; A1444-F1448 HydrophobicContact CB-CB 4.29Å; A1444-F1448 HydrophobicContact CB-CD2 3.33Å; A1444-F1448 HydrophobicContact CB-CE2 3.78Å; A1444-F1448 HydrophobicContact CB-CG 4Å; A1444-V1459 HydrophobicContact CB-CG2 4.14Å; A1444-G1461 PolarHBondContact N-O 3.02Å; A1444-V1462 HydrophobicContact CB-CG1 4.45Å; A1444-G1463 PolarHBondContact O-N 3.47Å | ||
| 1445 | A | 93 | Very high | 95.5 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.008 | 8% | 0.084 | C | C | . | . | trans | -86.2 | -152.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R383 R414 L1423 G1426 N1427 G1463 | R383-A1445 VanDerWaalsContact NH2-CB 3.34Å; R414-A1445 VanDerWaalsContact CZ-CA 3.44Å; R414-A1445 VanDerWaalsContact NH1-CA 3.29Å; L1423-A1445 HydrophobicContact CD2-CB 4.02Å; G1426-A1445 VanDerWaalsContact O-CB 3.26Å; G1426-A1445 WeakPolarHBondContact O-CB 3.43Å; G1426-A1445 PolarHBondContact O-N 3.19Å; N1427-A1445 WeakPolarHBondContact OD1-CB 3.35Å; A1445-G1463 WeakPolarHBondContact O-CA 3.43Å; A1445-G1463 PolarHBondContact O-N 3.26Å; A1445-G1463 VanDerWaalsContact O-N 3.12Å | ||
| 1446 | E | 92 | Very high | 95.8 | Very high | 14 Ų | 14 | 13 Ų | 13 | 7% | 0.065 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 154.2 | -172 | -43 | -50.6 | 164.8 | 0 | 0 | 111.2 | R414 N1427 V1428 F1448 G1463 D1464 | R414-E1446 IonicContact CZ-OE1 3.93Å; R414-E1446 VanDerWaalsContact CZ-OE1 3.25Å; R414-E1446 IonicContact CZ-OE2 3.41Å; R414-E1446 IonicContact NE-OE1 3.4Å; R414-E1446 PolarHBondContact NE-OE1 3.44Å; R414-E1446 IonicContact NH2-OE1 2.92Å; R414-E1446 PolarHBondContact NH2-OE1 2.93Å; R414-E1446 IonicContact NH2-OE2 3.73Å; R414-E1446 PolarHBondContact NH2-OE2 3.44Å; N1427-E1446 CarbonylContact C-O 3.58Å; N1427-E1446 WeakPolarHBondContact CA-O 3.24Å; N1427-E1446 PolarHBondContact OD1-N 3.41Å; V1428-E1446 PolarHBondContact N-O 3.48Å; E1446-F1448 PolarHBondContact O-N 3.37Å; E1446-G1463 VanDerWaalsContact OE2-C 3.3Å; E1446-G1463 WeakPolarHBondContact OE2-CA 3.49Å; E1446-D1464 WeakPolarHBondContact CA-O 3.45Å; E1446-D1464 WeakPolarHBondContact OE2-CA 3.36Å; E1446-D1464 PolarHBondContact OE2-N 3.42Å |
| 1447 | R | 94.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 12.6 Ų | 12.6 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.8 | 175.2 | -67.9 | 173.2 | 171.9 | 82.8 | -4.5 | 113.9 | E552 H1043 Y1046 V1428 C1449 V1450 D1464 H1465 E1468 | E552-R1447 IonicContact OE1-CZ 2.74Å; E552-R1447 IonicContact OE1-NE 3.75Å; E552-R1447 IonicContact OE1-NH2 3.58Å; E552-R1447 PolarHBondContact OE1-NH2 3.14Å; E552-R1447 IonicContact OE2-NH2 2.98Å; E552-R1447 PolarHBondContact OE2-NH2 3.13Å; H1043-R1447 WeakPolarHBondContact ND1-CD 3.29Å; H1043-R1447 PolarHBondContact ND1-NE 3Å; Y1046-R1447 WeakPolarHBondContact OH-CD 3.36Å; Y1046-R1447 PolarHBondContact OH-NE 2.82Å; Y1046-R1447 VanDerWaalsContact OH-NE 3.09Å; V1428-R1447 HydrophobicContact CG2-CB 3.85Å; R1447-C1449 PolarHBondContact O-N 3.3Å; R1447-V1450 HydrophobicContact CB-CB 4.15Å; R1447-V1450 HydrophobicContact CB-CG1 4.21Å; R1447-V1450 WeakPolarHBondContact O-CB 3.49Å; R1447-V1450 VanDerWaalsContact O-CG1 3.24Å; R1447-V1450 WeakPolarHBondContact O-CG1 3.31Å; R1447-V1450 PolarHBondContact O-N 2.97Å; R1447-D1464 PolarHBondContact N-O 3.01Å; R1447-H1465 WeakPolarHBondContact CA-O 3.39Å; R1447-H1465 HydrophobicContact CG-CB 3.56Å; R1447-E1468 IonicContact NE-OE2 3.88Å |
| 1448 | F | 96.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 134.5 | 173.8 | 178.6 | -99.8 | 0 | 0 | 0 | 111.1 | C1429 L1438 L1440 A1444 E1446 V1450 V1457 V1459 V1462 C1467 | C1429-F1448 HydrophobicContact CB-CD2 3.87Å; C1429-F1448 HydrophobicContact CB-CE2 4.22Å; L1438-F1448 HydrophobicContact CD2-CE2 4.47Å; L1440-F1448 HydrophobicContact CD1-CE2 3.85Å; L1440-F1448 HydrophobicContact CD1-CZ 4.47Å; A1444-F1448 HydrophobicContact CB-CB 4.29Å; A1444-F1448 HydrophobicContact CB-CD2 3.33Å; A1444-F1448 HydrophobicContact CB-CE2 3.78Å; A1444-F1448 HydrophobicContact CB-CG 4Å; E1446-F1448 PolarHBondContact O-N 3.37Å; F1448-V1450 PolarHBondContact O-N 2.83Å; F1448-V1457 HydrophobicContact CE1-CG1 3.97Å; F1448-V1457 HydrophobicContact CE1-CG2 4.28Å; F1448-V1457 HydrophobicContact CE2-CG2 4.27Å; F1448-V1457 HydrophobicContact CZ-CB 4.36Å; F1448-V1457 HydrophobicContact CZ-CG1 3.98Å; F1448-V1457 HydrophobicContact CZ-CG2 3.46Å; F1448-V1457 VanDerWaalsContact CZ-CG2 3.46Å; F1448-V1459 HydrophobicContact CE1-CG1 3.83Å; F1448-V1459 HydrophobicContact CZ-CB 4.02Å; F1448-V1459 HydrophobicContact CZ-CG1 3.76Å; F1448-V1459 HydrophobicContact CZ-CG2 4.44Å; F1448-V1462 HydrophobicContact CB-CB 4.23Å; F1448-V1462 HydrophobicContact CB-CG1 4.09Å; F1448-V1462 HydrophobicContact CD1-CB 4.39Å; F1448-V1462 HydrophobicContact CD1-CG1 3.47Å; F1448-V1462 VanDerWaalsContact CD1-CG1 3.47Å; F1448-V1462 HydrophobicContact CD2-CG1 4.49Å; F1448-V1462 HydrophobicContact CE1-CG1 3.87Å; F1448-V1462 HydrophobicContact CG-CB 4.45Å; F1448-V1462 HydrophobicContact CG-CG1 3.77Å; F1448-C1467 PolarHBondContact O-N 2.74Å |
| 1449 | C | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 24.4 | -175.5 | -74.8 | 0 | 0 | 0 | 0 | 114.4 | C1429 L1430 R1447 R1451 N1452 | C1429-C1449 PolarHBondContact O-N 3.17Å; L1430-C1449 VanDerWaalsContact CD1-SG 3.59Å; R1447-C1449 PolarHBondContact O-N 3.3Å; C1449-R1451 PolarHBondContact O-N 2.89Å; C1449-N1452 HydrophobicContact CB-CB 3.96Å; C1449-N1452 WeakPolarHBondContact O-CB 3.39Å; C1449-N1452 PolarHBondContact O-N 2.98Å |
| 1450 | V | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 128.8 | 173.7 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | H1043 V1428 Y1431 G1432 R1447 F1448 N1452 E1468 Y1469 | H1043-V1450 HydrophobicContact CB-CG1 4.32Å; H1043-V1450 VanDerWaalsContact CD2-CG2 3.44Å; H1043-V1450 WeakPolarHBondContact CD2-CG2 3.43Å; V1428-V1450 HydrophobicContact CG1-CG1 3.86Å; Y1431-V1450 WeakPolarHBondContact CA-O 3.37Å; Y1431-V1450 HydrophobicContact CD2-CG1 3.7Å; Y1431-V1450 HydrophobicContact CE2-CG1 4.49Å; Y1431-V1450 HydrophobicContact CG-CG1 4.04Å; G1432-V1450 PolarHBondContact N-O 2.62Å; R1447-V1450 HydrophobicContact CB-CB 4.15Å; R1447-V1450 HydrophobicContact CB-CG1 4.21Å; R1447-V1450 WeakPolarHBondContact O-CB 3.49Å; R1447-V1450 VanDerWaalsContact O-CG1 3.24Å; R1447-V1450 WeakPolarHBondContact O-CG1 3.31Å; R1447-V1450 PolarHBondContact O-N 2.97Å; F1448-V1450 PolarHBondContact O-N 2.83Å; V1450-N1452 PolarHBondContact O-N 2.83Å; V1450-N1452 VanDerWaalsContact O-N 3.14Å; V1450-E1468 CarbonylContact C-O 3.5Å; V1450-E1468 VanDerWaalsContact CA-O 3.23Å; V1450-E1468 WeakPolarHBondContact CA-O 3.38Å; V1450-E1468 HydrophobicContact CG2-CB 4.2Å; V1450-Y1469 HydrophobicContact CG2-CD2 4.42Å |
| 1451 | R | 95.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 7.5 Ų | 7.5 | 3% | 0.026 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 32.3 | -177.5 | -100.7 | -57.5 | -25.7 | 123 | 9.1 | 113 | G984 P1039 Y1431 G1432 C1449 S1453 E1468 Y1469 T1471 | G984-R1451 WeakPolarHBondContact O-CD 3.32Å; G984-R1451 PolarHBondContact O-NE 3.26Å; G984-R1451 VanDerWaalsContact O-NE 3.12Å; P1039-R1451 HydrophobicContact CG-CG 4.33Å; Y1431-R1451 HydrophobicContact CD2-CB 3.89Å; Y1431-R1451 HydrophobicContact CE2-CB 3.83Å; Y1431-R1451 HydrophobicContact CE2-CG 4.25Å; G1432-R1451 WeakPolarHBondContact CA-O 3.48Å; G1432-R1451 PolarHBondContact N-O 2.91Å; C1449-R1451 PolarHBondContact O-N 2.89Å; R1451-S1453 PolarHBondContact NH2-OG 3.49Å; R1451-S1453 PolarHBondContact O-N 2.72Å; R1451-E1468 PolarHBondContact N-O 2.58Å; R1451-Y1469 PolarHBondContact NH1-O 3.14Å; R1451-T1471 VanDerWaalsContact CZ-OG1 3.25Å; R1451-T1471 PolarHBondContact NH1-OG1 3.41Å; R1451-T1471 PolarHBondContact NH2-OG1 3.22Å |
| 1452 | N | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | trans | -65.1 | 130.4 | 171.3 | -176.9 | 15.7 | 0 | 0 | 0 | 110.1 | A1433 C1449 V1450 G1454 A1455 M1470 T1471 G1472 | A1433-N1452 PolarHBondContact O-OD1 2.81Å; C1449-N1452 HydrophobicContact CB-CB 3.96Å; C1449-N1452 WeakPolarHBondContact O-CB 3.39Å; C1449-N1452 PolarHBondContact O-N 2.98Å; V1450-N1452 PolarHBondContact O-N 2.83Å; V1450-N1452 VanDerWaalsContact O-N 3.14Å; N1452-G1454 PolarHBondContact OD1-N 3.45Å; N1452-G1454 VanDerWaalsContact OD1-N 3.1Å; N1452-A1455 PolarHBondContact ND2-O 2.86Å; N1452-A1455 VanDerWaalsContact ND2-O 3.13Å; N1452-A1455 WeakPolarHBondContact OD1-CB 3.33Å; N1452-A1455 PolarHBondContact OD1-N 3.09Å; N1452-M1470 HydrophobicContact CB-CG 4.07Å; N1452-M1470 HydrophobicContact CB-SD 4.47Å; N1452-M1470 CarbonylContact O-C 3.09Å; N1452-M1470 WeakPolarHBondContact O-CA 3.3Å; N1452-M1470 WeakPolarHBondContact O-CG 3.31Å; N1452-T1471 PolarHBondContact O-N 3.24Å; N1452-G1472 CarbonylContact C-O 3.52Å; N1452-G1472 PolarHBondContact O-N 2.92Å; N1452-G1472 VanDerWaalsContact O-N 3.14Å; N1452-G1472 VanDerWaalsContact O-O 3.08Å | ||
| 1453 | S | 94.3 | Very high | 95.6 | Very high | 9 Ų | 9 | 6.5 Ų | 6.5 | 6% | 0.063 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -6.1 | -176.2 | -115.3 | 0 | 0 | 0 | 0 | 114 | Y1029 A1433 R1451 T1471 G1472 | Y1029-S1453 WeakPolarHBondContact CB-OG 3.48Å; Y1029-S1453 PolarHBondContact O-OG 2.69Å; A1433-S1453 VanDerWaalsContact O-CA 3.3Å; A1433-S1453 WeakPolarHBondContact O-CA 3.49Å; A1433-S1453 WeakPolarHBondContact O-CB 3.39Å; A1433-S1453 PolarHBondContact O-N 3.16Å; R1451-S1453 PolarHBondContact NH2-OG 3.49Å; R1451-S1453 PolarHBondContact O-N 2.72Å; S1453-T1471 PolarHBondContact OG-OG1 2.85Å; S1453-G1472 VanDerWaalsContact C-C 3.42Å; S1453-G1472 CarbonylContact C-O 3.57Å; S1453-G1472 WeakPolarHBondContact O-CA 3.48Å |
| 1454 | G | 93 | Very high | 95.4 | Very high | 20 Ų | 20 | 5.5 Ų | 5.5 | 21% | 0.206 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.6 | -9.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | A1433 I1434 N1452 G1472 G1473 | A1433-G1454 PolarHBondContact O-N 3.35Å; I1434-G1454 VanDerWaalsContact O-CA 3.24Å; I1434-G1454 WeakPolarHBondContact O-CA 3.44Å; N1452-G1454 PolarHBondContact OD1-N 3.45Å; N1452-G1454 VanDerWaalsContact OD1-N 3.1Å; G1454-G1472 PolarHBondContact N-O 3.49Å; G1454-G1473 VanDerWaalsContact CA-CA 3.49Å |
| 1455 | A | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 145.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1399 L1430 A1433 N1452 G1473 R1474 | L1399-A1455 HydrophobicContact CD2-CB 4.39Å; L1430-A1455 HydrophobicContact CD1-CB 4.44Å; L1430-A1455 HydrophobicContact CD2-CB 4.25Å; A1433-A1455 HydrophobicContact CB-CB 3.75Å; N1452-A1455 PolarHBondContact ND2-O 2.86Å; N1452-A1455 VanDerWaalsContact ND2-O 3.13Å; N1452-A1455 WeakPolarHBondContact OD1-CB 3.33Å; N1452-A1455 PolarHBondContact OD1-N 3.09Å; A1455-G1473 WeakPolarHBondContact O-CA 3.46Å; A1455-R1474 PolarHBondContact O-N 2.87Å |
| 1456 | T | 98 | Very high | 95.4 | Very high | 29 Ų | 29 | 6 Ų | 6 | 18% | 0.178 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127 | 170.3 | -62.5 | 0 | 0 | 0 | 0 | 109.4 | G1436 R1437 L1438 R1474 W1529 I1533 | G1436-T1456 PolarHBondContact O-N 3.11Å; R1437-T1456 VanDerWaalsContact CA-O 3.31Å; R1437-T1456 WeakPolarHBondContact CA-O 3.34Å; L1438-T1456 PolarHBondContact N-O 3.41Å; L1438-T1456 VanDerWaalsContact N-O 3.08Å; T1456-R1474 CarbonylContact C-O 3.57Å; T1456-R1474 VanDerWaalsContact CA-O 3.31Å; T1456-R1474 WeakPolarHBondContact CA-O 3.34Å; T1456-W1529 HydrophobicContact CG2-CH2 4.21Å; T1456-W1529 HydrophobicContact CG2-CZ2 3.77Å; T1456-I1533 HydrophobicContact CG2-CD1 3.92Å; T1456-I1533 HydrophobicContact CG2-CG1 4.03Å |
| 1457 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.6 | -174.6 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | L1430 L1438 F1448 R1474 A1475 V1476 | L1430-V1457 HydrophobicContact CD1-CB 3.79Å; L1430-V1457 HydrophobicContact CD1-CG1 4.14Å; L1430-V1457 HydrophobicContact CD1-CG2 3.82Å; L1438-V1457 HydrophobicContact CB-CB 4.35Å; L1438-V1457 HydrophobicContact CB-CG2 3.81Å; L1438-V1457 HydrophobicContact CD2-CG2 3.97Å; L1438-V1457 HydrophobicContact CG-CG2 3.96Å; L1438-V1457 VanDerWaalsContact O-CA 3.31Å; L1438-V1457 WeakPolarHBondContact O-CA 3.47Å; L1438-V1457 WeakPolarHBondContact O-CG2 3.38Å; F1448-V1457 HydrophobicContact CE1-CG1 3.97Å; F1448-V1457 HydrophobicContact CE1-CG2 4.28Å; F1448-V1457 HydrophobicContact CE2-CG2 4.27Å; F1448-V1457 HydrophobicContact CZ-CB 4.36Å; F1448-V1457 HydrophobicContact CZ-CG1 3.98Å; F1448-V1457 HydrophobicContact CZ-CG2 3.46Å; F1448-V1457 VanDerWaalsContact CZ-CG2 3.46Å; V1457-R1474 PolarHBondContact N-O 2.9Å; V1457-A1475 HydrophobicContact CG1-CB 3.73Å; V1457-V1476 PolarHBondContact O-N 3.41Å |
| 1458 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.1 | 169.7 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | L1438 F1439 L1440 V1476 L1478 I1533 L1534 F1537 | L1438-V1458 PolarHBondContact O-N 3.13Å; F1439-V1458 HydrophobicContact CD1-CB 3.96Å; F1439-V1458 HydrophobicContact CD1-CG2 3.96Å; F1439-V1458 HydrophobicContact CE1-CB 4.35Å; F1439-V1458 HydrophobicContact CE1-CG2 3.83Å; L1440-V1458 PolarHBondContact N-O 3.28Å; V1458-V1476 WeakPolarHBondContact CA-O 3.24Å; V1458-V1476 HydrophobicContact CB-CB 4.48Å; V1458-V1476 HydrophobicContact CG1-CB 4.32Å; V1458-V1476 HydrophobicContact CG1-CG1 4.34Å; V1458-V1476 HydrophobicContact CG2-CB 4.13Å; V1458-V1476 HydrophobicContact CG2-CG2 4.44Å; V1458-L1478 HydrophobicContact CG1-CD1 3.82Å; V1458-L1478 HydrophobicContact CG1-CG 4.14Å; V1458-I1533 HydrophobicContact CG2-CG1 3.93Å; V1458-L1534 HydrophobicContact CG1-CD2 4.09Å; V1458-F1537 HydrophobicContact CB-CB 4.15Å; V1458-F1537 HydrophobicContact CB-CD2 3.64Å; V1458-F1537 HydrophobicContact CB-CE2 4.16Å; V1458-F1537 HydrophobicContact CB-CG 3.89Å; V1458-F1537 HydrophobicContact CG1-CB 3.97Å; V1458-F1537 HydrophobicContact CG1-CD1 3.74Å; V1458-F1537 HydrophobicContact CG1-CD2 3.62Å; V1458-F1537 HydrophobicContact CG1-CE1 4.07Å; V1458-F1537 HydrophobicContact CG1-CE2 3.97Å; V1458-F1537 HydrophobicContact CG1-CG 3.49Å; V1458-F1537 VanDerWaalsContact CG1-CG 3.49Å; V1458-F1537 HydrophobicContact CG1-CZ 4.18Å; V1458-F1537 HydrophobicContact CG2-CB 4.2Å; V1458-F1537 HydrophobicContact CG2-CG 4.49Å |
| 1459 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 152.5 | -176.2 | 65.2 | 0 | 0 | 0 | 0 | 110.9 | L1440 G1442 A1444 F1448 G1461 V1462 V1476 I1477 L1478 | L1440-V1459 HydrophobicContact CB-CB 4.19Å; L1440-V1459 HydrophobicContact CB-CG2 3.86Å; L1440-V1459 HydrophobicContact CD1-CB 4.3Å; L1440-V1459 HydrophobicContact CD1-CG2 3.82Å; L1440-V1459 HydrophobicContact CG-CG2 4.48Å; G1442-V1459 VanDerWaalsContact O-CG2 3.24Å; G1442-V1459 WeakPolarHBondContact O-CG2 3.24Å; A1444-V1459 HydrophobicContact CB-CG2 4.14Å; F1448-V1459 HydrophobicContact CE1-CG1 3.83Å; F1448-V1459 HydrophobicContact CZ-CB 4.02Å; F1448-V1459 HydrophobicContact CZ-CG1 3.76Å; F1448-V1459 HydrophobicContact CZ-CG2 4.44Å; V1459-G1461 VanDerWaalsContact CG2-O 3.29Å; V1459-G1461 WeakPolarHBondContact CG2-O 3.41Å; V1459-V1462 HydrophobicContact CG1-CG1 3.61Å; V1459-V1462 HydrophobicContact CG2-CG1 4.48Å; V1459-V1476 PolarHBondContact N-O 2.98Å; V1459-I1477 HydrophobicContact CG1-CB 4.38Å; V1459-I1477 HydrophobicContact CG1-CG1 3.86Å; V1459-I1477 HydrophobicContact CG1-CG2 4.47Å; V1459-I1477 WeakPolarHBondContact O-CA 3.43Å; V1459-L1478 PolarHBondContact O-N 2.73Å |
| 1460 | E | 96.5 | Very high | 95.4 | Very high | 1 Ų | 1 | 5.7 Ų | 5.7 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -7 | -178 | -60.7 | -176.7 | 163.3 | 0 | 0 | 114.2 | S1419 E1420 G1442 G1479 F1537 S1543 | S1419-E1460 WeakPolarHBondContact CB-OE2 3.39Å; S1419-E1460 PolarHBondContact OG-OE2 3.14Å; E1420-E1460 HydrophobicContact CB-CB 4.49Å; E1420-E1460 PolarHBondContact N-OE2 2.93Å; G1442-E1460 PolarHBondContact N-OE2 3.38Å; G1442-E1460 PolarHBondContact O-N 3.36Å; E1460-G1479 VanDerWaalsContact O-CA 3.25Å; E1460-G1479 WeakPolarHBondContact O-CA 3.39Å; E1460-G1479 PolarHBondContact O-N 3.16Å; E1460-F1537 HydrophobicContact CG-CZ 4.23Å; E1460-S1543 VanDerWaalsContact OE1-CB 3.32Å; E1460-S1543 WeakPolarHBondContact OE1-CB 3.42Å; E1460-S1543 PolarHBondContact OE1-OG 2.64Å |
| 1461 | G | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | 162.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1443 A1444 V1459 R1480 | Q1443-G1461 CarbonylContact C-O 3.55Å; Q1443-G1461 WeakPolarHBondContact CA-O 3.42Å; A1444-G1461 PolarHBondContact N-O 3.02Å; V1459-G1461 VanDerWaalsContact CG2-O 3.29Å; V1459-G1461 WeakPolarHBondContact CG2-O 3.41Å; G1461-R1480 CarbonylContact C-O 3.54Å; G1461-R1480 WeakPolarHBondContact CA-O 3.46Å |
| 1462 | V | 95.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 6.2 Ų | 6.2 | 4% | 0.042 | 4% | 0.042 | C | C | . | . | trans | -142.2 | 157.4 | -176 | -59 | 0 | 0 | 0 | 0 | 112.3 | A1444 F1448 V1459 I1477 R1480 T1481 G1482 F1485 | A1444-V1462 HydrophobicContact CB-CG1 4.45Å; F1448-V1462 HydrophobicContact CB-CB 4.23Å; F1448-V1462 HydrophobicContact CB-CG1 4.09Å; F1448-V1462 HydrophobicContact CD1-CB 4.39Å; F1448-V1462 HydrophobicContact CD1-CG1 3.47Å; F1448-V1462 VanDerWaalsContact CD1-CG1 3.47Å; F1448-V1462 HydrophobicContact CD2-CG1 4.49Å; F1448-V1462 HydrophobicContact CE1-CG1 3.87Å; F1448-V1462 HydrophobicContact CG-CB 4.45Å; F1448-V1462 HydrophobicContact CG-CG1 3.77Å; V1459-V1462 HydrophobicContact CG1-CG1 3.61Å; V1459-V1462 HydrophobicContact CG2-CG1 4.48Å; V1462-I1477 HydrophobicContact CG1-CG1 4.11Å; V1462-I1477 HydrophobicContact CG1-CG2 4.37Å; V1462-I1477 HydrophobicContact CG2-CD1 4.3Å; V1462-I1477 HydrophobicContact CG2-CG2 4.26Å; V1462-R1480 PolarHBondContact N-O 2.98Å; V1462-T1481 HydrophobicContact CG2-CG2 3.86Å; V1462-T1481 CarbonylContact O-C 3.58Å; V1462-T1481 WeakPolarHBondContact O-CA 3.25Å; V1462-G1482 PolarHBondContact O-N 3.01Å; V1462-F1485 HydrophobicContact CG2-CD2 4.4Å; V1462-F1485 HydrophobicContact CG2-CE2 4.14Å | ||
| 1463 | G | 92 | Very high | 94.8 | Very high | 2 Ų | 2 | 7 Ų | 7 | 2% | 0.021 | 5% | 0.051 | C | C | . | . | trans | -76.1 | -168.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | A1444 A1445 E1446 G1482 | A1444-G1463 PolarHBondContact O-N 3.47Å; A1445-G1463 WeakPolarHBondContact O-CA 3.43Å; A1445-G1463 PolarHBondContact O-N 3.26Å; A1445-G1463 VanDerWaalsContact O-N 3.12Å; E1446-G1463 VanDerWaalsContact OE2-C 3.3Å; E1446-G1463 WeakPolarHBondContact OE2-CA 3.49Å; G1463-G1482 VanDerWaalsContact C-CA 3.49Å; G1463-G1482 WeakPolarHBondContact O-CA 3.22Å; G1463-G1482 PolarHBondContact O-N 3.43Å | ||
| 1464 | D | 91.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 10.7 Ų | 10.7 | 10% | 0.102 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 150.7 | 169.1 | -65.8 | -1.7 | 0 | 0 | 0 | 109.4 | E1446 R1447 G1466 G1482 R1483 | E1446-D1464 WeakPolarHBondContact CA-O 3.45Å; E1446-D1464 WeakPolarHBondContact OE2-CA 3.36Å; E1446-D1464 PolarHBondContact OE2-N 3.42Å; R1447-D1464 PolarHBondContact N-O 3.01Å; D1464-G1466 PolarHBondContact O-N 3.42Å; D1464-G1482 WeakPolarHBondContact OD1-CA 3.32Å; D1464-R1483 CarbonylContact C-O 3.36Å; D1464-R1483 VanDerWaalsContact CA-O 3.29Å; D1464-R1483 WeakPolarHBondContact CA-O 3.31Å; D1464-R1483 PolarHBondContact OD1-N 3.3Å; D1464-R1483 IonicContact OD2-NE 3.87Å |
| 1465 | H | 93.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 9.8 Ų | 9.8 | 6% | 0.06 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 29.1 | -178 | -50 | -97.7 | 0 | 0 | 0 | 114.1 | R1447 C1467 E1468 R1483 N1484 | R1447-H1465 WeakPolarHBondContact CA-O 3.39Å; R1447-H1465 HydrophobicContact CG-CB 3.56Å; H1465-C1467 PolarHBondContact O-N 3.42Å; H1465-E1468 HydrophobicContact CB-CB 4.31Å; H1465-E1468 IonicContact ND1-OE1 3.09Å; H1465-E1468 PolarHBondContact ND1-OE1 2.72Å; H1465-E1468 IonicContact ND1-OE2 3.39Å; H1465-E1468 WeakPolarHBondContact O-CB 3.42Å; H1465-E1468 PolarHBondContact O-N 3.07Å; H1465-R1483 PolarHBondContact N-O 3.38Å; H1465-N1484 PolarHBondContact ND1-ND2 3.24Å |
| 1466 | G | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 136.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | D1464 E1468 F1485 A1486 | D1464-G1466 PolarHBondContact O-N 3.42Å; G1466-E1468 PolarHBondContact O-N 3.22Å; G1466-F1485 WeakPolarHBondContact O-CD2 3.44Å; G1466-A1486 PolarHBondContact O-N 3.31Å |
| 1467 | C | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 24.1 | -177.8 | -60.2 | 0 | 0 | 0 | 0 | 115 | F1448 H1465 Y1469 M1470 F1485 M1489 | F1448-C1467 PolarHBondContact O-N 2.74Å; H1465-C1467 PolarHBondContact O-N 3.42Å; C1467-Y1469 PolarHBondContact O-N 2.94Å; C1467-M1470 HydrophobicContact CB-CB 4.31Å; C1467-M1470 HydrophobicContact CB-SD 4.01Å; C1467-M1470 WeakPolarHBondContact O-CB 3.22Å; C1467-M1470 PolarHBondContact O-N 2.85Å; C1467-F1485 HydrophobicContact CB-CE1 4.36Å; C1467-F1485 HydrophobicContact CB-CE2 4.43Å; C1467-F1485 HydrophobicContact CB-CZ 4.03Å; C1467-M1489 HydrophobicContact CB-SD 4.4Å |
| 1468 | E | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | 135.5 | 177.9 | -162.9 | 179.9 | -140.2 | 0 | 0 | 111.4 | H1043 R1447 V1450 R1451 H1465 G1466 M1470 A1487 | H1043-E1468 IonicContact CE1-OE2 3.66Å; H1043-E1468 IonicContact NE2-OE2 3.82Å; R1447-E1468 IonicContact NE-OE2 3.88Å; V1450-E1468 CarbonylContact C-O 3.5Å; V1450-E1468 VanDerWaalsContact CA-O 3.23Å; V1450-E1468 WeakPolarHBondContact CA-O 3.38Å; V1450-E1468 HydrophobicContact CG2-CB 4.2Å; R1451-E1468 PolarHBondContact N-O 2.58Å; H1465-E1468 HydrophobicContact CB-CB 4.31Å; H1465-E1468 IonicContact ND1-OE1 3.09Å; H1465-E1468 PolarHBondContact ND1-OE1 2.72Å; H1465-E1468 IonicContact ND1-OE2 3.39Å; H1465-E1468 WeakPolarHBondContact O-CB 3.42Å; H1465-E1468 PolarHBondContact O-N 3.07Å; G1466-E1468 PolarHBondContact O-N 3.22Å; E1468-M1470 PolarHBondContact O-N 2.88Å; E1468-A1487 CarbonylContact C-O 3.54Å; E1468-A1487 VanDerWaalsContact CA-O 3.26Å; E1468-A1487 WeakPolarHBondContact CA-O 3.17Å; E1468-A1487 HydrophobicContact CG-CB 4.18Å; E1468-A1487 WeakPolarHBondContact CG-O 3.47Å |
| 1469 | Y | 93.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 9.6 Ų | 9.6 | 5% | 0.047 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 19.4 | -174.7 | -57.8 | -86.5 | 0 | 0 | 0 | 116 | D548 R551 P1039 H1043 V1450 R1451 C1467 T1471 A1487 G1488 | D548-Y1469 WeakPolarHBondContact CB-OH 3.47Å; D548-Y1469 PolarHBondContact OD2-OH 2.65Å; R551-Y1469 WeakPolarHBondContact CD-OH 3.43Å; R551-Y1469 HydrophobicContact CG-CE1 4.01Å; P1039-Y1469 HydrophobicContact CB-CD2 4.44Å; P1039-Y1469 HydrophobicContact CB-CE2 4.03Å; P1039-Y1469 HydrophobicContact CG-CD1 4.19Å; P1039-Y1469 HydrophobicContact CG-CD2 3.71Å; P1039-Y1469 HydrophobicContact CG-CE1 4.21Å; P1039-Y1469 HydrophobicContact CG-CE2 3.79Å; P1039-Y1469 HydrophobicContact CG-CG 3.95Å; H1043-Y1469 AromaticContact NE2-CE2 4Å; V1450-Y1469 HydrophobicContact CG2-CD2 4.42Å; R1451-Y1469 PolarHBondContact NH1-O 3.14Å; C1467-Y1469 PolarHBondContact O-N 2.94Å; Y1469-T1471 PolarHBondContact O-N 3.31Å; Y1469-A1487 PolarHBondContact N-O 3.02Å; Y1469-G1488 WeakPolarHBondContact CA-O 3.25Å |
| 1470 | M | 94.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -62.1 | 132.2 | 178.9 | 176 | 177 | -179.9 | 0 | 0 | 110.7 | N1452 C1467 E1468 G1472 G1473 M1489 S1490 G1491 | N1452-M1470 HydrophobicContact CB-CG 4.07Å; N1452-M1470 HydrophobicContact CB-SD 4.47Å; N1452-M1470 CarbonylContact O-C 3.09Å; N1452-M1470 WeakPolarHBondContact O-CA 3.3Å; N1452-M1470 WeakPolarHBondContact O-CG 3.31Å; C1467-M1470 HydrophobicContact CB-CB 4.31Å; C1467-M1470 HydrophobicContact CB-SD 4.01Å; C1467-M1470 WeakPolarHBondContact O-CB 3.22Å; C1467-M1470 PolarHBondContact O-N 2.85Å; E1468-M1470 PolarHBondContact O-N 2.88Å; M1470-G1472 WeakPolarHBondContact CE-O 3.43Å; M1470-G1473 VanDerWaalsContact CE-O 3.28Å; M1470-G1473 WeakPolarHBondContact CE-O 3.46Å; M1470-M1489 HydrophobicContact CB-CG 4.01Å; M1470-M1489 HydrophobicContact CG-CE 4.41Å; M1470-M1489 CarbonylContact O-C 3.37Å; M1470-M1489 WeakPolarHBondContact O-CA 3.42Å; M1470-M1489 HydrophobicContact SD-CE 3.94Å; M1470-S1490 PolarHBondContact O-N 3.1Å; M1470-G1491 CarbonylContact C-O 3.53Å; M1470-G1491 PolarHBondContact O-N 3.24Å; M1470-G1491 VanDerWaalsContact O-N 3.12Å; M1470-G1491 VanDerWaalsContact O-O 3.05Å | ||
| 1471 | T | 90.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 5% | 0.049 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | -11.8 | 177.2 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | Y1029 R1451 N1452 S1453 Y1469 S1490 G1491 | Y1029-T1471 PolarHBondContact O-OG1 3.44Å; Y1029-T1471 VanDerWaalsContact O-OG1 3.09Å; R1451-T1471 VanDerWaalsContact CZ-OG1 3.25Å; R1451-T1471 PolarHBondContact NH1-OG1 3.41Å; R1451-T1471 PolarHBondContact NH2-OG1 3.22Å; N1452-T1471 PolarHBondContact O-N 3.24Å; S1453-T1471 PolarHBondContact OG-OG1 2.85Å; Y1469-T1471 PolarHBondContact O-N 3.31Å; T1471-S1490 WeakPolarHBondContact CG2-OG 3.39Å; T1471-G1491 CarbonylContact C-O 3.59Å; T1471-G1491 CarbonylContact O-C 3.44Å; T1471-G1491 VanDerWaalsContact O-C 3.29Å; T1471-G1491 VanDerWaalsContact O-CA 3.28Å; T1471-G1491 WeakPolarHBondContact O-CA 3.21Å |
| 1472 | G | 90.9 | Very high | 94 | Very high | 11 Ų | 11 | 19.8 Ų | 19.8 | 11% | 0.113 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.5 | 172 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112 | N1452 S1453 G1454 M1470 | N1452-G1472 CarbonylContact C-O 3.52Å; N1452-G1472 PolarHBondContact O-N 2.92Å; N1452-G1472 VanDerWaalsContact O-N 3.14Å; N1452-G1472 VanDerWaalsContact O-O 3.08Å; S1453-G1472 VanDerWaalsContact C-C 3.42Å; S1453-G1472 CarbonylContact C-O 3.57Å; S1453-G1472 WeakPolarHBondContact O-CA 3.48Å; G1454-G1472 PolarHBondContact N-O 3.49Å; M1470-G1472 WeakPolarHBondContact CE-O 3.43Å |
| 1473 | G | 93.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 18% | 0.175 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.5 | -174.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1454 A1455 M1470 G1492 L1493 | G1454-G1473 VanDerWaalsContact CA-CA 3.49Å; A1455-G1473 WeakPolarHBondContact O-CA 3.46Å; M1470-G1473 VanDerWaalsContact CE-O 3.28Å; M1470-G1473 WeakPolarHBondContact CE-O 3.46Å; G1473-G1492 WeakPolarHBondContact O-CA 3.38Å; G1473-L1493 PolarHBondContact O-N 3.41Å; G1473-L1493 VanDerWaalsContact O-N 3.11Å |
| 1474 | R | 96.7 | Very high | 93.6 | Very high | 86 Ų | 86 | 22.8 Ų | 22.8 | 33% | 0.325 | 11% | 0.109 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 122 | -177.5 | -63.1 | 179.9 | -176.2 | 163.9 | 2.8 | 110.5 | A1455 T1456 V1457 L1493 W1529 | A1455-R1474 PolarHBondContact O-N 2.87Å; T1456-R1474 CarbonylContact C-O 3.57Å; T1456-R1474 VanDerWaalsContact CA-O 3.31Å; T1456-R1474 WeakPolarHBondContact CA-O 3.34Å; V1457-R1474 PolarHBondContact N-O 2.9Å; R1474-L1493 VanDerWaalsContact CA-O 3.3Å; R1474-L1493 WeakPolarHBondContact CA-O 3.48Å; R1474-W1529 HydrophobicContact CB-CH2 3.48Å; R1474-W1529 VanDerWaalsContact CB-CH2 3.48Å; R1474-W1529 HydrophobicContact CB-CZ2 3.99Å; R1474-W1529 HydrophobicContact CB-CZ3 4.22Å; R1474-W1529 HydrophobicContact CG-CH2 4.02Å; R1474-W1529 HydrophobicContact CG-CZ2 4.26Å; R1474-W1529 VanDerWaalsContact NH1-CD2 3.31Å |
| 1475 | A | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 124 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V1457 L1493 A1494 F1495 | V1457-A1475 HydrophobicContact CG1-CB 3.73Å; A1475-L1493 PolarHBondContact N-O 2.88Å; A1475-A1494 HydrophobicContact CB-CB 4.27Å; A1475-A1494 CarbonylContact O-C 3.47Å; A1475-A1494 VanDerWaalsContact O-CA 3.24Å; A1475-A1494 WeakPolarHBondContact O-CA 3.5Å; A1475-F1495 PolarHBondContact O-N 2.91Å |
| 1476 | V | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.2 | 175.1 | -175 | 0 | 0 | 0 | 0 | 108.8 | V1457 V1458 V1459 L1478 F1495 W1529 L1530 I1533 L1534 F1560 | V1457-V1476 PolarHBondContact O-N 3.41Å; V1458-V1476 WeakPolarHBondContact CA-O 3.24Å; V1458-V1476 HydrophobicContact CB-CB 4.48Å; V1458-V1476 HydrophobicContact CG1-CB 4.32Å; V1458-V1476 HydrophobicContact CG1-CG1 4.34Å; V1458-V1476 HydrophobicContact CG2-CB 4.13Å; V1458-V1476 HydrophobicContact CG2-CG2 4.44Å; V1459-V1476 PolarHBondContact N-O 2.98Å; V1476-L1478 HydrophobicContact CG1-CD2 3.77Å; V1476-F1495 WeakPolarHBondContact CA-O 3.22Å; V1476-F1495 HydrophobicContact CG2-CB 4.4Å; V1476-F1495 HydrophobicContact CG2-CD2 4.17Å; V1476-W1529 HydrophobicContact CG2-CH2 4.13Å; V1476-W1529 HydrophobicContact CG2-CZ3 4.18Å; V1476-L1530 HydrophobicContact CB-CD1 4.39Å; V1476-L1530 HydrophobicContact CG1-CD1 3.78Å; V1476-L1530 HydrophobicContact CG2-CD1 3.64Å; V1476-I1533 HydrophobicContact CG2-CG2 4.23Å; V1476-L1534 HydrophobicContact CG1-CD2 4.22Å; V1476-F1560 HydrophobicContact CG1-CE1 4.24Å |
| 1477 | I | 97.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.2 | -175.3 | -61.1 | 146.5 | 0 | 0 | 0 | 107.9 | V1459 V1462 G1479 T1481 F1485 F1495 V1496 Y1497 | V1459-I1477 HydrophobicContact CG1-CB 4.38Å; V1459-I1477 HydrophobicContact CG1-CG1 3.86Å; V1459-I1477 HydrophobicContact CG1-CG2 4.47Å; V1459-I1477 WeakPolarHBondContact O-CA 3.43Å; V1462-I1477 HydrophobicContact CG1-CG1 4.11Å; V1462-I1477 HydrophobicContact CG1-CG2 4.37Å; V1462-I1477 HydrophobicContact CG2-CD1 4.3Å; V1462-I1477 HydrophobicContact CG2-CG2 4.26Å; I1477-G1479 VanDerWaalsContact C-N 3.3Å; I1477-G1479 PolarHBondContact O-N 3.36Å; I1477-T1481 HydrophobicContact CG2-CG2 4.1Å; I1477-F1485 HydrophobicContact CD1-CE2 3.54Å; I1477-F1485 HydrophobicContact CD1-CZ 3.51Å; I1477-F1495 PolarHBondContact N-O 2.78Å; I1477-V1496 HydrophobicContact CB-CG2 4.4Å; I1477-V1496 HydrophobicContact CD1-CG2 3.93Å; I1477-Y1497 PolarHBondContact O-N 2.89Å |
| 1478 | L | 96 | Very high | 93.5 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | trans | -91.8 | 16.5 | -172.5 | -53.5 | -179.1 | 0 | 0 | 0 | 113.8 | V1458 V1459 V1476 L1534 F1537 V1545 I1549 F1560 | V1458-L1478 HydrophobicContact CG1-CD1 3.82Å; V1458-L1478 HydrophobicContact CG1-CG 4.14Å; V1459-L1478 PolarHBondContact O-N 2.73Å; V1476-L1478 HydrophobicContact CG1-CD2 3.77Å; L1478-L1534 HydrophobicContact CD1-CD2 3.81Å; L1478-L1534 HydrophobicContact CD2-CD2 3.59Å; L1478-L1534 HydrophobicContact CG-CD2 4.26Å; L1478-F1537 HydrophobicContact CD1-CD1 3.93Å; L1478-F1537 HydrophobicContact CD1-CE1 3.59Å; L1478-F1537 HydrophobicContact CD1-CZ 4.39Å; L1478-V1545 HydrophobicContact CB-CG1 4.04Å; L1478-I1549 HydrophobicContact CB-CD1 4.34Å; L1478-I1549 HydrophobicContact CD2-CD1 3.96Å; L1478-F1560 HydrophobicContact CD2-CE1 4.03Å; L1478-F1560 HydrophobicContact CD2-CZ 3.83Å | ||
| 1479 | G | 91.2 | Very high | 93.4 | Very high | 20 Ų | 20 | 21.7 Ų | 21.7 | 21% | 0.206 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -167.2 | -150.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | E1460 I1477 | E1460-G1479 VanDerWaalsContact O-CA 3.25Å; E1460-G1479 WeakPolarHBondContact O-CA 3.39Å; E1460-G1479 PolarHBondContact O-N 3.16Å; I1477-G1479 VanDerWaalsContact C-N 3.3Å; I1477-G1479 PolarHBondContact O-N 3.36Å |
| 1480 | R | 90.6 | Very high | 93.2 | Very high | 197 Ų | 197 | 21.8 Ų | 21.8 | 74% | 0.743 | 11% | 0.108 | S | C | * | . | trans | -67.8 | 147.2 | -170 | -64 | 179.6 | 179.9 | 174.1 | 1.1 | 112.3 | G1461 V1462 | G1461-R1480 CarbonylContact C-O 3.54Å; G1461-R1480 WeakPolarHBondContact CA-O 3.46Å; V1462-R1480 PolarHBondContact N-O 2.98Å | ||
| 1481 | T | 93.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 6% | 0.061 | 11% | 0.108 | C | C | . | . | trans | -113.8 | 160 | 170.8 | 65.2 | 0 | 0 | 0 | 0 | 111.1 | V1462 I1477 F1485 V1496 F1506 K1509 | V1462-T1481 HydrophobicContact CG2-CG2 3.86Å; V1462-T1481 CarbonylContact O-C 3.58Å; V1462-T1481 WeakPolarHBondContact O-CA 3.25Å; I1477-T1481 HydrophobicContact CG2-CG2 4.1Å; T1481-F1485 HydrophobicContact CG2-CD2 4.09Å; T1481-F1485 HydrophobicContact CG2-CE2 4.16Å; T1481-V1496 HydrophobicContact CG2-CG1 3.79Å; T1481-V1496 HydrophobicContact CG2-CG2 4.49Å; T1481-F1506 HydrophobicContact CG2-CD2 3.94Å; T1481-F1506 HydrophobicContact CG2-CE2 3.93Å; T1481-F1506 VanDerWaalsContact OG1-CD2 3.29Å; T1481-F1506 WeakPolarHBondContact OG1-CD2 3.45Å; T1481-K1509 WeakPolarHBondContact O-CD 3.22Å; T1481-K1509 PolarHBondContact O-NZ 3.47Å | ||
| 1482 | G | 89.3 | Confident | 92.9 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 7% | 0.072 | 11% | 0.107 | C | C | . | . | trans | -91.4 | -177.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114 | V1462 G1463 D1464 K1509 | V1462-G1482 PolarHBondContact O-N 3.01Å; G1463-G1482 VanDerWaalsContact C-CA 3.49Å; G1463-G1482 WeakPolarHBondContact O-CA 3.22Å; G1463-G1482 PolarHBondContact O-N 3.43Å; D1464-G1482 WeakPolarHBondContact OD1-CA 3.32Å; G1482-K1509 WeakPolarHBondContact O-CB 3.31Å | ||
| 1483 | R | 89.2 | Confident | 93.1 | Very high | 61 Ų | 61 | 21.3 Ų | 21.3 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -70 | 158.6 | -177.4 | -67.4 | -178.9 | -84.3 | -167.8 | -3.5 | 112.2 | D1464 H1465 F1485 K1509 | D1464-R1483 CarbonylContact C-O 3.36Å; D1464-R1483 VanDerWaalsContact CA-O 3.29Å; D1464-R1483 WeakPolarHBondContact CA-O 3.31Å; D1464-R1483 PolarHBondContact OD1-N 3.3Å; D1464-R1483 IonicContact OD2-NE 3.87Å; H1465-R1483 PolarHBondContact N-O 3.38Å; R1483-F1485 PolarHBondContact O-N 3.35Å; R1483-K1509 CarbonylContact C-O 3.46Å; R1483-K1509 HydrophobicContact CG-CG 4.5Å |
| 1484 | N | 91.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.064 | 9% | 0.094 | C | C | . | . | S | Bend | trans | 58.1 | 32.3 | 177.6 | -156.6 | 40.4 | 0 | 0 | 0 | 113.6 | R551 H1465 A1487 K1509 N1511 | R551-N1484 PolarHBondContact O-ND2 3.19Å; R551-N1484 PolarHBondContact O-OD1 2.64Å; H1465-N1484 PolarHBondContact ND1-ND2 3.24Å; N1484-A1487 WeakPolarHBondContact ND2-CB 3.4Å; N1484-A1487 PolarHBondContact O-N 3.21Å; N1484-K1509 WeakPolarHBondContact CA-O 3.31Å; N1484-K1509 PolarHBondContact N-O 3.36Å; N1484-N1511 PolarHBondContact OD1-ND2 3.46Å |
| 1485 | F | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -61.6 | 139.8 | 178.3 | -172 | -86.4 | 0 | 0 | 0 | 110.6 | V1462 G1466 C1467 I1477 T1481 R1483 A1487 A1494 V1496 F1506 K1509 N1511 V1563 | V1462-F1485 HydrophobicContact CG2-CD2 4.4Å; V1462-F1485 HydrophobicContact CG2-CE2 4.14Å; G1466-F1485 WeakPolarHBondContact O-CD2 3.44Å; C1467-F1485 HydrophobicContact CB-CE1 4.36Å; C1467-F1485 HydrophobicContact CB-CE2 4.43Å; C1467-F1485 HydrophobicContact CB-CZ 4.03Å; I1477-F1485 HydrophobicContact CD1-CE2 3.54Å; I1477-F1485 HydrophobicContact CD1-CZ 3.51Å; T1481-F1485 HydrophobicContact CG2-CD2 4.09Å; T1481-F1485 HydrophobicContact CG2-CE2 4.16Å; R1483-F1485 PolarHBondContact O-N 3.35Å; F1485-A1487 VanDerWaalsContact C-N 3.26Å; F1485-A1487 PolarHBondContact O-N 2.96Å; F1485-A1494 HydrophobicContact CE1-CB 4.25Å; F1485-A1494 HydrophobicContact CZ-CB 4.15Å; F1485-V1496 HydrophobicContact CE1-CG2 4.41Å; F1485-V1496 HydrophobicContact CZ-CG2 4.21Å; F1485-F1506 HydrophobicContact CB-CE2 4.37Å; F1485-F1506 AromaticContact CD1-CE2 3.74Å; F1485-F1506 HydrophobicContact CD1-CE2 3.74Å; F1485-F1506 AromaticContact CD1-CZ 3.9Å; F1485-F1506 HydrophobicContact CD1-CZ 3.9Å; F1485-F1506 HydrophobicContact CD2-CE2 4.48Å; F1485-F1506 HydrophobicContact CE1-CE2 4.15Å; F1485-F1506 HydrophobicContact CE1-CZ 4.06Å; F1485-F1506 AromaticContact CG-CE2 3.94Å; F1485-F1506 HydrophobicContact CG-CE2 3.94Å; F1485-K1509 PolarHBondContact N-O 2.96Å; F1485-N1511 PolarHBondContact O-N 3.16Å; F1485-V1563 HydrophobicContact CE1-CG2 4.09Å |
| 1486 | A | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.008 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 21.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1466 G1488 M1489 I1515 V1563 | G1466-A1486 PolarHBondContact O-N 3.31Å; A1486-G1488 PolarHBondContact O-N 2.88Å; A1486-M1489 HydrophobicContact CB-CB 3.87Å; A1486-M1489 HydrophobicContact CB-CG 4.48Å; A1486-M1489 HydrophobicContact CB-SD 3.81Å; A1486-M1489 WeakPolarHBondContact O-CB 3.43Å; A1486-M1489 PolarHBondContact O-N 2.79Å; A1486-I1515 HydrophobicContact CB-CD1 3.94Å; A1486-I1515 HydrophobicContact CB-CG2 4.21Å; A1486-V1563 HydrophobicContact CB-CG1 4.1Å |
| 1487 | A | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 125.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R551 E1468 Y1469 N1484 F1485 M1489 N1511 | R551-A1487 HydrophobicContact CB-CB 4.25Å; E1468-A1487 CarbonylContact C-O 3.54Å; E1468-A1487 VanDerWaalsContact CA-O 3.26Å; E1468-A1487 WeakPolarHBondContact CA-O 3.17Å; E1468-A1487 HydrophobicContact CG-CB 4.18Å; E1468-A1487 WeakPolarHBondContact CG-O 3.47Å; Y1469-A1487 PolarHBondContact N-O 3.02Å; N1484-A1487 WeakPolarHBondContact ND2-CB 3.4Å; N1484-A1487 PolarHBondContact O-N 3.21Å; F1485-A1487 VanDerWaalsContact C-N 3.26Å; F1485-A1487 PolarHBondContact O-N 2.96Å; A1487-M1489 PolarHBondContact O-N 3.31Å; A1487-N1511 HydrophobicContact CB-CB 3.91Å |
| 1488 | G | 90 | Very high | 92.9 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 8% | 0.082 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 8.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y1469 A1486 S1490 | Y1469-G1488 WeakPolarHBondContact CA-O 3.25Å; A1486-G1488 PolarHBondContact O-N 2.88Å; G1488-S1490 PolarHBondContact O-N 3.23Å; G1488-S1490 VanDerWaalsContact O-N 3.11Å |
| 1489 | M | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -67.6 | 108.8 | 178.3 | -178.1 | -179.3 | 176.5 | 0 | 0 | 110.3 | C1467 M1470 A1486 A1487 G1492 I1515 V1563 P1565 | C1467-M1489 HydrophobicContact CB-SD 4.4Å; M1470-M1489 HydrophobicContact CB-CG 4.01Å; M1470-M1489 HydrophobicContact CG-CE 4.41Å; M1470-M1489 CarbonylContact O-C 3.37Å; M1470-M1489 WeakPolarHBondContact O-CA 3.42Å; M1470-M1489 HydrophobicContact SD-CE 3.94Å; A1486-M1489 HydrophobicContact CB-CB 3.87Å; A1486-M1489 HydrophobicContact CB-CG 4.48Å; A1486-M1489 HydrophobicContact CB-SD 3.81Å; A1486-M1489 WeakPolarHBondContact O-CB 3.43Å; A1486-M1489 PolarHBondContact O-N 2.79Å; A1487-M1489 PolarHBondContact O-N 3.31Å; M1489-G1492 WeakPolarHBondContact CE-O 3.48Å; M1489-I1515 HydrophobicContact CB-CG2 4.2Å; M1489-I1515 HydrophobicContact SD-CG2 4.43Å; M1489-V1563 HydrophobicContact SD-CG1 4.09Å; M1489-P1565 HydrophobicContact CE-CG 3.81Å; M1489-P1565 HydrophobicContact CG-CG 3.79Å; M1489-P1565 HydrophobicContact SD-CG 4.2Å | ||
| 1490 | S | 89.1 | Confident | 92.2 | Very high | 14 Ų | 14 | 27.6 Ų | 27.6 | 10% | 0.098 | 14% | 0.135 | C | C | . | . | trans | -110.8 | -4.1 | -174.8 | 77.6 | 0 | 0 | 0 | 0 | 113.6 | M1470 T1471 G1488 | M1470-S1490 PolarHBondContact O-N 3.1Å; T1471-S1490 WeakPolarHBondContact CG2-OG 3.39Å; G1488-S1490 PolarHBondContact O-N 3.23Å; G1488-S1490 VanDerWaalsContact O-N 3.11Å | ||
| 1491 | G | 88.4 | Confident | 91.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1470 T1471 | M1470-G1491 CarbonylContact C-O 3.53Å; M1470-G1491 PolarHBondContact O-N 3.24Å; M1470-G1491 VanDerWaalsContact O-N 3.12Å; M1470-G1491 VanDerWaalsContact O-O 3.05Å; T1471-G1491 CarbonylContact C-O 3.59Å; T1471-G1491 CarbonylContact O-C 3.44Å; T1471-G1491 VanDerWaalsContact O-C 3.29Å; T1471-G1491 VanDerWaalsContact O-CA 3.28Å; T1471-G1491 WeakPolarHBondContact O-CA 3.21Å |
| 1492 | G | 90.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.2 | 179.6 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | G1473 M1489 P1565 | G1473-G1492 WeakPolarHBondContact O-CA 3.38Å; M1489-G1492 WeakPolarHBondContact CE-O 3.48Å; G1492-P1565 VanDerWaalsContact O-CD 3.3Å; G1492-P1565 WeakPolarHBondContact O-CD 3.47Å |
| 1493 | L | 95.5 | Very high | 91 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 141.3 | -179.2 | -60.4 | 175.1 | 0 | 0 | 0 | 110.7 | G1473 R1474 A1475 F1495 Y1526 L1562 F1564 Y1568 | G1473-L1493 PolarHBondContact O-N 3.41Å; G1473-L1493 VanDerWaalsContact O-N 3.11Å; R1474-L1493 VanDerWaalsContact CA-O 3.3Å; R1474-L1493 WeakPolarHBondContact CA-O 3.48Å; A1475-L1493 PolarHBondContact N-O 2.88Å; L1493-F1495 HydrophobicContact CB-CE2 3.95Å; L1493-F1495 HydrophobicContact CB-CZ 4.29Å; L1493-F1495 HydrophobicContact CD1-CZ 4.26Å; L1493-Y1526 HydrophobicContact CD1-CD1 4.13Å; L1493-Y1526 HydrophobicContact CD1-CD2 4.5Å; L1493-Y1526 HydrophobicContact CD1-CE1 3.75Å; L1493-Y1526 HydrophobicContact CD1-CE2 4.17Å; L1493-Y1526 HydrophobicContact CD1-CG 4.49Å; L1493-L1562 HydrophobicContact CB-CD1 4.32Å; L1493-L1562 HydrophobicContact CD2-CD1 4.27Å; L1493-F1564 HydrophobicContact CD2-CD1 4.14Å; L1493-F1564 HydrophobicContact CD2-CD2 3.72Å; L1493-F1564 HydrophobicContact CD2-CE1 4.12Å; L1493-F1564 HydrophobicContact CD2-CE2 3.71Å; L1493-F1564 HydrophobicContact CD2-CG 3.93Å; L1493-F1564 HydrophobicContact CD2-CZ 3.9Å; L1493-Y1568 HydrophobicContact CD2-CE1 4.28Å |
| 1494 | A | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1475 F1485 V1563 | A1475-A1494 HydrophobicContact CB-CB 4.27Å; A1475-A1494 CarbonylContact O-C 3.47Å; A1475-A1494 VanDerWaalsContact O-CA 3.24Å; A1475-A1494 WeakPolarHBondContact O-CA 3.5Å; F1485-A1494 HydrophobicContact CE1-CB 4.25Å; F1485-A1494 HydrophobicContact CZ-CB 4.15Å; A1494-V1563 HydrophobicContact CB-CB 4.07Å; A1494-V1563 HydrophobicContact CB-CG2 4.24Å; A1494-V1563 PolarHBondContact N-O 2.89Å; A1494-V1563 PolarHBondContact O-N 3.05Å |
| 1495 | F | 97 | Very high | 90 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112 | 179.3 | -57 | -96 | 0 | 0 | 0 | 107.9 | A1475 V1476 I1477 L1493 M1520 Y1526 W1529 L1530 F1560 L1562 | A1475-F1495 PolarHBondContact O-N 2.91Å; V1476-F1495 WeakPolarHBondContact CA-O 3.22Å; V1476-F1495 HydrophobicContact CG2-CB 4.4Å; V1476-F1495 HydrophobicContact CG2-CD2 4.17Å; I1477-F1495 PolarHBondContact N-O 2.78Å; L1493-F1495 HydrophobicContact CB-CE2 3.95Å; L1493-F1495 HydrophobicContact CB-CZ 4.29Å; L1493-F1495 HydrophobicContact CD1-CZ 4.26Å; F1495-M1520 HydrophobicContact CD1-CE 4.19Å; F1495-M1520 HydrophobicContact CD1-SD 4.28Å; F1495-M1520 HydrophobicContact CE1-CE 3.95Å; F1495-M1520 HydrophobicContact CE1-SD 4.15Å; F1495-Y1526 HydrophobicContact CE1-CG 4.42Å; F1495-Y1526 HydrophobicContact CZ-CG 4.23Å; F1495-W1529 HydrophobicContact CD2-CZ3 4.01Å; F1495-W1529 HydrophobicContact CE2-CE3 4.19Å; F1495-W1529 HydrophobicContact CE2-CH2 4.42Å; F1495-W1529 AromaticContact CE2-CZ3 3.54Å; F1495-W1529 HydrophobicContact CE2-CZ3 3.54Å; F1495-W1529 HydrophobicContact CZ-CE3 4.27Å; F1495-W1529 HydrophobicContact CZ-CZ3 4.07Å; F1495-L1530 HydrophobicContact CB-CD1 4.03Å; F1495-L1530 HydrophobicContact CB-CD2 4.48Å; F1495-L1530 HydrophobicContact CD1-CD1 4.28Å; F1495-L1530 HydrophobicContact CD1-CD2 4.06Å; F1495-L1530 HydrophobicContact CD2-CD1 4.42Å; F1495-L1530 HydrophobicContact CG-CD1 4Å; F1495-L1530 HydrophobicContact CG-CD2 4.48Å; F1495-F1560 HydrophobicContact CB-CD1 4.17Å; F1495-L1562 HydrophobicContact CD1-CD1 3.97Å; F1495-L1562 HydrophobicContact CE1-CD1 3.65Å; F1495-L1562 HydrophobicContact CZ-CD1 3.95Å |
| 1496 | V | 96.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 121.9 | -174.9 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | I1477 T1481 F1485 D1498 F1506 F1560 V1561 V1563 | I1477-V1496 HydrophobicContact CB-CG2 4.4Å; I1477-V1496 HydrophobicContact CD1-CG2 3.93Å; T1481-V1496 HydrophobicContact CG2-CG1 3.79Å; T1481-V1496 HydrophobicContact CG2-CG2 4.49Å; F1485-V1496 HydrophobicContact CE1-CG2 4.41Å; F1485-V1496 HydrophobicContact CZ-CG2 4.21Å; V1496-D1498 PolarHBondContact O-N 2.82Å; V1496-F1506 HydrophobicContact CB-CD1 4.29Å; V1496-F1506 HydrophobicContact CB-CE1 3.95Å; V1496-F1506 HydrophobicContact CB-CE2 4.25Å; V1496-F1506 HydrophobicContact CB-CZ 3.93Å; V1496-F1506 HydrophobicContact CG1-CD1 4.24Å; V1496-F1506 HydrophobicContact CG1-CD2 3.97Å; V1496-F1506 HydrophobicContact CG1-CE1 4.3Å; V1496-F1506 HydrophobicContact CG1-CE2 4.03Å; V1496-F1506 HydrophobicContact CG1-CG 4.07Å; V1496-F1506 HydrophobicContact CG1-CZ 4.19Å; V1496-F1506 HydrophobicContact CG2-CE1 4.01Å; V1496-F1506 HydrophobicContact CG2-CE2 3.86Å; V1496-F1506 HydrophobicContact CG2-CZ 3.51Å; V1496-F1560 CarbonylContact O-C 3.51Å; V1496-F1560 WeakPolarHBondContact O-CA 3.28Å; V1496-V1561 PolarHBondContact N-O 2.86Å; V1496-V1561 PolarHBondContact O-N 2.95Å; V1496-V1563 HydrophobicContact CG2-CG2 4.44Å |
| 1497 | Y | 95.3 | Very high | 89.5 | Confident | 41 Ų | 41 | 31.9 Ų | 31.9 | 16% | 0.161 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 106.4 | 174.6 | -173.1 | -103.8 | 0 | 0 | 0 | 110 | I1477 P1499 I1549 H1559 F1560 | I1477-Y1497 PolarHBondContact O-N 2.89Å; Y1497-P1499 HydrophobicContact CD1-CG 4.44Å; Y1497-P1499 HydrophobicContact CE1-CG 3.9Å; Y1497-I1549 HydrophobicContact CD1-CD1 4.07Å; Y1497-I1549 HydrophobicContact CD2-CD1 4.03Å; Y1497-I1549 HydrophobicContact CD2-CG1 4.43Å; Y1497-I1549 HydrophobicContact CE1-CD1 4.2Å; Y1497-I1549 HydrophobicContact CE1-CG1 4.34Å; Y1497-I1549 HydrophobicContact CE2-CD1 4.14Å; Y1497-I1549 HydrophobicContact CE2-CG1 4.05Å; Y1497-I1549 HydrophobicContact CG-CD1 3.98Å; Y1497-H1559 HydrophobicContact CD2-CB 4.02Å; Y1497-H1559 HydrophobicContact CE2-CB 3.61Å; Y1497-H1559 PolarHBondContact OH-ND1 2.88Å; Y1497-F1560 HydrophobicContact CD2-CD1 4.47Å; Y1497-F1560 AromaticContact CD2-CD2 3.78Å; Y1497-F1560 HydrophobicContact CD2-CD2 3.78Å; Y1497-F1560 HydrophobicContact CD2-CE1 4.23Å; Y1497-F1560 AromaticContact CD2-CE2 3.5Å; Y1497-F1560 HydrophobicContact CD2-CE2 3.5Å; Y1497-F1560 HydrophobicContact CD2-CG 4.27Å; Y1497-F1560 AromaticContact CD2-CZ 3.75Å; Y1497-F1560 HydrophobicContact CD2-CZ 3.75Å; Y1497-F1560 HydrophobicContact CE2-CD2 4.49Å; Y1497-F1560 HydrophobicContact CE2-CE2 4.2Å; Y1497-F1560 HydrophobicContact CG-CE1 4.43Å; Y1497-F1560 HydrophobicContact CG-CE2 4.4Å; Y1497-F1560 HydrophobicContact CG-CZ 4.21Å |
| 1498 | D | 92.5 | Very high | 89 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | trans | -121.6 | 111.1 | 171.3 | -170.8 | -24.5 | 0 | 0 | 0 | 108.4 | V1496 L1500 G1501 G1504 F1506 H1559 | V1496-D1498 PolarHBondContact O-N 2.82Å; D1498-L1500 PolarHBondContact O-N 3.43Å; D1498-L1500 PolarHBondContact OD1-N 3.11Å; D1498-G1501 WeakPolarHBondContact O-CA 3.39Å; D1498-G1501 PolarHBondContact O-N 2.99Å; D1498-G1504 WeakPolarHBondContact OD2-CA 3.39Å; D1498-F1506 HydrophobicContact CB-CB 4.36Å; D1498-F1506 VanDerWaalsContact OD2-CB 3.31Å; D1498-F1506 WeakPolarHBondContact OD2-CB 3.21Å; D1498-F1506 PolarHBondContact OD2-N 3.4Å; D1498-H1559 CarbonylContact C-O 3.55Å; D1498-H1559 PolarHBondContact N-O 3.28Å; D1498-H1559 WeakPolarHBondContact O-CB 3.49Å | ||
| 1499 | P | 87.7 | Confident | 89 | Confident | 78 Ų | 78 | 40.4 Ų | 40.4 | 51% | 0.506 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -20.8 | 179.1 | -27 | 34.7 | 0 | 0 | 0 | 115 | Y1497 | Y1497-P1499 HydrophobicContact CD1-CG 4.44Å; Y1497-P1499 HydrophobicContact CE1-CG 3.9Å |
| 1500 | L | 85.3 | Confident | 88.9 | Confident | 120 Ų | 120 | 41 Ų | 41 | 63% | 0.628 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -1 | 176.7 | -63.1 | 176.2 | 0 | 0 | 0 | 113.3 | D1498 N1503 | D1498-L1500 PolarHBondContact O-N 3.43Å; D1498-L1500 PolarHBondContact OD1-N 3.11Å; L1500-N1503 PolarHBondContact O-N 3.04Å |
| 1501 | G | 83.4 | Confident | 89 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | 56.6 | -136.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1498 N1503 G1504 | D1498-G1501 WeakPolarHBondContact O-CA 3.39Å; D1498-G1501 PolarHBondContact O-N 2.99Å; G1501-N1503 PolarHBondContact O-N 2.83Å; G1501-G1504 PolarHBondContact O-N 3.35Å |
| 1502 | L | 83.9 | Confident | 89.1 | Confident | 77 Ų | 77 | 45.7 Ų | 45.7 | 40% | 0.403 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -68.5 | -10.1 | 179.6 | -67.9 | 173.5 | 0 | 0 | 0 | 114.4 | G1504 V1507 L1517 L1519 V1561 | L1502-G1504 VanDerWaalsContact C-N 3.35Å; L1502-V1507 HydrophobicContact CD2-CG2 4.24Å; L1502-V1507 WeakPolarHBondContact O-CG2 3.4Å; L1502-L1517 HydrophobicContact CD2-CB 4.04Å; L1502-L1519 HydrophobicContact CD1-CB 4.26Å; L1502-L1519 HydrophobicContact CD1-CD1 4.43Å; L1502-L1519 HydrophobicContact CG-CD1 3.95Å; L1502-V1561 HydrophobicContact CD2-CG1 4.05Å; L1502-V1561 HydrophobicContact CD2-CG2 4.44Å |
| 1503 | N | 80.9 | Confident | 89 | Confident | 156 Ų | 156 | 50 Ų | 50 | 83% | 0.834 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -94.6 | 1.8 | 173.3 | -62.7 | -34 | 0 | 0 | 0 | 112.2 | L1500 G1501 | L1500-N1503 PolarHBondContact O-N 3.04Å; G1501-N1503 PolarHBondContact O-N 2.83Å |
| 1504 | G | 79.1 | Confident | 88.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -79.1 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D1498 G1501 L1502 F1506 | D1498-G1504 WeakPolarHBondContact OD2-CA 3.39Å; G1501-G1504 PolarHBondContact O-N 3.35Å; L1502-G1504 VanDerWaalsContact C-N 3.35Å; G1504-F1506 VanDerWaalsContact C-N 3.26Å; G1504-F1506 PolarHBondContact O-N 2.96Å |
| 1505 | D | 81.6 | Confident | 88.5 | Confident | 80 Ų | 80 | 52 Ų | 52 | 43% | 0.428 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -73.7 | -19.4 | 179.9 | -170.4 | 41.4 | 0 | 0 | 0 | 112.2 | V1507 K1508 K1509 | D1505-V1507 VanDerWaalsContact C-N 3.33Å; D1505-V1507 PolarHBondContact O-N 3.05Å; D1505-K1508 PolarHBondContact O-N 3.22Å; D1505-K1509 WeakPolarHBondContact OD2-CE 3.39Å; D1505-K1509 IonicContact OD2-NZ 2.85Å; D1505-K1509 PolarHBondContact OD2-NZ 3.29Å |
| 1506 | F | 90 | Very high | 88.3 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -44.5 | 178.3 | 173.7 | -123.6 | 0 | 0 | 0 | 112.8 | T1481 F1485 V1496 D1498 G1504 K1508 K1509 C1510 L1517 V1561 V1563 | T1481-F1506 HydrophobicContact CG2-CD2 3.94Å; T1481-F1506 HydrophobicContact CG2-CE2 3.93Å; T1481-F1506 VanDerWaalsContact OG1-CD2 3.29Å; T1481-F1506 WeakPolarHBondContact OG1-CD2 3.45Å; F1485-F1506 HydrophobicContact CB-CE2 4.37Å; F1485-F1506 AromaticContact CD1-CE2 3.74Å; F1485-F1506 HydrophobicContact CD1-CE2 3.74Å; F1485-F1506 AromaticContact CD1-CZ 3.9Å; F1485-F1506 HydrophobicContact CD1-CZ 3.9Å; F1485-F1506 HydrophobicContact CD2-CE2 4.48Å; F1485-F1506 HydrophobicContact CE1-CE2 4.15Å; F1485-F1506 HydrophobicContact CE1-CZ 4.06Å; F1485-F1506 AromaticContact CG-CE2 3.94Å; F1485-F1506 HydrophobicContact CG-CE2 3.94Å; V1496-F1506 HydrophobicContact CB-CD1 4.29Å; V1496-F1506 HydrophobicContact CB-CE1 3.95Å; V1496-F1506 HydrophobicContact CB-CE2 4.25Å; V1496-F1506 HydrophobicContact CB-CZ 3.93Å; V1496-F1506 HydrophobicContact CG1-CD1 4.24Å; V1496-F1506 HydrophobicContact CG1-CD2 3.97Å; V1496-F1506 HydrophobicContact CG1-CE1 4.3Å; V1496-F1506 HydrophobicContact CG1-CE2 4.03Å; V1496-F1506 HydrophobicContact CG1-CG 4.07Å; V1496-F1506 HydrophobicContact CG1-CZ 4.19Å; V1496-F1506 HydrophobicContact CG2-CE1 4.01Å; V1496-F1506 HydrophobicContact CG2-CE2 3.86Å; V1496-F1506 HydrophobicContact CG2-CZ 3.51Å; D1498-F1506 HydrophobicContact CB-CB 4.36Å; D1498-F1506 VanDerWaalsContact OD2-CB 3.31Å; D1498-F1506 WeakPolarHBondContact OD2-CB 3.21Å; D1498-F1506 PolarHBondContact OD2-N 3.4Å; G1504-F1506 VanDerWaalsContact C-N 3.26Å; G1504-F1506 PolarHBondContact O-N 2.96Å; F1506-K1508 VanDerWaalsContact C-N 3.26Å; F1506-K1508 PolarHBondContact O-N 3.14Å; F1506-K1509 WeakPolarHBondContact O-CB 3.38Å; F1506-K1509 PolarHBondContact O-N 3.36Å; F1506-C1510 WeakPolarHBondContact CE2-SG 3.21Å; F1506-C1510 WeakPolarHBondContact CZ-SG 3.35Å; F1506-C1510 PolarHBondContact O-N 2.77Å; F1506-L1517 HydrophobicContact CE1-CD2 4.23Å; F1506-V1561 HydrophobicContact CD1-CB 4.03Å; F1506-V1561 HydrophobicContact CD1-CG1 4.05Å; F1506-V1561 HydrophobicContact CD1-CG2 4.27Å; F1506-V1561 HydrophobicContact CE1-CB 3.99Å; F1506-V1561 HydrophobicContact CE1-CG1 3.78Å; F1506-V1563 HydrophobicContact CE1-CG2 3.97Å; F1506-V1563 HydrophobicContact CZ-CG2 3.67Å |
| 1507 | V | 88.6 | Confident | 88.2 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.285 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | -176.4 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | L1502 D1505 K1509 C1510 L1517 | L1502-V1507 HydrophobicContact CD2-CG2 4.24Å; L1502-V1507 WeakPolarHBondContact O-CG2 3.4Å; D1505-V1507 VanDerWaalsContact C-N 3.33Å; D1505-V1507 PolarHBondContact O-N 3.05Å; V1507-K1509 PolarHBondContact O-N 3.11Å; V1507-C1510 PolarHBondContact O-N 2.9Å; V1507-L1517 HydrophobicContact CB-CD1 4.32Å; V1507-L1517 HydrophobicContact CG1-CD1 4.03Å; V1507-L1517 HydrophobicContact CG2-CD1 3.99Å |
| 1508 | K | 84.6 | Confident | 88.1 | Confident | 135 Ų | 135 | 56.5 Ų | 56.5 | 59% | 0.587 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -69.2 | -22.1 | 178.7 | -60.9 | -177.4 | -179.3 | -175.1 | 0 | 113.1 | D1505 F1506 | D1505-K1508 PolarHBondContact O-N 3.22Å; F1506-K1508 VanDerWaalsContact C-N 3.26Å; F1506-K1508 PolarHBondContact O-N 3.14Å |
| 1509 | K | 88.6 | Confident | 88 | Confident | 51 Ų | 51 | 59 Ų | 59 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -92.7 | -10.2 | -178.3 | -70.1 | 170.1 | 170.7 | 167.6 | 0 | 113.3 | T1481 G1482 R1483 N1484 F1485 D1505 F1506 V1507 | T1481-K1509 WeakPolarHBondContact O-CD 3.22Å; T1481-K1509 PolarHBondContact O-NZ 3.47Å; G1482-K1509 WeakPolarHBondContact O-CB 3.31Å; R1483-K1509 CarbonylContact C-O 3.46Å; R1483-K1509 HydrophobicContact CG-CG 4.5Å; N1484-K1509 WeakPolarHBondContact CA-O 3.31Å; N1484-K1509 PolarHBondContact N-O 3.36Å; F1485-K1509 PolarHBondContact N-O 2.96Å; D1505-K1509 WeakPolarHBondContact OD2-CE 3.39Å; D1505-K1509 IonicContact OD2-NZ 2.85Å; D1505-K1509 PolarHBondContact OD2-NZ 3.29Å; F1506-K1509 WeakPolarHBondContact O-CB 3.38Å; F1506-K1509 PolarHBondContact O-N 3.36Å; V1507-K1509 PolarHBondContact O-N 3.11Å |
| 1510 | C | 91.2 | Very high | 88.3 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 139.9 | -179.8 | -78.6 | 0 | 0 | 0 | 0 | 112.6 | F1506 V1507 M1512 I1515 L1517 | F1506-C1510 WeakPolarHBondContact CE2-SG 3.21Å; F1506-C1510 WeakPolarHBondContact CZ-SG 3.35Å; F1506-C1510 PolarHBondContact O-N 2.77Å; V1507-C1510 PolarHBondContact O-N 2.9Å; C1510-M1512 HydrophobicContact CB-SD 3.99Å; C1510-M1512 PolarHBondContact O-N 2.93Å; C1510-I1515 HydrophobicContact CB-CD1 4.26Å; C1510-L1517 HydrophobicContact CB-CD1 4.48Å |
| 1511 | N | 91.1 | Very high | 88.5 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.16 | 27% | 0.27 | C | S | . | . | trans | -83.8 | 108.5 | 166.9 | -173.8 | -37.4 | 0 | 0 | 0 | 109.7 | N1484 F1485 A1487 E1513 I1515 | N1484-N1511 PolarHBondContact OD1-ND2 3.46Å; F1485-N1511 PolarHBondContact O-N 3.16Å; A1487-N1511 HydrophobicContact CB-CB 3.91Å; N1511-E1513 VanDerWaalsContact C-N 3.29Å; N1511-E1513 PolarHBondContact O-N 2.83Å; N1511-E1513 VanDerWaalsContact OD1-CB 3.23Å; N1511-E1513 WeakPolarHBondContact OD1-CB 3.48Å; N1511-E1513 PolarHBondContact OD1-N 2.9Å; N1511-E1513 VanDerWaalsContact OD1-N 3.09Å; N1511-I1515 VanDerWaalsContact O-CG1 3.25Å; N1511-I1515 WeakPolarHBondContact O-CG1 3.02Å | ||
| 1512 | M | 91.3 | Very high | 88.5 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 40% | 0.404 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 8.5 | -172.6 | -60.7 | -60.6 | -67.2 | 0 | 0 | 114.7 | C1510 L1514 I1515 L1517 R1566 | C1510-M1512 HydrophobicContact CB-SD 3.99Å; C1510-M1512 PolarHBondContact O-N 2.93Å; M1512-L1514 PolarHBondContact O-N 3.31Å; M1512-I1515 HydrophobicContact SD-CD1 4.29Å; M1512-I1515 HydrophobicContact SD-CG1 4.46Å; M1512-L1517 HydrophobicContact CE-CD1 4.27Å; M1512-L1517 HydrophobicContact CE-CG 4.19Å; M1512-L1517 HydrophobicContact SD-CD1 3.96Å; M1512-L1517 HydrophobicContact SD-CG 4.2Å; M1512-R1566 PolarHBondContact O-NH1 3.02Å |
| 1513 | E | 87.2 | Confident | 88.4 | Confident | 92 Ų | 92 | 61 Ų | 61 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -46.2 | -175.7 | -172 | -175 | 179 | 0 | 0 | 112.1 | N1511 R1566 | N1511-E1513 VanDerWaalsContact C-N 3.29Å; N1511-E1513 PolarHBondContact O-N 2.83Å; N1511-E1513 VanDerWaalsContact OD1-CB 3.23Å; N1511-E1513 WeakPolarHBondContact OD1-CB 3.48Å; N1511-E1513 PolarHBondContact OD1-N 2.9Å; N1511-E1513 VanDerWaalsContact OD1-N 3.09Å; E1513-R1566 PolarHBondContact O-NH1 3.46Å |
| 1514 | L | 88.5 | Confident | 88.7 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -120.6 | -5.2 | -170.5 | -60.7 | -179.4 | 0 | 0 | 0 | 115.2 | M1512 R1566 | M1512-L1514 PolarHBondContact O-N 3.31Å; L1514-R1566 PolarHBondContact O-N 2.99Å |
| 1515 | I | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 158.6 | -171.5 | 58.5 | 154.6 | 0 | 0 | 0 | 112.8 | A1486 M1489 C1510 N1511 M1512 L1517 V1563 P1565 R1566 | A1486-I1515 HydrophobicContact CB-CD1 3.94Å; A1486-I1515 HydrophobicContact CB-CG2 4.21Å; M1489-I1515 HydrophobicContact CB-CG2 4.2Å; M1489-I1515 HydrophobicContact SD-CG2 4.43Å; C1510-I1515 HydrophobicContact CB-CD1 4.26Å; N1511-I1515 VanDerWaalsContact O-CG1 3.25Å; N1511-I1515 WeakPolarHBondContact O-CG1 3.02Å; M1512-I1515 HydrophobicContact SD-CD1 4.29Å; M1512-I1515 HydrophobicContact SD-CG1 4.46Å; I1515-L1517 HydrophobicContact CD1-CD2 3.97Å; I1515-V1563 HydrophobicContact CB-CG1 4.05Å; I1515-V1563 HydrophobicContact CD1-CG1 3.57Å; I1515-V1563 HydrophobicContact CG1-CG1 4.42Å; I1515-V1563 HydrophobicContact CG2-CG1 3.99Å; I1515-P1565 HydrophobicContact CG2-CB 4.48Å; I1515-P1565 HydrophobicContact CG2-CG 4.34Å; I1515-R1566 PolarHBondContact O-NH2 2.89Å; I1515-R1566 VanDerWaalsContact O-NH2 3.07Å |
| 1516 | D | 94.4 | Very high | 89.6 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.7 | 162.4 | -64 | -35.7 | 0 | 0 | 0 | 109.9 | F1564 R1566 R1569 | D1516-F1564 PolarHBondContact N-O 3.38Å; D1516-F1564 PolarHBondContact O-N 3.29Å; D1516-R1566 IonicContact OD1-CZ 2.62Å; D1516-R1566 VanDerWaalsContact OD1-CZ 3.27Å; D1516-R1566 IonicContact OD1-NE 2.86Å; D1516-R1566 PolarHBondContact OD1-NE 3.21Å; D1516-R1566 IonicContact OD1-NH2 2.88Å; D1516-R1566 PolarHBondContact OD1-NH2 2.96Å; D1516-R1566 WeakPolarHBondContact OD2-CG 3.45Å; D1516-R1566 IonicContact OD2-NE 3.72Å; D1516-R1569 IonicContact OD2-CZ 3.87Å; D1516-R1569 IonicContact OD2-NH1 3.21Å; D1516-R1569 PolarHBondContact OD2-NH1 3.26Å; D1516-R1569 IonicContact OD2-NH2 3.13Å |
| 1517 | L | 94.3 | Very high | 89.7 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.6 | 179.3 | -57.4 | 179.3 | 0 | 0 | 0 | 109.7 | L1502 F1506 V1507 C1510 M1512 I1515 V1561 L1562 V1563 | L1502-L1517 HydrophobicContact CD2-CB 4.04Å; F1506-L1517 HydrophobicContact CE1-CD2 4.23Å; V1507-L1517 HydrophobicContact CB-CD1 4.32Å; V1507-L1517 HydrophobicContact CG1-CD1 4.03Å; V1507-L1517 HydrophobicContact CG2-CD1 3.99Å; C1510-L1517 HydrophobicContact CB-CD1 4.48Å; M1512-L1517 HydrophobicContact CE-CD1 4.27Å; M1512-L1517 HydrophobicContact CE-CG 4.19Å; M1512-L1517 HydrophobicContact SD-CD1 3.96Å; M1512-L1517 HydrophobicContact SD-CG 4.2Å; I1515-L1517 HydrophobicContact CD1-CD2 3.97Å; L1517-V1561 HydrophobicContact CB-CG1 4.05Å; L1517-V1561 HydrophobicContact CD2-CG1 4.24Å; L1517-L1562 WeakPolarHBondContact CA-O 3.48Å; L1517-V1563 HydrophobicContact CD2-CB 4.27Å; L1517-V1563 HydrophobicContact CD2-CG1 4.17Å; L1517-V1563 HydrophobicContact CD2-CG2 3.79Å |
| 1518 | E | 92.3 | Very high | 89.9 | Confident | 68 Ų | 68 | 59.3 Ų | 59.3 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.8 | 178 | -67.2 | 176.1 | -163.2 | 0 | 0 | 110.5 | V1561 L1562 R1569 | E1518-V1561 CarbonylContact O-C 3.43Å; E1518-V1561 WeakPolarHBondContact O-CA 3.46Å; E1518-L1562 HydrophobicContact CB-CB 4.3Å; E1518-L1562 PolarHBondContact N-O 3.33Å; E1518-L1562 PolarHBondContact O-N 3.41Å; E1518-R1569 IonicContact OE1-CZ 3.3Å; E1518-R1569 IonicContact OE1-NE 2.77Å; E1518-R1569 IonicContact OE1-NH2 3.22Å; E1518-R1569 PolarHBondContact OE1-NH2 3.23Å |
| 1519 | L | 91.7 | Very high | 90.5 | Very high | 73 Ų | 73 | 55.5 Ų | 55.5 | 38% | 0.382 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.8 | 171.6 | -154.4 | 88.3 | 0 | 0 | 0 | 109.5 | L1502 N1558 | L1502-L1519 HydrophobicContact CD1-CB 4.26Å; L1502-L1519 HydrophobicContact CD1-CD1 4.43Å; L1502-L1519 HydrophobicContact CG-CD1 3.95Å; L1519-N1558 WeakPolarHBondContact CD2-O 3.24Å |
| 1520 | M | 92.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -74.3 | 154.7 | 174.1 | -69.8 | -69.5 | -70.5 | 0 | 0 | 110.8 | F1495 N1524 L1530 I1557 N1558 F1560 L1562 | F1495-M1520 HydrophobicContact CD1-CE 4.19Å; F1495-M1520 HydrophobicContact CD1-SD 4.28Å; F1495-M1520 HydrophobicContact CE1-CE 3.95Å; F1495-M1520 HydrophobicContact CE1-SD 4.15Å; M1520-N1524 HydrophobicContact CE-CB 4.01Å; M1520-N1524 HydrophobicContact SD-CB 4.1Å; M1520-L1530 HydrophobicContact CE-CD2 4.44Å; M1520-I1557 HydrophobicContact CB-CG1 4.3Å; M1520-I1557 WeakPolarHBondContact CB-O 3.44Å; M1520-I1557 HydrophobicContact CE-CD1 4.44Å; M1520-N1558 WeakPolarHBondContact O-CA 3.29Å; M1520-F1560 HydrophobicContact CB-CB 3.84Å; M1520-F1560 WeakPolarHBondContact CB-O 3.45Å; M1520-F1560 HydrophobicContact CG-CB 3.8Å; M1520-F1560 PolarHBondContact N-O 2.55Å; M1520-L1562 HydrophobicContact CG-CB 4.09Å; M1520-L1562 HydrophobicContact SD-CB 3.82Å; M1520-L1562 HydrophobicContact SD-CD2 4.04Å; M1520-L1562 HydrophobicContact SD-CG 4.44Å | ||
| 1521 | N | 89.5 | Confident | 91 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | trans | -152.6 | 175.7 | 170.9 | 62.3 | 49.8 | 0 | 0 | 0 | 109.4 | Q1523 N1524 | N1521-Q1523 PolarHBondContact O-N 2.85Å; N1521-Q1523 WeakPolarHBondContact OD1-CA 3.42Å; N1521-Q1523 WeakPolarHBondContact OD1-CB 3.15Å; N1521-Q1523 PolarHBondContact OD1-N 2.87Å; N1521-N1524 WeakPolarHBondContact O-CB 3.36Å; N1521-N1524 PolarHBondContact O-N 2.86Å; N1521-N1524 PolarHBondContact OD1-N 2.69Å | ||
| 1522 | S | 83.7 | Confident | 91.3 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 55% | 0.545 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.6 | -179.3 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | S1527 | S1522-S1527 PolarHBondContact O-OG 3.45Š|
| 1523 | Q | 82.5 | Confident | 91.5 | Very high | 179 Ų | 179 | 58.4 Ų | 58.4 | 84% | 0.836 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.6 | 178.6 | -60.9 | -170 | -6.2 | 0 | 0 | 113.8 | N1521 T1525 | N1521-Q1523 PolarHBondContact O-N 2.85Å; N1521-Q1523 WeakPolarHBondContact OD1-CA 3.42Å; N1521-Q1523 WeakPolarHBondContact OD1-CB 3.15Å; N1521-Q1523 PolarHBondContact OD1-N 2.87Å; Q1523-T1525 PolarHBondContact O-N 2.83Å |
| 1524 | N | 87.2 | Confident | 92 | Very high | 23 Ų | 23 | 54 Ų | 54 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -60.8 | 138 | 177.8 | -175.2 | -67.7 | 0 | 0 | 0 | 110.5 | M1520 N1521 Y1526 S1527 | M1520-N1524 HydrophobicContact CE-CB 4.01Å; M1520-N1524 HydrophobicContact SD-CB 4.1Å; N1521-N1524 WeakPolarHBondContact O-CB 3.36Å; N1521-N1524 PolarHBondContact O-N 2.86Å; N1521-N1524 PolarHBondContact OD1-N 2.69Å; N1524-Y1526 PolarHBondContact O-N 3Å; N1524-Y1526 VanDerWaalsContact OD1-CD2 3.27Å; N1524-Y1526 WeakPolarHBondContact OD1-CD2 3.44Å; N1524-Y1526 PolarHBondContact OD1-N 2.96Å; N1524-S1527 WeakPolarHBondContact O-CB 3.41Å; N1524-S1527 PolarHBondContact O-N 3.3Å; N1524-S1527 VanDerWaalsContact O-N 3.11Å; N1524-S1527 PolarHBondContact O-OG 3.44Å |
| 1525 | T | 88.6 | Confident | 92.4 | Very high | 123 Ų | 123 | 55.4 Ų | 55.4 | 76% | 0.755 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.7 | -176.1 | 48.1 | 0 | 0 | 0 | 0 | 114.9 | Q1523 | Q1523-T1525 PolarHBondContact O-N 2.83Š|
| 1526 | Y | 91.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 22% | 0.216 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -2.8 | -178 | -53.6 | -70.7 | 0 | 0 | 0 | 113.8 | L1493 F1495 N1524 G1528 W1529 L1530 L1562 F1564 | L1493-Y1526 HydrophobicContact CD1-CD1 4.13Å; L1493-Y1526 HydrophobicContact CD1-CD2 4.5Å; L1493-Y1526 HydrophobicContact CD1-CE1 3.75Å; L1493-Y1526 HydrophobicContact CD1-CE2 4.17Å; L1493-Y1526 HydrophobicContact CD1-CG 4.49Å; F1495-Y1526 HydrophobicContact CE1-CG 4.42Å; F1495-Y1526 HydrophobicContact CZ-CG 4.23Å; N1524-Y1526 PolarHBondContact O-N 3Å; N1524-Y1526 VanDerWaalsContact OD1-CD2 3.27Å; N1524-Y1526 WeakPolarHBondContact OD1-CD2 3.44Å; N1524-Y1526 PolarHBondContact OD1-N 2.96Å; Y1526-G1528 PolarHBondContact O-N 2.95Å; Y1526-W1529 PolarHBondContact O-N 3.35Å; Y1526-L1530 PolarHBondContact O-N 3.21Å; Y1526-L1562 HydrophobicContact CD2-CD2 4.06Å; Y1526-L1562 HydrophobicContact CE2-CD2 4.26Å; Y1526-F1564 HydrophobicContact CE2-CE2 4.12Å |
| 1527 | S | 91.5 | Very high | 92.7 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | -174 | 66.8 | 0 | 0 | 0 | 0 | 113 | S1522 N1524 L1530 K1531 W1553 | S1522-S1527 PolarHBondContact O-OG 3.45Å; N1524-S1527 WeakPolarHBondContact O-CB 3.41Å; N1524-S1527 PolarHBondContact O-N 3.3Å; N1524-S1527 VanDerWaalsContact O-N 3.11Å; N1524-S1527 PolarHBondContact O-OG 3.44Å; S1527-L1530 PolarHBondContact O-N 2.91Å; S1527-K1531 PolarHBondContact O-N 3.13Å; S1527-K1531 VanDerWaalsContact O-N 3.08Å; S1527-W1553 WeakPolarHBondContact O-CZ2 3.39Å |
| 1528 | G | 93 | Very high | 92.9 | Very high | 40 Ų | 40 | 55.1 Ų | 55.1 | 41% | 0.412 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1526 L1530 K1531 E1532 | Y1526-G1528 PolarHBondContact O-N 2.95Å; G1528-L1530 PolarHBondContact O-N 2.81Å; G1528-K1531 WeakPolarHBondContact O-CB 3.41Å; G1528-K1531 PolarHBondContact O-N 3.3Å; G1528-E1532 PolarHBondContact O-N 3.25Å; G1528-E1532 VanDerWaalsContact O-N 3.08Å |
| 1529 | W | 95.8 | Very high | 93.1 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 21% | 0.205 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 177.4 | 175.7 | 79.8 | 0 | 0 | 0 | 112.2 | T1456 R1474 V1476 F1495 Y1526 K1531 E1532 I1533 | T1456-W1529 HydrophobicContact CG2-CH2 4.21Å; T1456-W1529 HydrophobicContact CG2-CZ2 3.77Å; R1474-W1529 HydrophobicContact CB-CH2 3.48Å; R1474-W1529 VanDerWaalsContact CB-CH2 3.48Å; R1474-W1529 HydrophobicContact CB-CZ2 3.99Å; R1474-W1529 HydrophobicContact CB-CZ3 4.22Å; R1474-W1529 HydrophobicContact CG-CH2 4.02Å; R1474-W1529 HydrophobicContact CG-CZ2 4.26Å; R1474-W1529 VanDerWaalsContact NH1-CD2 3.31Å; V1476-W1529 HydrophobicContact CG2-CH2 4.13Å; V1476-W1529 HydrophobicContact CG2-CZ3 4.18Å; F1495-W1529 HydrophobicContact CD2-CZ3 4.01Å; F1495-W1529 HydrophobicContact CE2-CE3 4.19Å; F1495-W1529 HydrophobicContact CE2-CH2 4.42Å; F1495-W1529 AromaticContact CE2-CZ3 3.54Å; F1495-W1529 HydrophobicContact CE2-CZ3 3.54Å; F1495-W1529 HydrophobicContact CZ-CE3 4.27Å; F1495-W1529 HydrophobicContact CZ-CZ3 4.07Å; Y1526-W1529 PolarHBondContact O-N 3.35Å; W1529-K1531 VanDerWaalsContact C-N 3.29Å; W1529-K1531 PolarHBondContact O-N 3.29Å; W1529-E1532 PolarHBondContact O-N 3.1Å; W1529-I1533 HydrophobicContact CE3-CG2 4.49Å; W1529-I1533 HydrophobicContact CH2-CB 4.48Å; W1529-I1533 HydrophobicContact CH2-CG2 3.99Å; W1529-I1533 HydrophobicContact CZ2-CB 4.2Å; W1529-I1533 HydrophobicContact CZ2-CG1 4.26Å; W1529-I1533 HydrophobicContact CZ2-CG2 4.19Å; W1529-I1533 HydrophobicContact CZ3-CG2 4.14Å; W1529-I1533 PolarHBondContact O-N 3.11Å |
| 1530 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.4 | -174.6 | 63.8 | 0 | 0 | 0 | 111.4 | V1476 F1495 M1520 Y1526 S1527 G1528 I1533 L1534 W1553 I1557 F1560 | V1476-L1530 HydrophobicContact CB-CD1 4.39Å; V1476-L1530 HydrophobicContact CG1-CD1 3.78Å; V1476-L1530 HydrophobicContact CG2-CD1 3.64Å; F1495-L1530 HydrophobicContact CB-CD1 4.03Å; F1495-L1530 HydrophobicContact CB-CD2 4.48Å; F1495-L1530 HydrophobicContact CD1-CD1 4.28Å; F1495-L1530 HydrophobicContact CD1-CD2 4.06Å; F1495-L1530 HydrophobicContact CD2-CD1 4.42Å; F1495-L1530 HydrophobicContact CG-CD1 4Å; F1495-L1530 HydrophobicContact CG-CD2 4.48Å; M1520-L1530 HydrophobicContact CE-CD2 4.44Å; Y1526-L1530 PolarHBondContact O-N 3.21Å; S1527-L1530 PolarHBondContact O-N 2.91Å; G1528-L1530 PolarHBondContact O-N 2.81Å; L1530-I1533 HydrophobicContact CD1-CG2 4.38Å; L1530-I1533 WeakPolarHBondContact O-CG2 3.21Å; L1530-L1534 HydrophobicContact CD1-CD1 4.43Å; L1530-L1534 HydrophobicContact CG-CD1 4.2Å; L1530-L1534 WeakPolarHBondContact O-CB 3.47Å; L1530-L1534 WeakPolarHBondContact O-CD1 3.45Å; L1530-L1534 VanDerWaalsContact O-CG 3.25Å; L1530-L1534 WeakPolarHBondContact O-CG 3.44Å; L1530-L1534 PolarHBondContact O-N 3.09Å; L1530-W1553 HydrophobicContact CB-CH2 4.15Å; L1530-W1553 HydrophobicContact CD2-CH2 4.03Å; L1530-W1553 HydrophobicContact CG-CH2 3.9Å; L1530-I1557 HydrophobicContact CD2-CD1 4.26Å; L1530-F1560 HydrophobicContact CD2-CB 4.48Å; L1530-F1560 HydrophobicContact CD2-CD1 4.06Å; L1530-F1560 HydrophobicContact CD2-CD2 4.07Å; L1530-F1560 HydrophobicContact CD2-CE1 4.26Å; L1530-F1560 HydrophobicContact CD2-CE2 4.26Å; L1530-F1560 HydrophobicContact CD2-CG 3.95Å; L1530-F1560 HydrophobicContact CD2-CZ 4.36Å |
| 1531 | K | 95.6 | Very high | 93.4 | Very high | 93 Ų | 93 | 59 Ų | 59 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.1 | -165.5 | 176.8 | -178.5 | 175.4 | 0 | 111.7 | S1527 G1528 W1529 L1534 V1535 L1550 W1553 | S1527-K1531 PolarHBondContact O-N 3.13Å; S1527-K1531 VanDerWaalsContact O-N 3.08Å; G1528-K1531 WeakPolarHBondContact O-CB 3.41Å; G1528-K1531 PolarHBondContact O-N 3.3Å; W1529-K1531 VanDerWaalsContact C-N 3.29Å; W1529-K1531 PolarHBondContact O-N 3.29Å; K1531-L1534 PolarHBondContact O-N 3.37Å; K1531-V1535 WeakPolarHBondContact O-CG2 3.23Å; K1531-V1535 PolarHBondContact O-N 3.26Å; K1531-L1550 HydrophobicContact CG-CD2 4.13Å; K1531-W1553 HydrophobicContact CB-CD2 4.44Å; K1531-W1553 HydrophobicContact CB-CH2 3.96Å; K1531-W1553 HydrophobicContact CB-CZ2 3.52Å; K1531-W1553 HydrophobicContact CD-CD2 4.21Å; K1531-W1553 HydrophobicContact CD-CG 4.19Å; K1531-W1553 HydrophobicContact CG-CD2 4.1Å; K1531-W1553 HydrophobicContact CG-CE3 4.48Å; K1531-W1553 HydrophobicContact CG-CH2 4.49Å; K1531-W1553 HydrophobicContact CG-CZ2 4.09Å |
| 1532 | E | 96.5 | Very high | 93.6 | Very high | 137 Ų | 137 | 60.5 Ų | 60.5 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.5 | -46.9 | -179.3 | -74.2 | 174.4 | -179.4 | 0 | 0 | 112.3 | G1528 W1529 L1534 V1535 E1536 | G1528-E1532 PolarHBondContact O-N 3.25Å; G1528-E1532 VanDerWaalsContact O-N 3.08Å; W1529-E1532 PolarHBondContact O-N 3.1Å; E1532-L1534 VanDerWaalsContact C-N 3.27Å; E1532-L1534 PolarHBondContact O-N 2.6Å; E1532-V1535 PolarHBondContact O-N 2.86Å; E1532-E1536 PolarHBondContact O-N 2.91Å |
| 1533 | I | 97.2 | Very high | 94.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -31 | -179.5 | -162.2 | 64.8 | 0 | 0 | 0 | 111.9 | F1439 T1456 V1458 V1476 W1529 L1530 E1536 F1537 | F1439-I1533 HydrophobicContact CE1-CD1 4.13Å; F1439-I1533 HydrophobicContact CE1-CG1 4.42Å; F1439-I1533 HydrophobicContact CZ-CD1 4.06Å; T1456-I1533 HydrophobicContact CG2-CD1 3.92Å; T1456-I1533 HydrophobicContact CG2-CG1 4.03Å; V1458-I1533 HydrophobicContact CG2-CG1 3.93Å; V1476-I1533 HydrophobicContact CG2-CG2 4.23Å; W1529-I1533 HydrophobicContact CE3-CG2 4.49Å; W1529-I1533 HydrophobicContact CH2-CB 4.48Å; W1529-I1533 HydrophobicContact CH2-CG2 3.99Å; W1529-I1533 HydrophobicContact CZ2-CB 4.2Å; W1529-I1533 HydrophobicContact CZ2-CG1 4.26Å; W1529-I1533 HydrophobicContact CZ2-CG2 4.19Å; W1529-I1533 HydrophobicContact CZ3-CG2 4.14Å; W1529-I1533 PolarHBondContact O-N 3.11Å; L1530-I1533 HydrophobicContact CD1-CG2 4.38Å; L1530-I1533 WeakPolarHBondContact O-CG2 3.21Å; I1533-E1536 PolarHBondContact O-N 2.84Å; I1533-F1537 WeakPolarHBondContact O-CB 3.08Å; I1533-F1537 PolarHBondContact O-N 3.27Å |
| 1534 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.7 | -37.3 | 174.5 | -72.9 | 170.2 | 0 | 0 | 0 | 112.9 | V1458 V1476 L1478 L1530 K1531 E1532 E1536 F1537 V1538 I1549 L1550 W1553 F1560 | V1458-L1534 HydrophobicContact CG1-CD2 4.09Å; V1476-L1534 HydrophobicContact CG1-CD2 4.22Å; L1478-L1534 HydrophobicContact CD1-CD2 3.81Å; L1478-L1534 HydrophobicContact CD2-CD2 3.59Å; L1478-L1534 HydrophobicContact CG-CD2 4.26Å; L1530-L1534 HydrophobicContact CD1-CD1 4.43Å; L1530-L1534 HydrophobicContact CG-CD1 4.2Å; L1530-L1534 WeakPolarHBondContact O-CB 3.47Å; L1530-L1534 WeakPolarHBondContact O-CD1 3.45Å; L1530-L1534 VanDerWaalsContact O-CG 3.25Å; L1530-L1534 WeakPolarHBondContact O-CG 3.44Å; L1530-L1534 PolarHBondContact O-N 3.09Å; K1531-L1534 PolarHBondContact O-N 3.37Å; E1532-L1534 VanDerWaalsContact C-N 3.27Å; E1532-L1534 PolarHBondContact O-N 2.6Å; L1534-E1536 VanDerWaalsContact C-N 3.29Å; L1534-E1536 PolarHBondContact O-N 2.84Å; L1534-F1537 PolarHBondContact O-N 3.05Å; L1534-V1538 WeakPolarHBondContact O-CG2 3.41Å; L1534-V1538 PolarHBondContact O-N 3.14Å; L1534-I1549 HydrophobicContact CD1-CG2 4.28Å; L1534-L1550 HydrophobicContact CB-CD1 4.48Å; L1534-L1550 HydrophobicContact CB-CD2 4.04Å; L1534-L1550 HydrophobicContact CB-CG 4.38Å; L1534-W1553 HydrophobicContact CD1-CH2 4.08Å; L1534-W1553 HydrophobicContact CD1-CZ3 3.6Å; L1534-F1560 HydrophobicContact CD1-CZ 4.14Å |
| 1535 | V | 97.6 | Very high | 94.9 | Very high | 77 Ų | 77 | 52.8 Ų | 52.8 | 47% | 0.467 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 172.3 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | K1531 E1532 K1539 L1550 | K1531-V1535 WeakPolarHBondContact O-CG2 3.23Å; K1531-V1535 PolarHBondContact O-N 3.26Å; E1532-V1535 PolarHBondContact O-N 2.86Å; V1535-K1539 WeakPolarHBondContact O-CB 3.32Å; V1535-K1539 PolarHBondContact O-N 3.02Å; V1535-L1550 HydrophobicContact CG2-CD1 3.93Å; V1535-L1550 HydrophobicContact CG2-CD2 4.04Å |
| 1536 | E | 97.1 | Very high | 95.2 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 174.6 | -170.7 | -178.5 | 162.7 | 0 | 0 | 111.8 | K1403 R1437 F1439 E1532 I1533 L1534 V1538 K1539 E1540 | K1403-E1536 IonicContact NZ-OE1 3.62Å; K1403-E1536 PolarHBondContact NZ-OE1 3.35Å; R1437-E1536 IonicContact CZ-OE1 2.6Å; R1437-E1536 IonicContact CZ-OE2 3.17Å; R1437-E1536 IonicContact NH1-OE1 3.82Å; R1437-E1536 PolarHBondContact NH1-OE1 3.08Å; R1437-E1536 IonicContact NH1-OE2 2.97Å; R1437-E1536 PolarHBondContact NH1-OE2 2.95Å; F1439-E1536 HydrophobicContact CE2-CG 3.83Å; F1439-E1536 WeakPolarHBondContact CE2-OE1 3.38Å; F1439-E1536 HydrophobicContact CZ-CB 4.41Å; F1439-E1536 HydrophobicContact CZ-CG 3.93Å; E1532-E1536 PolarHBondContact O-N 2.91Å; I1533-E1536 PolarHBondContact O-N 2.84Å; L1534-E1536 VanDerWaalsContact C-N 3.29Å; L1534-E1536 PolarHBondContact O-N 2.84Å; E1536-V1538 VanDerWaalsContact C-N 3.34Å; E1536-V1538 PolarHBondContact O-N 3.44Å; E1536-K1539 PolarHBondContact O-N 2.83Å; E1536-E1540 HydrophobicContact CG-CG 4.35Å; E1536-E1540 VanDerWaalsContact O-CG 3.3Å; E1536-E1540 WeakPolarHBondContact O-CG 3.25Å; E1536-E1540 PolarHBondContact O-N 2.91Å |
| 1537 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.6 | -47 | 177.4 | 173.1 | -109.3 | 0 | 0 | 0 | 111.9 | F1439 V1458 E1460 L1478 I1533 L1534 K1539 E1540 T1541 S1543 | F1439-F1537 HydrophobicContact CB-CD2 3.84Å; F1439-F1537 HydrophobicContact CB-CE2 4.22Å; F1439-F1537 HydrophobicContact CD1-CB 4.44Å; F1439-F1537 AromaticContact CD1-CD2 3.96Å; F1439-F1537 HydrophobicContact CD1-CD2 3.96Å; F1439-F1537 HydrophobicContact CG-CD2 4.02Å; V1458-F1537 HydrophobicContact CB-CB 4.15Å; V1458-F1537 HydrophobicContact CB-CD2 3.64Å; V1458-F1537 HydrophobicContact CB-CE2 4.16Å; V1458-F1537 HydrophobicContact CB-CG 3.89Å; V1458-F1537 HydrophobicContact CG1-CB 3.97Å; V1458-F1537 HydrophobicContact CG1-CD1 3.74Å; V1458-F1537 HydrophobicContact CG1-CD2 3.62Å; V1458-F1537 HydrophobicContact CG1-CE1 4.07Å; V1458-F1537 HydrophobicContact CG1-CE2 3.97Å; V1458-F1537 HydrophobicContact CG1-CG 3.49Å; V1458-F1537 VanDerWaalsContact CG1-CG 3.49Å; V1458-F1537 HydrophobicContact CG1-CZ 4.18Å; V1458-F1537 HydrophobicContact CG2-CB 4.2Å; V1458-F1537 HydrophobicContact CG2-CG 4.49Å; E1460-F1537 HydrophobicContact CG-CZ 4.23Å; L1478-F1537 HydrophobicContact CD1-CD1 3.93Å; L1478-F1537 HydrophobicContact CD1-CE1 3.59Å; L1478-F1537 HydrophobicContact CD1-CZ 4.39Å; I1533-F1537 WeakPolarHBondContact O-CB 3.08Å; I1533-F1537 PolarHBondContact O-N 3.27Å; L1534-F1537 PolarHBondContact O-N 3.05Å; F1537-K1539 PolarHBondContact O-N 3.35Å; F1537-E1540 PolarHBondContact O-N 3.37Å; F1537-T1541 HydrophobicContact CD2-CG2 3.8Å; F1537-T1541 HydrophobicContact CE2-CG2 3.6Å; F1537-T1541 HydrophobicContact CZ-CG2 4.26Å; F1537-T1541 WeakPolarHBondContact O-CB 3.28Å; F1537-T1541 WeakPolarHBondContact O-CG2 3.42Å; F1537-T1541 PolarHBondContact O-N 3.16Å; F1537-T1541 PolarHBondContact O-OG1 3.18Å; F1537-S1543 WeakPolarHBondContact CE1-OG 3.45Å |
| 1538 | V | 97.2 | Very high | 95.5 | Very high | 24 Ų | 24 | 51 Ų | 51 | 15% | 0.145 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | 167.6 | 0 | 0 | 0 | 0 | 111.1 | L1534 E1536 E1540 T1541 D1542 G1546 I1547 L1550 | L1534-V1538 WeakPolarHBondContact O-CG2 3.41Å; L1534-V1538 PolarHBondContact O-N 3.14Å; E1536-V1538 VanDerWaalsContact C-N 3.34Å; E1536-V1538 PolarHBondContact O-N 3.44Å; V1538-E1540 VanDerWaalsContact C-N 3.26Å; V1538-E1540 PolarHBondContact O-N 3.41Å; V1538-T1541 PolarHBondContact O-N 3.41Å; V1538-D1542 WeakPolarHBondContact O-CA 3.3Å; V1538-D1542 PolarHBondContact O-N 3.11Å; V1538-G1546 VanDerWaalsContact CG2-C 3.44Å; V1538-I1547 HydrophobicContact CG1-CD1 4.26Å; V1538-I1547 HydrophobicContact CG1-CG1 3.55Å; V1538-I1547 HydrophobicContact CG2-CG1 4.28Å; V1538-L1550 HydrophobicContact CB-CD1 4.27Å; V1538-L1550 HydrophobicContact CG2-CD1 3.8Å |
| 1539 | K | 96.5 | Very high | 95.5 | Very high | 167 Ų | 167 | 49.1 Ų | 49.1 | 73% | 0.726 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -34.4 | 177.6 | -178.4 | -178.7 | 175.7 | -176.8 | 0 | 113 | V1535 E1536 F1537 | V1535-K1539 WeakPolarHBondContact O-CB 3.32Å; V1535-K1539 PolarHBondContact O-N 3.02Å; E1536-K1539 PolarHBondContact O-N 2.83Å; F1537-K1539 PolarHBondContact O-N 3.35Å |
| 1540 | E | 94.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 48.5 Ų | 48.5 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86.3 | -24.9 | -177 | -67.7 | -74.5 | 165 | 0 | 0 | 113.3 | K1403 T1405 F1439 E1536 F1537 V1538 | K1403-E1540 IonicContact NZ-OE1 3.64Å; K1403-E1540 PolarHBondContact NZ-OE1 2.86Å; K1403-E1540 IonicContact NZ-OE2 2.68Å; T1405-E1540 HydrophobicContact CG2-CB 4.3Å; F1439-E1540 HydrophobicContact CD2-CB 3.9Å; F1439-E1540 HydrophobicContact CD2-CG 3.9Å; F1439-E1540 HydrophobicContact CE2-CB 4.41Å; F1439-E1540 HydrophobicContact CE2-CG 3.95Å; E1536-E1540 HydrophobicContact CG-CG 4.35Å; E1536-E1540 VanDerWaalsContact O-CG 3.3Å; E1536-E1540 WeakPolarHBondContact O-CG 3.25Å; E1536-E1540 PolarHBondContact O-N 2.91Å; F1537-E1540 PolarHBondContact O-N 3.37Å; V1538-E1540 VanDerWaalsContact C-N 3.26Å; V1538-E1540 PolarHBondContact O-N 3.41Å |
| 1541 | T | 95.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -121.1 | -16.2 | -168.5 | 65.1 | 0 | 0 | 0 | 0 | 115.4 | T1405 V1407 F1439 R1441 F1537 V1538 S1543 | T1405-T1541 HydrophobicContact CG2-CG2 4.01Å; V1407-T1541 HydrophobicContact CG1-CG2 4.05Å; F1439-T1541 HydrophobicContact CB-CG2 4.07Å; R1441-T1541 HydrophobicContact CB-CG2 4.41Å; R1441-T1541 WeakPolarHBondContact CD-O 3.43Å; R1441-T1541 PolarHBondContact NH1-O 2.77Å; F1537-T1541 HydrophobicContact CD2-CG2 3.8Å; F1537-T1541 HydrophobicContact CE2-CG2 3.6Å; F1537-T1541 HydrophobicContact CZ-CG2 4.26Å; F1537-T1541 WeakPolarHBondContact O-CB 3.28Å; F1537-T1541 WeakPolarHBondContact O-CG2 3.42Å; F1537-T1541 PolarHBondContact O-N 3.16Å; F1537-T1541 PolarHBondContact O-OG1 3.18Å; V1538-T1541 PolarHBondContact O-N 3.41Å; T1541-S1543 PolarHBondContact O-N 2.88Å; T1541-S1543 WeakPolarHBondContact OG1-CB 3.37Å; T1541-S1543 PolarHBondContact OG1-N 2.96Å |
| 1542 | D | 93.9 | Very high | 95.1 | Very high | 97 Ų | 97 | 52 Ų | 52 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | trans | 52.5 | 32.1 | -168.5 | -58.1 | -51 | 0 | 0 | 0 | 112.5 | R1441 V1538 Q1544 | R1441-D1542 VanDerWaalsContact CZ-O 3.23Å; R1441-D1542 VanDerWaalsContact NH1-C 3.34Å; R1441-D1542 PolarHBondContact NH1-O 3.33Å; R1441-D1542 PolarHBondContact NH2-O 2.67Å; V1538-D1542 WeakPolarHBondContact O-CA 3.3Å; V1538-D1542 PolarHBondContact O-N 3.11Å; D1542-Q1544 PolarHBondContact O-N 3.37Å | ||
| 1543 | S | 94.7 | Very high | 95 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -61.7 | 121.7 | -177.9 | 168.2 | 0 | 0 | 0 | 0 | 112.2 | E1460 F1537 T1541 V1545 G1546 I1547 | E1460-S1543 VanDerWaalsContact OE1-CB 3.32Å; E1460-S1543 WeakPolarHBondContact OE1-CB 3.42Å; E1460-S1543 PolarHBondContact OE1-OG 2.64Å; F1537-S1543 WeakPolarHBondContact CE1-OG 3.45Å; T1541-S1543 PolarHBondContact O-N 2.88Å; T1541-S1543 WeakPolarHBondContact OG1-CB 3.37Å; T1541-S1543 PolarHBondContact OG1-N 2.96Å; S1543-V1545 VanDerWaalsContact C-N 3.34Å; S1543-V1545 PolarHBondContact O-N 3.28Å; S1543-V1545 PolarHBondContact OG-N 3.5Å; S1543-G1546 PolarHBondContact O-N 2.84Å; S1543-G1546 PolarHBondContact OG-N 3.29Å; S1543-G1546 VanDerWaalsContact OG-N 3.16Å; S1543-I1547 WeakPolarHBondContact O-CD1 3.49Å; S1543-I1547 VanDerWaalsContact O-CG1 3.26Å; S1543-I1547 WeakPolarHBondContact O-CG1 3.47Å; S1543-I1547 PolarHBondContact O-N 3.11Å | ||
| 1544 | Q | 92.8 | Very high | 94.5 | Very high | 98 Ų | 98 | 52 Ų | 52 | 46% | 0.458 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 177.2 | -169.7 | 61.3 | 55.9 | 0 | 0 | 112.1 | D1542 I1547 N1548 | D1542-Q1544 PolarHBondContact O-N 3.37Å; Q1544-I1547 PolarHBondContact O-N 3.5Å; Q1544-N1548 PolarHBondContact NE2-OD1 3.49Å; Q1544-N1548 WeakPolarHBondContact O-CB 3.45Å; Q1544-N1548 PolarHBondContact O-N 3.25Å; Q1544-N1548 PolarHBondContact O-ND2 3.17Å; Q1544-N1548 PolarHBondContact O-OD1 2.73Å |
| 1545 | V | 93.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | E1420 L1478 S1543 I1547 N1548 I1549 | E1420-V1545 HydrophobicContact CB-CG2 3.83Å; E1420-V1545 HydrophobicContact CG-CG2 4.17Å; L1478-V1545 HydrophobicContact CB-CG1 4.04Å; S1543-V1545 VanDerWaalsContact C-N 3.34Å; S1543-V1545 PolarHBondContact O-N 3.28Å; S1543-V1545 PolarHBondContact OG-N 3.5Å; V1545-I1547 PolarHBondContact O-N 3.4Å; V1545-N1548 PolarHBondContact O-N 3.19Å; V1545-I1549 HydrophobicContact CG1-CD1 3.93Å; V1545-I1549 WeakPolarHBondContact O-CG1 3.33Å; V1545-I1549 PolarHBondContact O-N 2.85Å |
| 1546 | G | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1538 S1543 N1548 I1549 L1550 | V1538-G1546 VanDerWaalsContact CG2-C 3.44Å; S1543-G1546 PolarHBondContact O-N 2.84Å; S1543-G1546 PolarHBondContact OG-N 3.29Å; S1543-G1546 VanDerWaalsContact OG-N 3.16Å; G1546-N1548 PolarHBondContact O-N 3.33Å; G1546-I1549 PolarHBondContact O-N 3.32Å; G1546-L1550 WeakPolarHBondContact O-CB 3.3Å; G1546-L1550 WeakPolarHBondContact O-CG 3.46Å; G1546-L1550 PolarHBondContact O-N 3.34Å |
| 1547 | I | 95.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 34% | 0.338 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 175.3 | -70.6 | 163.8 | 0 | 0 | 0 | 110.6 | V1538 S1543 Q1544 V1545 I1549 L1550 A1551 | V1538-I1547 HydrophobicContact CG1-CD1 4.26Å; V1538-I1547 HydrophobicContact CG1-CG1 3.55Å; V1538-I1547 HydrophobicContact CG2-CG1 4.28Å; S1543-I1547 WeakPolarHBondContact O-CD1 3.49Å; S1543-I1547 VanDerWaalsContact O-CG1 3.26Å; S1543-I1547 WeakPolarHBondContact O-CG1 3.47Å; S1543-I1547 PolarHBondContact O-N 3.11Å; Q1544-I1547 PolarHBondContact O-N 3.5Å; V1545-I1547 PolarHBondContact O-N 3.4Å; I1547-I1549 PolarHBondContact O-N 3.31Å; I1547-L1550 PolarHBondContact O-N 2.87Å; I1547-A1551 WeakPolarHBondContact O-CB 3.35Å; I1547-A1551 PolarHBondContact O-N 3.3Å |
| 1548 | N | 94.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -179.4 | -66.3 | -12.1 | 0 | 0 | 0 | 111.9 | Q1544 V1545 G1546 A1551 | Q1544-N1548 PolarHBondContact NE2-OD1 3.49Å; Q1544-N1548 WeakPolarHBondContact O-CB 3.45Å; Q1544-N1548 PolarHBondContact O-N 3.25Å; Q1544-N1548 PolarHBondContact O-ND2 3.17Å; Q1544-N1548 PolarHBondContact O-OD1 2.73Å; V1545-N1548 PolarHBondContact O-N 3.19Å; G1546-N1548 PolarHBondContact O-N 3.33Å; N1548-A1551 PolarHBondContact O-N 2.82Å |
| 1549 | I | 94.1 | Very high | 93.2 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.1 | -70.5 | 170.6 | 0 | 0 | 0 | 111.2 | L1478 Y1497 L1534 V1545 G1546 I1547 D1552 W1553 F1560 | L1478-I1549 HydrophobicContact CB-CD1 4.34Å; L1478-I1549 HydrophobicContact CD2-CD1 3.96Å; Y1497-I1549 HydrophobicContact CD1-CD1 4.07Å; Y1497-I1549 HydrophobicContact CD2-CD1 4.03Å; Y1497-I1549 HydrophobicContact CD2-CG1 4.43Å; Y1497-I1549 HydrophobicContact CE1-CD1 4.2Å; Y1497-I1549 HydrophobicContact CE1-CG1 4.34Å; Y1497-I1549 HydrophobicContact CE2-CD1 4.14Å; Y1497-I1549 HydrophobicContact CE2-CG1 4.05Å; Y1497-I1549 HydrophobicContact CG-CD1 3.98Å; L1534-I1549 HydrophobicContact CD1-CG2 4.28Å; V1545-I1549 HydrophobicContact CG1-CD1 3.93Å; V1545-I1549 WeakPolarHBondContact O-CG1 3.33Å; V1545-I1549 PolarHBondContact O-N 2.85Å; G1546-I1549 PolarHBondContact O-N 3.32Å; I1547-I1549 PolarHBondContact O-N 3.31Å; I1549-D1552 CarbonylContact O-C 3.32Å; I1549-W1553 HydrophobicContact CG2-CE3 4.26Å; I1549-W1553 HydrophobicContact CG2-CZ3 4.19Å; I1549-W1553 WeakPolarHBondContact O-CA 3.29Å; I1549-W1553 PolarHBondContact O-N 2.76Å; I1549-F1560 HydrophobicContact CD1-CZ 4.45Å; I1549-F1560 HydrophobicContact CG2-CE2 3.99Å; I1549-F1560 HydrophobicContact CG2-CZ 4.34Å |
| 1550 | L | 94.5 | Very high | 93.1 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.4 | -31.5 | 179.3 | -72.8 | 174.6 | 0 | 0 | 0 | 112.9 | K1531 L1534 V1535 V1538 G1546 I1547 D1552 W1553 | K1531-L1550 HydrophobicContact CG-CD2 4.13Å; L1534-L1550 HydrophobicContact CB-CD1 4.48Å; L1534-L1550 HydrophobicContact CB-CD2 4.04Å; L1534-L1550 HydrophobicContact CB-CG 4.38Å; V1535-L1550 HydrophobicContact CG2-CD1 3.93Å; V1535-L1550 HydrophobicContact CG2-CD2 4.04Å; V1538-L1550 HydrophobicContact CB-CD1 4.27Å; V1538-L1550 HydrophobicContact CG2-CD1 3.8Å; G1546-L1550 WeakPolarHBondContact O-CB 3.3Å; G1546-L1550 WeakPolarHBondContact O-CG 3.46Å; G1546-L1550 PolarHBondContact O-N 3.34Å; I1547-L1550 PolarHBondContact O-N 2.87Å; L1550-D1552 VanDerWaalsContact C-N 3.32Å; L1550-D1552 PolarHBondContact O-N 3.43Å; L1550-W1553 HydrophobicContact CD2-CE3 4.28Å |
| 1551 | A | 93.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 74% | 0.736 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.6 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1547 N1548 | I1547-A1551 WeakPolarHBondContact O-CB 3.35Å; I1547-A1551 PolarHBondContact O-N 3.3Å; N1548-A1551 PolarHBondContact O-N 2.82Å |
| 1552 | D | 89.9 | Confident | 93.1 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 57.7 | 174.8 | -167.7 | 4.6 | 0 | 0 | 0 | 111.5 | I1549 L1550 N1554 K1555 S1556 | I1549-D1552 CarbonylContact O-C 3.32Å; L1550-D1552 VanDerWaalsContact C-N 3.32Å; L1550-D1552 PolarHBondContact O-N 3.43Å; D1552-N1554 VanDerWaalsContact C-N 3.34Å; D1552-N1554 PolarHBondContact O-N 3.23Å; D1552-K1555 PolarHBondContact O-N 2.82Å; D1552-K1555 WeakPolarHBondContact OD1-CB 3.39Å; D1552-K1555 WeakPolarHBondContact OD2-CB 3.39Å; D1552-K1555 VanDerWaalsContact OD2-CD 3.26Å; D1552-K1555 WeakPolarHBondContact OD2-CD 3.26Å; D1552-S1556 VanDerWaalsContact O-CB 3.24Å; D1552-S1556 WeakPolarHBondContact O-CB 3.35Å; D1552-S1556 PolarHBondContact O-N 3.36Å; D1552-S1556 PolarHBondContact O-OG 3.11Å |
| 1553 | W | 93 | Very high | 93.2 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 9% | 0.087 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.4 | -42.4 | -174.7 | 179 | -107.1 | 0 | 0 | 0 | 113.7 | S1527 L1530 K1531 L1534 I1549 L1550 K1555 S1556 I1557 F1560 | S1527-W1553 WeakPolarHBondContact O-CZ2 3.39Å; L1530-W1553 HydrophobicContact CB-CH2 4.15Å; L1530-W1553 HydrophobicContact CD2-CH2 4.03Å; L1530-W1553 HydrophobicContact CG-CH2 3.9Å; K1531-W1553 HydrophobicContact CB-CD2 4.44Å; K1531-W1553 HydrophobicContact CB-CH2 3.96Å; K1531-W1553 HydrophobicContact CB-CZ2 3.52Å; K1531-W1553 HydrophobicContact CD-CD2 4.21Å; K1531-W1553 HydrophobicContact CD-CG 4.19Å; K1531-W1553 HydrophobicContact CG-CD2 4.1Å; K1531-W1553 HydrophobicContact CG-CE3 4.48Å; K1531-W1553 HydrophobicContact CG-CH2 4.49Å; K1531-W1553 HydrophobicContact CG-CZ2 4.09Å; L1534-W1553 HydrophobicContact CD1-CH2 4.08Å; L1534-W1553 HydrophobicContact CD1-CZ3 3.6Å; I1549-W1553 HydrophobicContact CG2-CE3 4.26Å; I1549-W1553 HydrophobicContact CG2-CZ3 4.19Å; I1549-W1553 WeakPolarHBondContact O-CA 3.29Å; I1549-W1553 PolarHBondContact O-N 2.76Å; L1550-W1553 HydrophobicContact CD2-CE3 4.28Å; W1553-K1555 VanDerWaalsContact C-N 3.26Å; W1553-K1555 PolarHBondContact O-N 3.38Å; W1553-S1556 PolarHBondContact O-N 3.36Å; W1553-I1557 HydrophobicContact CH2-CD1 3.68Å; W1553-I1557 HydrophobicContact CZ2-CD1 3.29Å; W1553-I1557 HydrophobicContact CZ2-CG1 4.42Å; W1553-I1557 WeakPolarHBondContact O-CB 3.28Å; W1553-I1557 WeakPolarHBondContact O-CG2 3.33Å; W1553-I1557 PolarHBondContact O-N 3.06Å; W1553-F1560 HydrophobicContact CZ3-CE2 4.43Å |
| 1554 | N | 87.9 | Confident | 93.2 | Very high | 121 Ų | 121 | 42.1 Ų | 42.1 | 65% | 0.647 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66 | -30.1 | -175 | -72.5 | -25.3 | 0 | 0 | 0 | 112.6 | D1552 I1557 N1558 | D1552-N1554 VanDerWaalsContact C-N 3.34Å; D1552-N1554 PolarHBondContact O-N 3.23Å; N1554-I1557 WeakPolarHBondContact O-CG2 3.29Å; N1554-N1558 PolarHBondContact O-ND2 2.8Å |
| 1555 | K | 89.7 | Confident | 93.2 | Very high | 123 Ų | 123 | 37.4 Ų | 37.4 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -83 | -48 | 172 | -170.3 | -179.7 | -179.5 | -178.4 | 0 | 111 | D1552 W1553 I1557 N1558 | D1552-K1555 PolarHBondContact O-N 2.82Å; D1552-K1555 WeakPolarHBondContact OD1-CB 3.39Å; D1552-K1555 WeakPolarHBondContact OD2-CB 3.39Å; D1552-K1555 VanDerWaalsContact OD2-CD 3.26Å; D1552-K1555 WeakPolarHBondContact OD2-CD 3.26Å; W1553-K1555 VanDerWaalsContact C-N 3.26Å; W1553-K1555 PolarHBondContact O-N 3.38Å; K1555-I1557 VanDerWaalsContact C-N 3.32Å; K1555-I1557 PolarHBondContact O-N 3.01Å; K1555-N1558 WeakPolarHBondContact O-CB 3.41Å; K1555-N1558 PolarHBondContact O-N 3.44Å; K1555-N1558 VanDerWaalsContact O-N 3.11Å |
| 1556 | S | 91.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -31.4 | -173.4 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | D1552 W1553 N1558 H1559 F1560 | D1552-S1556 VanDerWaalsContact O-CB 3.24Å; D1552-S1556 WeakPolarHBondContact O-CB 3.35Å; D1552-S1556 PolarHBondContact O-N 3.36Å; D1552-S1556 PolarHBondContact O-OG 3.11Å; W1553-S1556 PolarHBondContact O-N 3.36Å; S1556-N1558 PolarHBondContact O-N 3.42Å; S1556-H1559 WeakPolarHBondContact O-CB 3.4Å; S1556-H1559 PolarHBondContact O-N 3.14Å; S1556-F1560 WeakPolarHBondContact O-CD2 3.4Å |
| 1557 | I | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -56.3 | -35.6 | 174.6 | -171 | 85.2 | 0 | 0 | 0 | 111.6 | M1520 L1530 W1553 N1554 K1555 H1559 F1560 | M1520-I1557 HydrophobicContact CB-CG1 4.3Å; M1520-I1557 WeakPolarHBondContact CB-O 3.44Å; M1520-I1557 HydrophobicContact CE-CD1 4.44Å; L1530-I1557 HydrophobicContact CD2-CD1 4.26Å; W1553-I1557 HydrophobicContact CH2-CD1 3.68Å; W1553-I1557 HydrophobicContact CZ2-CD1 3.29Å; W1553-I1557 HydrophobicContact CZ2-CG1 4.42Å; W1553-I1557 WeakPolarHBondContact O-CB 3.28Å; W1553-I1557 WeakPolarHBondContact O-CG2 3.33Å; W1553-I1557 PolarHBondContact O-N 3.06Å; N1554-I1557 WeakPolarHBondContact O-CG2 3.29Å; K1555-I1557 VanDerWaalsContact C-N 3.32Å; K1555-I1557 PolarHBondContact O-N 3.01Å; I1557-H1559 PolarHBondContact O-N 2.85Å; I1557-F1560 PolarHBondContact O-N 3.39Å; I1557-F1560 VanDerWaalsContact O-N 3.14Å |
| 1558 | N | 90.9 | Very high | 91.8 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -75 | -5.7 | -179.3 | -56 | -41.9 | 0 | 0 | 0 | 112.9 | L1519 M1520 N1554 K1555 S1556 | L1519-N1558 WeakPolarHBondContact CD2-O 3.24Å; M1520-N1558 WeakPolarHBondContact O-CA 3.29Å; N1554-N1558 PolarHBondContact O-ND2 2.8Å; K1555-N1558 WeakPolarHBondContact O-CB 3.41Å; K1555-N1558 PolarHBondContact O-N 3.44Å; K1555-N1558 VanDerWaalsContact O-N 3.11Å; S1556-N1558 PolarHBondContact O-N 3.42Å |
| 1559 | H | 92.8 | Very high | 91.4 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -97.8 | -3.5 | 173.4 | -58.5 | 170.3 | 0 | 0 | 0 | 112.1 | Y1497 D1498 S1556 I1557 | Y1497-H1559 HydrophobicContact CD2-CB 4.02Å; Y1497-H1559 HydrophobicContact CE2-CB 3.61Å; Y1497-H1559 PolarHBondContact OH-ND1 2.88Å; D1498-H1559 CarbonylContact C-O 3.55Å; D1498-H1559 PolarHBondContact N-O 3.28Å; D1498-H1559 WeakPolarHBondContact O-CB 3.49Å; S1556-H1559 WeakPolarHBondContact O-CB 3.4Å; S1556-H1559 PolarHBondContact O-N 3.14Å; I1557-H1559 PolarHBondContact O-N 2.85Å |
| 1560 | F | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.5 | 172.5 | -80.5 | -86.5 | 0 | 0 | 0 | 111 | V1476 L1478 F1495 V1496 Y1497 M1520 L1530 L1534 I1549 W1553 S1556 I1557 | V1476-F1560 HydrophobicContact CG1-CE1 4.24Å; L1478-F1560 HydrophobicContact CD2-CE1 4.03Å; L1478-F1560 HydrophobicContact CD2-CZ 3.83Å; F1495-F1560 HydrophobicContact CB-CD1 4.17Å; V1496-F1560 CarbonylContact O-C 3.51Å; V1496-F1560 WeakPolarHBondContact O-CA 3.28Å; Y1497-F1560 HydrophobicContact CD2-CD1 4.47Å; Y1497-F1560 AromaticContact CD2-CD2 3.78Å; Y1497-F1560 HydrophobicContact CD2-CD2 3.78Å; Y1497-F1560 HydrophobicContact CD2-CE1 4.23Å; Y1497-F1560 AromaticContact CD2-CE2 3.5Å; Y1497-F1560 HydrophobicContact CD2-CE2 3.5Å; Y1497-F1560 HydrophobicContact CD2-CG 4.27Å; Y1497-F1560 AromaticContact CD2-CZ 3.75Å; Y1497-F1560 HydrophobicContact CD2-CZ 3.75Å; Y1497-F1560 HydrophobicContact CE2-CD2 4.49Å; Y1497-F1560 HydrophobicContact CE2-CE2 4.2Å; Y1497-F1560 HydrophobicContact CG-CE1 4.43Å; Y1497-F1560 HydrophobicContact CG-CE2 4.4Å; Y1497-F1560 HydrophobicContact CG-CZ 4.21Å; M1520-F1560 HydrophobicContact CB-CB 3.84Å; M1520-F1560 WeakPolarHBondContact CB-O 3.45Å; M1520-F1560 HydrophobicContact CG-CB 3.8Å; M1520-F1560 PolarHBondContact N-O 2.55Å; L1530-F1560 HydrophobicContact CD2-CB 4.48Å; L1530-F1560 HydrophobicContact CD2-CD1 4.06Å; L1530-F1560 HydrophobicContact CD2-CD2 4.07Å; L1530-F1560 HydrophobicContact CD2-CE1 4.26Å; L1530-F1560 HydrophobicContact CD2-CE2 4.26Å; L1530-F1560 HydrophobicContact CD2-CG 3.95Å; L1530-F1560 HydrophobicContact CD2-CZ 4.36Å; L1534-F1560 HydrophobicContact CD1-CZ 4.14Å; I1549-F1560 HydrophobicContact CD1-CZ 4.45Å; I1549-F1560 HydrophobicContact CG2-CE2 3.99Å; I1549-F1560 HydrophobicContact CG2-CZ 4.34Å; W1553-F1560 HydrophobicContact CZ3-CE2 4.43Å; S1556-F1560 WeakPolarHBondContact O-CD2 3.4Å; I1557-F1560 PolarHBondContact O-N 3.39Å; I1557-F1560 VanDerWaalsContact O-N 3.14Å |
| 1561 | V | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 122 | 168.3 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | V1496 L1502 F1506 L1517 E1518 | V1496-V1561 PolarHBondContact N-O 2.86Å; V1496-V1561 PolarHBondContact O-N 2.95Å; L1502-V1561 HydrophobicContact CD2-CG1 4.05Å; L1502-V1561 HydrophobicContact CD2-CG2 4.44Å; F1506-V1561 HydrophobicContact CD1-CB 4.03Å; F1506-V1561 HydrophobicContact CD1-CG1 4.05Å; F1506-V1561 HydrophobicContact CD1-CG2 4.27Å; F1506-V1561 HydrophobicContact CE1-CB 3.99Å; F1506-V1561 HydrophobicContact CE1-CG1 3.78Å; L1517-V1561 HydrophobicContact CB-CG1 4.05Å; L1517-V1561 HydrophobicContact CD2-CG1 4.24Å; E1518-V1561 CarbonylContact O-C 3.43Å; E1518-V1561 WeakPolarHBondContact O-CA 3.46Å |
| 1562 | L | 95.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.9 | 172.2 | 174.7 | 60.2 | 0 | 0 | 0 | 109.5 | L1493 F1495 L1517 E1518 M1520 Y1526 F1564 | L1493-L1562 HydrophobicContact CB-CD1 4.32Å; L1493-L1562 HydrophobicContact CD2-CD1 4.27Å; F1495-L1562 HydrophobicContact CD1-CD1 3.97Å; F1495-L1562 HydrophobicContact CE1-CD1 3.65Å; F1495-L1562 HydrophobicContact CZ-CD1 3.95Å; L1517-L1562 WeakPolarHBondContact CA-O 3.48Å; E1518-L1562 HydrophobicContact CB-CB 4.3Å; E1518-L1562 PolarHBondContact N-O 3.33Å; E1518-L1562 PolarHBondContact O-N 3.41Å; M1520-L1562 HydrophobicContact CG-CB 4.09Å; M1520-L1562 HydrophobicContact SD-CB 3.82Å; M1520-L1562 HydrophobicContact SD-CD2 4.04Å; M1520-L1562 HydrophobicContact SD-CG 4.44Å; Y1526-L1562 HydrophobicContact CD2-CD2 4.06Å; Y1526-L1562 HydrophobicContact CE2-CD2 4.26Å; L1562-F1564 HydrophobicContact CD2-CD2 4Å; L1562-F1564 HydrophobicContact CG-CD2 4.37Å |
| 1563 | V | 96 | Very high | 88.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 118.3 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | F1485 A1486 M1489 A1494 V1496 F1506 I1515 L1517 | F1485-V1563 HydrophobicContact CE1-CG2 4.09Å; A1486-V1563 HydrophobicContact CB-CG1 4.1Å; M1489-V1563 HydrophobicContact SD-CG1 4.09Å; A1494-V1563 HydrophobicContact CB-CB 4.07Å; A1494-V1563 HydrophobicContact CB-CG2 4.24Å; A1494-V1563 PolarHBondContact N-O 2.89Å; A1494-V1563 PolarHBondContact O-N 3.05Å; V1496-V1563 HydrophobicContact CG2-CG2 4.44Å; F1506-V1563 HydrophobicContact CE1-CG2 3.97Å; F1506-V1563 HydrophobicContact CZ-CG2 3.67Å; I1515-V1563 HydrophobicContact CB-CG1 4.05Å; I1515-V1563 HydrophobicContact CD1-CG1 3.57Å; I1515-V1563 HydrophobicContact CG1-CG1 4.42Å; I1515-V1563 HydrophobicContact CG2-CG1 3.99Å; L1517-V1563 HydrophobicContact CD2-CB 4.27Å; L1517-V1563 HydrophobicContact CD2-CG1 4.17Å; L1517-V1563 HydrophobicContact CD2-CG2 3.79Å |
| 1564 | F | 94.6 | Very high | 87.8 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.5 | -173.4 | -148.5 | -50.9 | 0 | 0 | 0 | 111 | L1493 D1516 Y1526 L1562 Y1568 R1569 L1572 | L1493-F1564 HydrophobicContact CD2-CD1 4.14Å; L1493-F1564 HydrophobicContact CD2-CD2 3.72Å; L1493-F1564 HydrophobicContact CD2-CE1 4.12Å; L1493-F1564 HydrophobicContact CD2-CE2 3.71Å; L1493-F1564 HydrophobicContact CD2-CG 3.93Å; L1493-F1564 HydrophobicContact CD2-CZ 3.9Å; D1516-F1564 PolarHBondContact N-O 3.38Å; D1516-F1564 PolarHBondContact O-N 3.29Å; Y1526-F1564 HydrophobicContact CE2-CE2 4.12Å; L1562-F1564 HydrophobicContact CD2-CD2 4Å; L1562-F1564 HydrophobicContact CG-CD2 4.37Å; F1564-Y1568 HydrophobicContact CD1-CD1 4.32Å; F1564-Y1568 AromaticContact CE1-CD1 3.66Å; F1564-Y1568 HydrophobicContact CE1-CD1 3.66Å; F1564-Y1568 HydrophobicContact CE1-CE1 4.24Å; F1564-Y1568 HydrophobicContact CE1-CG 4.49Å; F1564-Y1568 HydrophobicContact CZ-CD1 4.36Å; F1564-R1569 HydrophobicContact CD1-CB 3.84Å; F1564-R1569 HydrophobicContact CD1-CG 4.4Å; F1564-R1569 HydrophobicContact CE1-CB 3.63Å; F1564-R1569 HydrophobicContact CE1-CG 4.07Å; F1564-R1569 HydrophobicContact CZ-CB 4.44Å; F1564-R1569 HydrophobicContact CZ-CG 4.44Å; F1564-L1572 HydrophobicContact CE1-CD1 4.24Å; F1564-L1572 HydrophobicContact CZ-CD1 3.9Å |
| 1565 | P | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 131.8 | 176 | -22.1 | 35.1 | 0 | 0 | 0 | 112.7 | M1489 G1492 I1515 D1567 Y1568 R1569 | M1489-P1565 HydrophobicContact CE-CG 3.81Å; M1489-P1565 HydrophobicContact CG-CG 3.79Å; M1489-P1565 HydrophobicContact SD-CG 4.2Å; G1492-P1565 VanDerWaalsContact O-CD 3.3Å; G1492-P1565 WeakPolarHBondContact O-CD 3.47Å; I1515-P1565 HydrophobicContact CG2-CB 4.48Å; I1515-P1565 HydrophobicContact CG2-CG 4.34Å; P1565-D1567 PolarHBondContact O-N 3.18Å; P1565-Y1568 PolarHBondContact O-N 3.27Å; P1565-R1569 PolarHBondContact O-N 2.86Å |
| 1566 | R | 91.1 | Very high | 86.2 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.6 | -47.8 | -177.3 | -71.6 | 178 | -173.8 | 135.2 | 11.9 | 112.3 | M1512 E1513 L1514 I1515 D1516 Y1568 R1569 N1570 | M1512-R1566 PolarHBondContact O-NH1 3.02Å; E1513-R1566 PolarHBondContact O-NH1 3.46Å; L1514-R1566 PolarHBondContact O-N 2.99Å; I1515-R1566 PolarHBondContact O-NH2 2.89Å; I1515-R1566 VanDerWaalsContact O-NH2 3.07Å; D1516-R1566 IonicContact OD1-CZ 2.62Å; D1516-R1566 VanDerWaalsContact OD1-CZ 3.27Å; D1516-R1566 IonicContact OD1-NE 2.86Å; D1516-R1566 PolarHBondContact OD1-NE 3.21Å; D1516-R1566 IonicContact OD1-NH2 2.88Å; D1516-R1566 PolarHBondContact OD1-NH2 2.96Å; D1516-R1566 WeakPolarHBondContact OD2-CG 3.45Å; D1516-R1566 IonicContact OD2-NE 3.72Å; R1566-Y1568 VanDerWaalsContact C-N 3.31Å; R1566-Y1568 PolarHBondContact O-N 3.38Å; R1566-R1569 PolarHBondContact O-N 3.16Å; R1566-N1570 WeakPolarHBondContact O-CB 3.5Å; R1566-N1570 PolarHBondContact O-N 3.34Å; R1566-N1570 PolarHBondContact O-ND2 2.85Å |
| 1567 | D | 80.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | -179.8 | -77.3 | -11.5 | 0 | 0 | 0 | 111.8 | V1034 P1565 N1570 A1571 | V1034-D1567 HydrophobicContact CG1-CB 4.44Å; V1034-D1567 HydrophobicContact CG2-CB 3.9Å; P1565-D1567 PolarHBondContact O-N 3.18Å; D1567-N1570 PolarHBondContact O-N 2.86Å; D1567-A1571 WeakPolarHBondContact O-CB 3.35Å; D1567-A1571 PolarHBondContact O-N 2.7Å |
| 1568 | Y | 82.2 | Confident | 83.6 | Confident | 58 Ų | 58 | 55 Ų | 55 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 174.9 | -177 | -128.7 | 0 | 0 | 0 | 112 | V1031 L1493 F1564 P1565 R1566 N1570 A1571 L1572 | V1031-Y1568 HydrophobicContact CG1-CD2 4.1Å; V1031-Y1568 HydrophobicContact CG2-CD2 3.61Å; V1031-Y1568 HydrophobicContact CG2-CE2 4.2Å; V1031-Y1568 HydrophobicContact CG2-CG 4.47Å; L1493-Y1568 HydrophobicContact CD2-CE1 4.28Å; F1564-Y1568 HydrophobicContact CD1-CD1 4.32Å; F1564-Y1568 AromaticContact CE1-CD1 3.66Å; F1564-Y1568 HydrophobicContact CE1-CD1 3.66Å; F1564-Y1568 HydrophobicContact CE1-CE1 4.24Å; F1564-Y1568 HydrophobicContact CE1-CG 4.49Å; F1564-Y1568 HydrophobicContact CZ-CD1 4.36Å; P1565-Y1568 PolarHBondContact O-N 3.27Å; R1566-Y1568 VanDerWaalsContact C-N 3.31Å; R1566-Y1568 PolarHBondContact O-N 3.38Å; Y1568-N1570 VanDerWaalsContact C-N 3.33Å; Y1568-N1570 PolarHBondContact O-N 2.74Å; Y1568-A1571 PolarHBondContact O-N 3.45Å; Y1568-L1572 HydrophobicContact CD1-CD1 4.04Å; Y1568-L1572 HydrophobicContact CD2-CD1 4.43Å; Y1568-L1572 HydrophobicContact CD2-CG 4.22Å; Y1568-L1572 HydrophobicContact CE1-CD1 3.59Å; Y1568-L1572 HydrophobicContact CE1-CG 4.34Å; Y1568-L1572 HydrophobicContact CE2-CD1 4.02Å; Y1568-L1572 HydrophobicContact CE2-CD2 4.04Å; Y1568-L1572 HydrophobicContact CE2-CG 3.86Å; Y1568-L1572 HydrophobicContact CG-CD1 4.43Å; Y1568-L1572 WeakPolarHBondContact O-CG 3.11Å; Y1568-L1572 PolarHBondContact O-N 3.38Å |
| 1569 | R | 86.3 | Confident | 81.9 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 174.6 | -166.3 | -173.4 | -70.7 | 136 | -3.7 | 110.9 | D1516 E1518 F1564 P1565 R1566 A1571 L1572 A1573 | D1516-R1569 IonicContact OD2-CZ 3.87Å; D1516-R1569 IonicContact OD2-NH1 3.21Å; D1516-R1569 PolarHBondContact OD2-NH1 3.26Å; D1516-R1569 IonicContact OD2-NH2 3.13Å; E1518-R1569 IonicContact OE1-CZ 3.3Å; E1518-R1569 IonicContact OE1-NE 2.77Å; E1518-R1569 IonicContact OE1-NH2 3.22Å; E1518-R1569 PolarHBondContact OE1-NH2 3.23Å; F1564-R1569 HydrophobicContact CD1-CB 3.84Å; F1564-R1569 HydrophobicContact CD1-CG 4.4Å; F1564-R1569 HydrophobicContact CE1-CB 3.63Å; F1564-R1569 HydrophobicContact CE1-CG 4.07Å; F1564-R1569 HydrophobicContact CZ-CB 4.44Å; F1564-R1569 HydrophobicContact CZ-CG 4.44Å; P1565-R1569 PolarHBondContact O-N 2.86Å; R1566-R1569 PolarHBondContact O-N 3.16Å; R1569-A1571 VanDerWaalsContact C-N 3.33Å; R1569-A1571 PolarHBondContact O-N 3.38Å; R1569-L1572 PolarHBondContact O-N 3.23Å; R1569-A1573 WeakPolarHBondContact O-CB 3.49Å; R1569-A1573 PolarHBondContact O-N 3.31Å |
| 1570 | N | 82.2 | Confident | 79.9 | Confident | 91 Ų | 91 | 60.2 Ų | 60.2 | 49% | 0.487 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 177.2 | -70.1 | -24.7 | 0 | 0 | 0 | 111.7 | R1566 D1567 Y1568 K1574 | R1566-N1570 WeakPolarHBondContact O-CB 3.5Å; R1566-N1570 PolarHBondContact O-N 3.34Å; R1566-N1570 PolarHBondContact O-ND2 2.85Å; D1567-N1570 PolarHBondContact O-N 2.86Å; Y1568-N1570 VanDerWaalsContact C-N 3.33Å; Y1568-N1570 PolarHBondContact O-N 2.74Å; N1570-K1574 WeakPolarHBondContact O-CG 2.93Å; N1570-K1574 PolarHBondContact O-N 2.84Å |
| 1571 | A | 75.6 | Confident | 77.5 | Confident | 13 Ų | 13 | 64 Ų | 64 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1031 D1567 Y1568 R1569 A1573 K1574 L1575 | V1031-A1571 HydrophobicContact CG1-CB 3.44Å; V1031-A1571 VanDerWaalsContact CG1-CB 3.44Å; D1567-A1571 WeakPolarHBondContact O-CB 3.35Å; D1567-A1571 PolarHBondContact O-N 2.7Å; Y1568-A1571 PolarHBondContact O-N 3.45Å; R1569-A1571 VanDerWaalsContact C-N 3.33Å; R1569-A1571 PolarHBondContact O-N 3.38Å; A1571-A1573 VanDerWaalsContact C-N 3.33Å; A1571-A1573 PolarHBondContact O-N 3.42Å; A1571-K1574 PolarHBondContact O-N 3.19Å; A1571-L1575 WeakPolarHBondContact O-CB 3.23Å; A1571-L1575 WeakPolarHBondContact O-CG 3.32Å; A1571-L1575 PolarHBondContact O-N 3.23Å |
| 1572 | L | 78.7 | Confident | 74.7 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 27% | 0.267 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 176.4 | -73.4 | 176.5 | 0 | 0 | 0 | 112.4 | F1564 Y1568 R1569 L1575 K1576 | F1564-L1572 HydrophobicContact CE1-CD1 4.24Å; F1564-L1572 HydrophobicContact CZ-CD1 3.9Å; Y1568-L1572 HydrophobicContact CD1-CD1 4.04Å; Y1568-L1572 HydrophobicContact CD2-CD1 4.43Å; Y1568-L1572 HydrophobicContact CD2-CG 4.22Å; Y1568-L1572 HydrophobicContact CE1-CD1 3.59Å; Y1568-L1572 HydrophobicContact CE1-CG 4.34Å; Y1568-L1572 HydrophobicContact CE2-CD1 4.02Å; Y1568-L1572 HydrophobicContact CE2-CD2 4.04Å; Y1568-L1572 HydrophobicContact CE2-CG 3.86Å; Y1568-L1572 HydrophobicContact CG-CD1 4.43Å; Y1568-L1572 WeakPolarHBondContact O-CG 3.11Å; Y1568-L1572 PolarHBondContact O-N 3.38Å; R1569-L1572 PolarHBondContact O-N 3.23Å; L1572-L1575 PolarHBondContact O-N 3.27Å; L1572-K1576 WeakPolarHBondContact O-CB 3.42Å; L1572-K1576 PolarHBondContact O-N 3.47Å |
| 1573 | A | 78.9 | Confident | 71.5 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1569 A1571 K1576 A1577 | R1569-A1573 WeakPolarHBondContact O-CB 3.49Å; R1569-A1573 PolarHBondContact O-N 3.31Å; A1571-A1573 VanDerWaalsContact C-N 3.33Å; A1571-A1573 PolarHBondContact O-N 3.42Å; A1573-K1576 PolarHBondContact O-N 3.15Å; A1573-A1577 WeakPolarHBondContact O-CB 3.43Å; A1573-A1577 PolarHBondContact O-N 2.62Å |
| 1574 | K | 74.9 | Confident | 68.7 | Low | 159 Ų | 159 | 80.9 Ų | 80.9 | 69% | 0.691 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62 | -43.2 | 174.2 | -75.8 | 177.5 | -177.7 | 177 | 0 | 112.1 | N1570 A1571 A1577 S1578 | N1570-K1574 WeakPolarHBondContact O-CG 2.93Å; N1570-K1574 PolarHBondContact O-N 2.84Å; A1571-K1574 PolarHBondContact O-N 3.19Å; K1574-A1577 PolarHBondContact O-N 3.12Å; K1574-S1578 PolarHBondContact O-N 3.07Å; K1574-S1578 PolarHBondContact O-OG 3.28Å |
| 1575 | L | 71 | Confident | 65.7 | Low | 83 Ų | 83 | 89.2 Ų | 89.2 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.1 | -80.2 | 161.6 | 0 | 0 | 0 | 111.8 | A1571 L1572 A1577 S1578 T1579 | A1571-L1575 WeakPolarHBondContact O-CB 3.23Å; A1571-L1575 WeakPolarHBondContact O-CG 3.32Å; A1571-L1575 PolarHBondContact O-N 3.23Å; L1572-L1575 PolarHBondContact O-N 3.27Å; L1575-A1577 VanDerWaalsContact C-N 3.34Å; L1575-A1577 PolarHBondContact O-N 3.45Å; L1575-S1578 WeakPolarHBondContact CA-OG 3.46Å; L1575-S1578 PolarHBondContact O-N 2.97Å; L1575-S1578 PolarHBondContact O-OG 3.17Å; L1575-T1579 PolarHBondContact O-N 3.03Å; L1575-T1579 PolarHBondContact O-OG1 3.21Å |
| 1576 | K | 72.9 | Confident | 62.7 | Low | 162 Ų | 162 | 95.7 Ų | 95.7 | 70% | 0.704 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.8 | -47 | 173.7 | -84.6 | -175.9 | 176.3 | -179.9 | 0 | 111.2 | L1572 A1573 S1578 T1579 T1580 | L1572-K1576 WeakPolarHBondContact O-CB 3.42Å; L1572-K1576 PolarHBondContact O-N 3.47Å; A1573-K1576 PolarHBondContact O-N 3.15Å; K1576-S1578 PolarHBondContact O-N 3.32Å; K1576-T1579 PolarHBondContact O-N 3.06Å; K1576-T1580 PolarHBondContact O-N 2.83Å; K1576-T1580 PolarHBondContact O-OG1 3.03Å |
| 1577 | A | 69.2 | Low | 59.8 | Low | 58 Ų | 58 | 99.6 Ų | 99.6 | 48% | 0.479 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1573 K1574 L1575 T1580 A1581 | A1573-A1577 WeakPolarHBondContact O-CB 3.43Å; A1573-A1577 PolarHBondContact O-N 2.62Å; K1574-A1577 PolarHBondContact O-N 3.12Å; L1575-A1577 VanDerWaalsContact C-N 3.34Å; L1575-A1577 PolarHBondContact O-N 3.45Å; A1577-T1580 WeakPolarHBondContact CA-OG1 3.45Å; A1577-T1580 PolarHBondContact O-OG1 3.28Å; A1577-A1581 WeakPolarHBondContact O-CB 3.41Å; A1577-A1581 PolarHBondContact O-N 2.99Å |
| 1578 | S | 60.4 | Low | 57.3 | Low | 64 Ų | 64 | 105.3 Ų | 105.3 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.7 | -34 | 174.9 | 61 | 0 | 0 | 0 | 0 | 112.2 | K1574 L1575 K1576 A1581 T1582 | K1574-S1578 PolarHBondContact O-N 3.07Å; K1574-S1578 PolarHBondContact O-OG 3.28Å; L1575-S1578 WeakPolarHBondContact CA-OG 3.46Å; L1575-S1578 PolarHBondContact O-N 2.97Å; L1575-S1578 PolarHBondContact O-OG 3.17Å; K1576-S1578 PolarHBondContact O-N 3.32Å; S1578-A1581 PolarHBondContact O-N 3.04Å; S1578-T1582 PolarHBondContact O-OG1 3.35Å |
| 1579 | T | 56.2 | Low | 54.9 | Low | 101 Ų | 101 | 109 Ų | 109 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.2 | -32.8 | 178 | -39.4 | 0 | 0 | 0 | 0 | 111.9 | L1575 K1576 T1582 | L1575-T1579 PolarHBondContact O-N 3.03Å; L1575-T1579 PolarHBondContact O-OG1 3.21Å; K1576-T1579 PolarHBondContact O-N 3.06Å; T1579-T1582 PolarHBondContact O-OG1 3.35Å |
| 1580 | T | 48.9 | Very low | 52.1 | Low | 119 Ų | 119 | 110.9 Ų | 110.9 | 73% | 0.73 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.4 | -19.3 | 172.7 | 28.8 | 0 | 0 | 0 | 0 | 114.1 | K1576 A1577 | K1576-T1580 PolarHBondContact O-N 2.83Å; K1576-T1580 PolarHBondContact O-OG1 3.03Å; A1577-T1580 WeakPolarHBondContact CA-OG1 3.45Å; A1577-T1580 PolarHBondContact O-OG1 3.28Å |
| 1581 | A | 44.6 | Very low | 49.9 | Very low | 80 Ų | 80 | 112.4 Ų | 112.4 | 66% | 0.661 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -82.2 | -10.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1577 S1578 D1583 | A1577-A1581 WeakPolarHBondContact O-CB 3.41Å; A1577-A1581 PolarHBondContact O-N 2.99Å; S1578-A1581 PolarHBondContact O-N 3.04Å; A1581-D1583 PolarHBondContact O-N 2.93Å |
| 1582 | T | 37.1 | Very low | 47.8 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 66% | 0.656 | 67% | 0.672 | S | S | * | * | trans | -96.1 | 36.9 | -177.6 | 40.2 | 0 | 0 | 0 | 0 | 114.7 | S1578 T1579 P1584 | S1578-T1582 PolarHBondContact O-OG1 3.35Å; T1579-T1582 PolarHBondContact O-OG1 3.35Å; T1582-P1584 VanDerWaalsContact C-CD 3.46Å | ||
| 1583 | D | 29.2 | Very low | 45.3 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | trans | -123.1 | 70.7 | 165.2 | -156.8 | 5.4 | 0 | 0 | 0 | 112.1 | A1581 | A1581-D1583 PolarHBondContact O-N 2.93Š| ||
| 1584 | P | 36.2 | Very low | 42.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -87.7 | 106.8 | 157.1 | 31.9 | -22.3 | 0 | 0 | 0 | 107.6 | T1582 V1586 | T1582-P1584 VanDerWaalsContact C-CD 3.46Å; P1584-V1586 PolarHBondContact O-N 3.3Å; P1584-V1586 VanDerWaalsContact O-N 3.09Å | ||
| 1585 | K | 31.9 | Very low | 40.5 | Very low | 187 Ų | 187 | 126.2 Ų | 126.2 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -35.1 | 120 | 163.3 | -84.3 | 178 | 175.9 | 173.9 | 0 | 110.5 | Q1587 | K1585-Q1587 PolarHBondContact O-N 3.17Š| ||
| 1586 | V | 29.5 | Very low | 38.4 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | trans | -42.7 | 99.4 | 164.8 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | P1584 | P1584-V1586 PolarHBondContact O-N 3.3Å; P1584-V1586 VanDerWaalsContact O-N 3.09Å | ||
| 1587 | Q | 29.5 | Very low | 36.2 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -103.7 | 102.9 | 158.1 | -89.3 | -171 | -4.2 | 0 | 0 | 108.3 | K1585 T1589 | K1585-Q1587 PolarHBondContact O-N 3.17Å; Q1587-T1589 PolarHBondContact O-N 3.41Å | ||
| 1588 | K | 27.9 | Very low | 34.2 | Very low | 190 Ų | 190 | 132.5 Ų | 132.5 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -52.4 | 120.2 | 159.9 | -73.9 | 175.9 | 173.3 | 177.6 | 0 | 109 | ||||
| 1589 | T | 31.7 | Very low | 32.5 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | -136 | 135.9 | 151.5 | 36.5 | 0 | 0 | 0 | 0 | 110.3 | Q1587 | Q1587-T1589 PolarHBondContact O-N 3.41Š| ||
| 1590 | S | 27.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -78.3 | 170.7 | -162.9 | -51.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1591 | P | 36 | Very low | 30.1 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -89.5 | 137.7 | -172.9 | 34.7 | -28.4 | 0 | 0 | 0 | 111.9 | ||||
| 1592 | I | 31.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -143.1 | 107.2 | 170.4 | -57.9 | -177.9 | 0 | 0 | 0 | 111.5 | ||||
| 1593 | V | 26.6 | Very low | 29 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | 39.5 | 144.3 | 119.5 | -170.1 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1594 | E | 26.8 | Very low | 29.2 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -60.6 | 158.4 | -178.2 | -60.1 | 173.8 | 133.7 | 0 | 0 | 119.8 | ||||
| 1595 | S | 27 | Very low | 28.9 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 76.4 | 146 | 149.9 | 82.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1596 | N | 25.6 | Very low | 28.9 | Very low | 137 Ų | 137 | 142.1 Ų | 142.1 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | cis | -169.6 | 149.6 | 15.9 | -119.3 | -28.4 | 0 | 0 | 0 | 110.1 | ||||
| 1597 | K | 26.4 | Very low | 28.9 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 48.2 | 126.2 | 139.7 | -76.1 | -174.9 | 179.4 | 178.9 | 0 | 125.5 | ||||
| 1598 | V | 27.1 | Very low | 29.4 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | 97.3 | 122.1 | 120 | 175.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1599 | N | 26.3 | Very low | 29.8 | Very low | 151 Ų | 151 | 138.5 Ų | 138.5 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 82.2 | 121.5 | 144.4 | -75.2 | -4.4 | 0 | 0 | 0 | 126.1 | ||||
| 1600 | A | 27.2 | Very low | 30 | Very low | 83 Ų | 83 | 138 Ų | 138 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | 99.4 | 122.3 | 117.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1601 | H | 26.3 | Very low | 30.6 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 91% | 0.912 | 78% | 0.776 | S | S | * | * | trans | 58.5 | 117.4 | 145.5 | -66.5 | -59.7 | 0 | 0 | 0 | 121.9 | ||||
| 1602 | G | 29.7 | Very low | 30.3 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -167.2 | 94.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1603 | T | 28.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 91% | 0.914 | 77% | 0.77 | S | S | * | * | trans | -67.4 | 124.3 | 169.9 | 27.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1604 | Q | 33.8 | Very low | 30.4 | Very low | 184 Ų | 184 | 139.2 Ų | 139.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -118.6 | 117 | 166.5 | -144.6 | 174 | 13.3 | 0 | 0 | 108.1 | ||||
| 1605 | T | 29.1 | Very low | 30.5 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -67.8 | 124 | 176.4 | -19.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1606 | T | 32 | Very low | 30.8 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -112.4 | 141.3 | 169.8 | 36.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1607 | D | 29.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | trans | -75.1 | 154 | -167.9 | -152.4 | -20.1 | 0 | 0 | 0 | 112.5 | E1609 | D1607-E1609 VanDerWaalsContact C-N 3.29Å; D1607-E1609 PolarHBondContact O-N 3.08Å | ||
| 1608 | I | 40.9 | Very low | 32.8 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -75 | -15.2 | -168.6 | -160.6 | 165.1 | 0 | 0 | 0 | 113.8 | ||
| 1609 | E | 35.5 | Very low | 34.8 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -85.6 | -11 | -178.4 | -63.1 | -77.6 | 144.6 | 0 | 0 | 113.5 | D1607 V1611 | D1607-E1609 VanDerWaalsContact C-N 3.29Å; D1607-E1609 PolarHBondContact O-N 3.08Å; E1609-V1611 VanDerWaalsContact C-N 3.27Å; E1609-V1611 PolarHBondContact O-N 3.23Å |
| 1610 | D | 35.8 | Very low | 37.4 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -85.6 | 10.2 | 177.3 | -74.6 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 1611 | V | 40 | Very low | 40 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -91.4 | 3.1 | -170.2 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | E1609 | E1609-V1611 VanDerWaalsContact C-N 3.27Å; E1609-V1611 PolarHBondContact O-N 3.23Å |
| 1612 | I | 30.7 | Very low | 42.9 | Very low | 143 Ų | 143 | 127 Ų | 127 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -119.6 | 69.9 | 174.2 | -46.9 | 179.1 | 0 | 0 | 0 | 110.1 | ||||
| 1613 | N | 29 | Very low | 45.4 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 75% | 0.754 | 68% | 0.677 | S | S | * | * | trans | -87.5 | 97.6 | 155.2 | -90.6 | -29.2 | 0 | 0 | 0 | 107.9 | E1615 | N1613-E1615 PolarHBondContact O-N 2.72Š| ||
| 1614 | D | 30.1 | Very low | 48.1 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | trans | -66 | 72.9 | 153.9 | -82.1 | -29 | 0 | 0 | 0 | 107.8 | ||||
| 1615 | E | 28.5 | Very low | 50.7 | Low | 157 Ų | 157 | 114.8 Ų | 114.8 | 73% | 0.734 | 61% | 0.607 | S | S | * | * | trans | -58.4 | 130.5 | 159.7 | -78.1 | -161.1 | 167.9 | 0 | 0 | 106.7 | N1613 T1617 | N1613-E1615 PolarHBondContact O-N 2.72Å; E1615-T1617 VanDerWaalsContact C-N 3.27Å; E1615-T1617 PolarHBondContact O-N 3.29Å | ||
| 1616 | P | 34.4 | Very low | 53.5 | Low | 124 Ų | 124 | 108.2 Ų | 108.2 | 81% | 0.805 | 57% | 0.566 | S | S | * | * | trans | -62.6 | 98.5 | 175.1 | 25.9 | -30.9 | 0 | 0 | 0 | 106.6 | E1618 | P1616-E1618 PolarHBondContact O-N 3.45Š| ||
| 1617 | T | 43.6 | Very low | 56.2 | Low | 134 Ų | 134 | 104.7 Ų | 104.7 | 82% | 0.822 | 54% | 0.544 | S | S | * | . | trans | -45.4 | 112.4 | -178.6 | 22.3 | 0 | 0 | 0 | 0 | 108.4 | E1615 K1619 | E1615-T1617 VanDerWaalsContact C-N 3.27Å; E1615-T1617 PolarHBondContact O-N 3.29Å; T1617-K1619 PolarHBondContact O-N 2.89Å | ||
| 1618 | E | 51.3 | Low | 58.9 | Low | 168 Ų | 168 | 104.6 Ų | 104.6 | 79% | 0.785 | 54% | 0.538 | S | S | * | . | trans | -52.9 | 114.2 | -174.9 | -164.9 | -169.4 | -172.6 | 0 | 0 | 108 | P1616 L1620 | P1616-E1618 PolarHBondContact O-N 3.45Å; E1618-L1620 PolarHBondContact O-N 2.86Å | ||
| 1619 | K | 68 | Low | 61.3 | Low | 173 Ų | 173 | 99.1 Ų | 99.1 | 75% | 0.752 | 51% | 0.509 | S | S | * | . | trans | -59.9 | 114.9 | -170.9 | -152.8 | 173.6 | -170.8 | 171.7 | 0 | 108.3 | S746 T1617 D1621 | S746-K1619 PolarHBondContact OG-NZ 3.47Å; T1617-K1619 PolarHBondContact O-N 2.89Å; K1619-D1621 PolarHBondContact O-N 2.83Å | ||
| 1620 | L | 80.2 | Confident | 63.8 | Low | 57 Ų | 57 | 95 Ų | 95 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | trans | -58.4 | 131.5 | -172.6 | -69.3 | 171 | 0 | 0 | 0 | 111.3 | E1618 K1622 Y1629 V1660 K1661 F1694 | E1618-L1620 PolarHBondContact O-N 2.86Å; L1620-K1622 PolarHBondContact O-N 3.01Å; L1620-Y1629 WeakPolarHBondContact CA-OH 3.4Å; L1620-Y1629 HydrophobicContact CD2-CE1 4.35Å; L1620-Y1629 HydrophobicContact CD2-CE2 4.12Å; L1620-V1660 HydrophobicContact CD1-CG1 3.95Å; L1620-K1661 HydrophobicContact CD1-CB 4.32Å; L1620-K1661 HydrophobicContact CD2-CB 4.26Å; L1620-K1661 HydrophobicContact CD2-CD 4.38Å; L1620-K1661 HydrophobicContact CD2-CG 4.02Å; L1620-F1694 HydrophobicContact CB-CE2 3.8Å; L1620-F1694 HydrophobicContact CB-CZ 4.46Å | ||
| 1621 | D | 83.7 | Confident | 66.3 | Low | 36 Ų | 36 | 91.3 Ų | 91.3 | 19% | 0.193 | 48% | 0.481 | C | S | . | . | trans | -87 | 107.9 | -179.1 | -175.9 | -17.3 | 0 | 0 | 0 | 110.5 | K1619 V1623 R1624 G1625 K1628 Y1629 | K1619-D1621 PolarHBondContact O-N 2.83Å; D1621-V1623 PolarHBondContact OD1-N 3.13Å; D1621-R1624 PolarHBondContact OD1-N 2.93Å; D1621-R1624 WeakPolarHBondContact OD2-CB 3.27Å; D1621-G1625 WeakPolarHBondContact O-CA 3.09Å; D1621-G1625 PolarHBondContact O-N 3.32Å; D1621-K1628 HydrophobicContact CB-CD 3.87Å; D1621-K1628 VanDerWaalsContact OD2-CE 3.28Å; D1621-K1628 WeakPolarHBondContact OD2-CE 3.22Å; D1621-K1628 IonicContact OD2-NZ 2.66Å; D1621-K1628 PolarHBondContact OD2-NZ 3.46Å; D1621-Y1629 PolarHBondContact N-OH 3.32Å | ||
| 1622 | K | 85.7 | Confident | 68.3 | Low | 38 Ų | 38 | 90.4 Ų | 90.4 | 17% | 0.165 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -72.8 | -35.7 | 177 | -175.4 | 52.8 | 171.4 | 158.8 | 0 | 113.2 | L1620 A1663 C1666 D1691 F1694 | L1620-K1622 PolarHBondContact O-N 3.01Å; K1622-A1663 PolarHBondContact NZ-O 2.76Å; K1622-C1666 PolarHBondContact NZ-O 2.75Å; K1622-D1691 WeakPolarHBondContact CE-OD1 3.41Å; K1622-F1694 HydrophobicContact CB-CD1 4.3Å; K1622-F1694 HydrophobicContact CB-CE1 3.67Å; K1622-F1694 HydrophobicContact CB-CE2 4.25Å; K1622-F1694 HydrophobicContact CB-CZ 3.65Å; K1622-F1694 HydrophobicContact CD-CD1 3.91Å; K1622-F1694 HydrophobicContact CD-CD2 4.28Å; K1622-F1694 HydrophobicContact CD-CE1 4.16Å; K1622-F1694 HydrophobicContact CD-CE2 4.49Å; K1622-F1694 HydrophobicContact CD-CG 3.99Å; K1622-F1694 HydrophobicContact CD-CZ 4.45Å; K1622-F1694 HydrophobicContact CG-CD1 4.13Å; K1622-F1694 HydrophobicContact CG-CE1 3.97Å; K1622-F1694 HydrophobicContact CG-CZ 4.36Å |
| 1623 | V | 82.8 | Confident | 70.1 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -74.7 | -40.4 | -171.7 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | T1183 D1621 F1626 | T1183-V1623 HydrophobicContact CG2-CG1 3.67Å; D1621-V1623 PolarHBondContact OD1-N 3.13Å; V1623-F1626 WeakPolarHBondContact O-CE1 3.37Å |
| 1624 | R | 86 | Confident | 71.9 | Confident | 78 Ų | 78 | 87.7 Ų | 87.7 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -108.6 | 14.1 | 177.4 | -56.1 | -168.9 | 65.4 | 151.5 | 6 | 113.6 | T1183 D1192 D1621 F1626 V1627 K1628 | T1183-R1624 HydrophobicContact CG2-CG 4.3Å; D1192-R1624 IonicContact OD1-NH2 3.71Å; D1192-R1624 IonicContact OD2-CZ 2.77Å; D1192-R1624 IonicContact OD2-NH1 3.67Å; D1192-R1624 PolarHBondContact OD2-NH1 3.46Å; D1192-R1624 IonicContact OD2-NH2 2.88Å; D1192-R1624 PolarHBondContact OD2-NH2 2.79Å; D1621-R1624 PolarHBondContact OD1-N 2.93Å; D1621-R1624 WeakPolarHBondContact OD2-CB 3.27Å; R1624-F1626 PolarHBondContact O-N 3Å; R1624-F1626 VanDerWaalsContact O-N 3.15Å; R1624-V1627 WeakPolarHBondContact O-CA 3.4Å; R1624-V1627 WeakPolarHBondContact O-CB 3.26Å; R1624-V1627 PolarHBondContact O-N 3.05Å; R1624-K1628 HydrophobicContact CB-CD 4.34Å; R1624-K1628 HydrophobicContact CB-CG 4.37Å; R1624-K1628 PolarHBondContact O-N 3.36Å |
| 1625 | G | 87.5 | Confident | 73.8 | Confident | 0 Ų | 0 | 83.9 Ų | 83.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.6 | -34.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1621 V1627 Y1629 | D1621-G1625 WeakPolarHBondContact O-CA 3.09Å; D1621-G1625 PolarHBondContact O-N 3.32Å; G1625-V1627 VanDerWaalsContact C-N 3.26Å; G1625-V1627 PolarHBondContact O-N 2.96Å; G1625-Y1629 VanDerWaalsContact O-CB 3.31Å; G1625-Y1629 WeakPolarHBondContact O-CB 3.02Å; G1625-Y1629 WeakPolarHBondContact O-CD2 3.44Å; G1625-Y1629 PolarHBondContact O-N 3.4Å |
| 1626 | F | 89.2 | Confident | 76.4 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -70.2 | -18.8 | 176.3 | 69.9 | -86.8 | 0 | 0 | 0 | 114.8 | L1195 V1623 R1624 R1665 M1667 L1729 | L1195-F1626 HydrophobicContact CD1-CZ 4.46Å; L1195-F1626 HydrophobicContact CD2-CE2 3.82Å; L1195-F1626 HydrophobicContact CD2-CZ 4.24Å; V1623-F1626 WeakPolarHBondContact O-CE1 3.37Å; R1624-F1626 PolarHBondContact O-N 3Å; R1624-F1626 VanDerWaalsContact O-N 3.15Å; F1626-R1665 WeakPolarHBondContact CB-O 3.43Å; F1626-M1667 HydrophobicContact CB-CG 4.38Å; F1626-M1667 HydrophobicContact CD1-CG 3.63Å; F1626-M1667 HydrophobicContact CD1-SD 4.2Å; F1626-M1667 HydrophobicContact CD2-SD 4.28Å; F1626-M1667 HydrophobicContact CE1-CG 3.98Å; F1626-M1667 HydrophobicContact CE1-SD 4.18Å; F1626-M1667 HydrophobicContact CE2-SD 4.24Å; F1626-M1667 HydrophobicContact CG-CG 3.97Å; F1626-M1667 HydrophobicContact CG-SD 4.25Å; F1626-M1667 HydrophobicContact CZ-SD 4.19Å; F1626-L1729 HydrophobicContact CB-CD1 3.65Å; F1626-L1729 HydrophobicContact CB-CD2 3.69Å; F1626-L1729 HydrophobicContact CB-CG 4.31Å; F1626-L1729 HydrophobicContact CD2-CD2 3.53Å; F1626-L1729 HydrophobicContact CE2-CD2 4.34Å; F1626-L1729 HydrophobicContact CG-CD2 3.79Å |
| 1627 | V | 87 | Confident | 79 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 30% | 0.303 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -93.1 | -44.1 | 174.6 | -176 | 0 | 0 | 0 | 0 | 110 | V1194 L1195 R1624 G1625 | V1194-V1627 HydrophobicContact CG1-CG1 4.38Å; L1195-V1627 HydrophobicContact CD2-CG2 3.92Å; R1624-V1627 WeakPolarHBondContact O-CA 3.4Å; R1624-V1627 WeakPolarHBondContact O-CB 3.26Å; R1624-V1627 PolarHBondContact O-N 3.05Å; G1625-V1627 VanDerWaalsContact C-N 3.26Å; G1625-V1627 PolarHBondContact O-N 2.96Å |
| 1628 | K | 88 | Confident | 81.1 | Confident | 117 Ų | 117 | 71.9 Ų | 71.9 | 51% | 0.509 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -76.5 | -31.1 | -175 | -72.3 | -179.1 | 168.6 | 178.7 | 0 | 113.4 | D1621 R1624 | D1621-K1628 HydrophobicContact CB-CD 3.87Å; D1621-K1628 VanDerWaalsContact OD2-CE 3.28Å; D1621-K1628 WeakPolarHBondContact OD2-CE 3.22Å; D1621-K1628 IonicContact OD2-NZ 2.66Å; D1621-K1628 PolarHBondContact OD2-NZ 3.46Å; R1624-K1628 HydrophobicContact CB-CD 4.34Å; R1624-K1628 HydrophobicContact CB-CG 4.37Å; R1624-K1628 PolarHBondContact O-N 3.36Å |
| 1629 | Y | 89.6 | Confident | 82.8 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 9% | 0.086 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -116.1 | 120.9 | -171.9 | -46.9 | -46 | 0 | 0 | 0 | 111.6 | L1620 D1621 G1625 K1661 A1664 R1665 | L1620-Y1629 WeakPolarHBondContact CA-OH 3.4Å; L1620-Y1629 HydrophobicContact CD2-CE1 4.35Å; L1620-Y1629 HydrophobicContact CD2-CE2 4.12Å; D1621-Y1629 PolarHBondContact N-OH 3.32Å; G1625-Y1629 VanDerWaalsContact O-CB 3.31Å; G1625-Y1629 WeakPolarHBondContact O-CB 3.02Å; G1625-Y1629 WeakPolarHBondContact O-CD2 3.44Å; G1625-Y1629 PolarHBondContact O-N 3.4Å; Y1629-K1661 HydrophobicContact CD1-CD 4.35Å; Y1629-K1661 HydrophobicContact CD1-CG 4.25Å; Y1629-K1661 HydrophobicContact CD2-CG 4.1Å; Y1629-K1661 HydrophobicContact CG-CD 4.48Å; Y1629-K1661 HydrophobicContact CG-CG 3.95Å; Y1629-A1664 HydrophobicContact CD2-CB 4.08Å; Y1629-A1664 HydrophobicContact CE2-CB 4Å; Y1629-R1665 WeakPolarHBondContact O-CD 3.33Å; Y1629-R1665 PolarHBondContact O-NE 2.69Å |
| 1630 | A | 88.1 | Confident | 83.7 | Confident | 83 Ų | 83 | 62 Ų | 62 | 69% | 0.686 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 152.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1632 Q1662 | A1630-Q1632 PolarHBondContact O-N 3.25Å; A1630-Q1662 PolarHBondContact O-NE2 3.01Å; A1630-Q1662 VanDerWaalsContact O-NE2 3.07Å |
| 1631 | R | 88.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 64 Ų | 64 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 129.2 | 172.7 | -172.4 | 174.5 | -179.5 | -177.9 | 10.3 | 109.7 | K1633 E1724 D1734 P1735 T1737 | R1631-K1633 PolarHBondContact O-N 3.45Å; R1631-E1724 IonicContact CZ-OE2 3.7Å; R1631-E1724 IonicContact NH2-OE1 3.43Å; R1631-E1724 IonicContact NH2-OE2 3.47Å; R1631-E1724 PolarHBondContact NH2-OE2 2.88Å; R1631-D1734 HydrophobicContact CB-CB 3.63Å; R1631-D1734 HydrophobicContact CG-CB 4.27Å; R1631-P1735 WeakPolarHBondContact CD-O 3.12Å; R1631-T1737 HydrophobicContact CG-CG2 3.8Å |
| 1632 | Q | 83.8 | Confident | 84.4 | Confident | 95 Ų | 95 | 62.6 Ų | 62.6 | 44% | 0.444 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 116.8 | 162.9 | -75 | 173.5 | -25.7 | 0 | 0 | 108.4 | A1630 Q1662 | A1630-Q1632 PolarHBondContact O-N 3.25Å; Q1632-Q1662 HydrophobicContact CB-CG 4.41Å |
| 1633 | K | 68.5 | Low | 84.5 | Confident | 161 Ų | 161 | 63 Ų | 63 | 70% | 0.7 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 157 | -179.8 | -71 | -175.4 | 179.1 | 179.3 | 0 | 110.6 | R1631 N1635 | R1631-K1633 PolarHBondContact O-N 3.45Å; K1633-N1635 PolarHBondContact O-N 3.26Å; K1633-N1635 PolarHBondContact O-OD1 2.94Å |
| 1634 | Q | 66.2 | Low | 84.7 | Confident | 66 Ų | 66 | 67.8 Ų | 67.8 | 31% | 0.308 | 33% | 0.33 | S | S | . | . | trans | -64.8 | 107.9 | 178.8 | -53.7 | -170.6 | -9.9 | 0 | 0 | 108.9 | Y1636 | Q1634-Y1636 PolarHBondContact O-N 3.43Š| ||
| 1635 | N | 69 | Low | 84.9 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | trans | -83.4 | 97.9 | 177.3 | -75.6 | -3.1 | 0 | 0 | 0 | 108.8 | K1633 A1651 | K1633-N1635 PolarHBondContact O-N 3.26Å; K1633-N1635 PolarHBondContact O-OD1 2.94Å; N1635-A1651 HydrophobicContact CB-CB 4.2Å; N1635-A1651 WeakPolarHBondContact O-CB 3.37Å; N1635-A1651 PolarHBondContact O-N 3.37Å | ||
| 1636 | Y | 84 | Confident | 84.9 | Confident | 57 Ų | 57 | 69 Ų | 69 | 22% | 0.224 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 149 | 155.8 | -66.5 | -52.6 | 0 | 0 | 0 | 108.9 | Q1634 V1649 Y1650 D2000 | Q1634-Y1636 PolarHBondContact O-N 3.43Å; Y1636-V1649 CarbonylContact C-O 3.55Å; Y1636-V1649 VanDerWaalsContact CA-O 3.29Å; Y1636-V1649 WeakPolarHBondContact CA-O 3.18Å; Y1636-V1649 HydrophobicContact CD1-CB 4.06Å; Y1636-V1649 HydrophobicContact CD1-CG2 3.89Å; Y1636-V1649 HydrophobicContact CE1-CB 4.47Å; Y1636-V1649 HydrophobicContact CE1-CG2 3.85Å; Y1636-Y1650 AromaticContact CD1-CD1 3.84Å; Y1636-Y1650 HydrophobicContact CD1-CD1 3.84Å; Y1636-Y1650 AromaticContact CD1-CE1 3.84Å; Y1636-Y1650 HydrophobicContact CD1-CE1 3.84Å; Y1636-Y1650 AromaticContact CE1-CD1 3.79Å; Y1636-Y1650 HydrophobicContact CE1-CD1 3.79Å; Y1636-Y1650 AromaticContact CE1-CE1 3.3Å; Y1636-Y1650 HydrophobicContact CE1-CE1 3.3Å; Y1636-Y1650 AromaticContact CE1-CZ 3.74Å; Y1636-D2000 PolarHBondContact OH-OD1 2.79Å |
| 1637 | R | 88.7 | Confident | 84.9 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 15% | 0.147 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 152.5 | 166.5 | -66 | -169.6 | -68.5 | 137.4 | 3.4 | 109.6 | V1639 R1642 D1645 E1647 E1648 V1649 A1651 | R1637-V1639 PolarHBondContact O-N 2.85Å; R1637-R1642 HydrophobicContact CB-CG 3.78Å; R1637-R1642 WeakPolarHBondContact O-CD 3.44Å; R1637-R1642 PolarHBondContact O-NE 3.49Å; R1637-D1645 IonicContact CZ-OD1 2.69Å; R1637-D1645 IonicContact CZ-OD2 2.66Å; R1637-D1645 IonicContact NH1-OD1 2.78Å; R1637-D1645 IonicContact NH1-OD2 3.92Å; R1637-D1645 PolarHBondContact NH1-OD2 3.05Å; R1637-D1645 IonicContact NH2-OD1 3.53Å; R1637-D1645 PolarHBondContact NH2-OD1 2.92Å; R1637-D1645 IonicContact NH2-OD2 3.43Å; R1637-E1647 VanDerWaalsContact NH2-C 3.32Å; R1637-E1647 PolarHBondContact NH2-O 3.38Å; R1637-E1648 PolarHBondContact NE-O 2.91Å; R1637-E1648 PolarHBondContact NH2-O 3.35Å; R1637-E1648 VanDerWaalsContact NH2-O 3.16Å; R1637-V1649 PolarHBondContact N-O 3.11Å; R1637-A1651 HydrophobicContact CG-CB 4.24Å |
| 1638 | P | 87.1 | Confident | 85 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 43% | 0.429 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -47.5 | 140.3 | 174.4 | -27.4 | 35.2 | 0 | 0 | 0 | 111.9 | E1640 E1641 R1642 | P1638-E1640 WeakPolarHBondContact CB-OE2 3.38Å; P1638-E1640 PolarHBondContact O-N 2.89Å; P1638-E1641 HydrophobicContact CB-CG 4.36Å; P1638-E1641 PolarHBondContact O-N 3Å; P1638-E1641 VanDerWaalsContact O-N 3.17Å; P1638-R1642 WeakPolarHBondContact O-CG 3.5Å; P1638-R1642 PolarHBondContact O-N 3.24Å; P1638-R1642 VanDerWaalsContact O-N 3.11Å |
| 1639 | V | 87.8 | Confident | 85.1 | Confident | 22 Ų | 22 | 67 Ų | 67 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -38.4 | -175.1 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | R1637 E1641 R1642 V1643 E2005 V2008 | R1637-V1639 PolarHBondContact O-N 2.85Å; V1639-E1641 PolarHBondContact O-N 3.45Å; V1639-R1642 PolarHBondContact O-N 2.94Å; V1639-R1642 VanDerWaalsContact O-N 3.16Å; V1639-V1643 HydrophobicContact CG1-CG1 4.09Å; V1639-V1643 WeakPolarHBondContact O-CG1 3.37Å; V1639-V1643 WeakPolarHBondContact O-CG2 3.48Å; V1639-V1643 PolarHBondContact O-N 3.45Å; V1639-V1643 VanDerWaalsContact O-N 3.08Å; V1639-E2005 HydrophobicContact CG1-CG 4.25Å; V1639-V2008 HydrophobicContact CB-CG2 4.22Å; V1639-V2008 HydrophobicContact CG1-CB 4Å; V1639-V2008 HydrophobicContact CG1-CG1 4.37Å; V1639-V2008 HydrophobicContact CG1-CG2 3.83Å; V1639-V2008 HydrophobicContact CG2-CG2 4.17Å |
| 1640 | E | 87 | Confident | 85 | Confident | 113 Ų | 113 | 67 Ų | 67 | 53% | 0.528 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -28.3 | -177 | -56.8 | 75.5 | -164.9 | 0 | 0 | 112.8 | P1638 K1644 | P1638-E1640 WeakPolarHBondContact CB-OE2 3.38Å; P1638-E1640 PolarHBondContact O-N 2.89Å; E1640-K1644 WeakPolarHBondContact O-CD 3.45Å; E1640-K1644 WeakPolarHBondContact O-CE 3.48Å; E1640-K1644 WeakPolarHBondContact O-CG 3.19Å |
| 1641 | E | 88.5 | Confident | 84.8 | Confident | 98 Ų | 98 | 63.8 Ų | 63.8 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -83.4 | -48.6 | 173 | -64.5 | 177.7 | -170.8 | 0 | 0 | 110.1 | P1638 V1639 V1643 K1644 | P1638-E1641 HydrophobicContact CB-CG 4.36Å; P1638-E1641 PolarHBondContact O-N 3Å; P1638-E1641 VanDerWaalsContact O-N 3.17Å; V1639-E1641 PolarHBondContact O-N 3.45Å; E1641-V1643 VanDerWaalsContact C-N 3.3Å; E1641-V1643 PolarHBondContact O-N 2.92Å; E1641-K1644 PolarHBondContact O-N 3.34Å |
| 1642 | R | 89.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | -174.4 | -72.9 | -169.5 | -71.6 | 132.6 | -12 | 113.8 | R1637 P1638 V1639 K1644 R1964 Y2001 S2004 E2005 | R1637-R1642 HydrophobicContact CB-CG 3.78Å; R1637-R1642 WeakPolarHBondContact O-CD 3.44Å; R1637-R1642 PolarHBondContact O-NE 3.49Å; P1638-R1642 WeakPolarHBondContact O-CG 3.5Å; P1638-R1642 PolarHBondContact O-N 3.24Å; P1638-R1642 VanDerWaalsContact O-N 3.11Å; V1639-R1642 PolarHBondContact O-N 2.94Å; V1639-R1642 VanDerWaalsContact O-N 3.16Å; R1642-K1644 PolarHBondContact O-N 3.3Å; R1642-R1964 PolarHBondContact O-NE 2.86Å; R1642-R1964 PolarHBondContact O-NH2 3.17Å; R1642-Y2001 PolarHBondContact NH1-O 2.93Å; R1642-Y2001 VanDerWaalsContact NH1-O 3.11Å; R1642-S2004 PolarHBondContact NH2-OG 3.38Å; R1642-E2005 IonicContact CZ-OE1 2.76Å; R1642-E2005 VanDerWaalsContact NH1-CD 3.27Å; R1642-E2005 IonicContact NH1-OE1 3.53Å; R1642-E2005 PolarHBondContact NH1-OE1 2.82Å |
| 1643 | V | 88.1 | Confident | 84.2 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -12.4 | -178.6 | -62.5 | 0 | 0 | 0 | 0 | 113.6 | V1639 E1641 V1963 E2005 | V1639-V1643 HydrophobicContact CG1-CG1 4.09Å; V1639-V1643 WeakPolarHBondContact O-CG1 3.37Å; V1639-V1643 WeakPolarHBondContact O-CG2 3.48Å; V1639-V1643 PolarHBondContact O-N 3.45Å; V1639-V1643 VanDerWaalsContact O-N 3.08Å; E1641-V1643 VanDerWaalsContact C-N 3.3Å; E1641-V1643 PolarHBondContact O-N 2.92Å; V1643-V1963 HydrophobicContact CB-CG1 4.44Å; V1643-V1963 HydrophobicContact CG1-CG1 3.92Å; V1643-E2005 HydrophobicContact CG1-CB 3.99Å; V1643-E2005 HydrophobicContact CG1-CG 3.88Å |
| 1644 | K | 86.7 | Confident | 84.7 | Confident | 174 Ų | 174 | 66.1 Ų | 66.1 | 76% | 0.757 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -18.2 | -176.5 | -64.2 | 177.8 | -176.4 | 169.5 | 0 | 113.9 | E1640 E1641 R1642 | E1640-K1644 WeakPolarHBondContact O-CD 3.45Å; E1640-K1644 WeakPolarHBondContact O-CE 3.48Å; E1640-K1644 WeakPolarHBondContact O-CG 3.19Å; E1641-K1644 PolarHBondContact O-N 3.34Å; R1642-K1644 PolarHBondContact O-N 3.3Å |
| 1645 | D | 89.5 | Confident | 85.3 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 23% | 0.23 | 30% | 0.304 | C | S | . | . | trans | -131.4 | -179.8 | -175.7 | 71.9 | 44.9 | 0 | 0 | 0 | 112.5 | R1637 E1647 R1964 | R1637-D1645 IonicContact CZ-OD1 2.69Å; R1637-D1645 IonicContact CZ-OD2 2.66Å; R1637-D1645 IonicContact NH1-OD1 2.78Å; R1637-D1645 IonicContact NH1-OD2 3.92Å; R1637-D1645 PolarHBondContact NH1-OD2 3.05Å; R1637-D1645 IonicContact NH2-OD1 3.53Å; R1637-D1645 PolarHBondContact NH2-OD1 2.92Å; R1637-D1645 IonicContact NH2-OD2 3.43Å; D1645-E1647 WeakPolarHBondContact OD1-CB 3.4Å; D1645-E1647 PolarHBondContact OD1-N 3.05Å; D1645-R1964 WeakPolarHBondContact O-CD 3.44Å; D1645-R1964 PolarHBondContact O-NE 2.85Å | ||
| 1646 | W | 87.9 | Confident | 86 | Confident | 59 Ų | 59 | 64 Ų | 64 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | trans | -119 | 17 | 177.1 | -63.9 | 94 | 0 | 0 | 0 | 112.4 | M1813 W1910 Q1914 T1961 R1964 H1965 | W1646-M1813 HydrophobicContact CE3-SD 3.59Å; W1646-M1813 VanDerWaalsContact CE3-SD 3.59Å; W1646-M1813 HydrophobicContact CZ3-CE 4.03Å; W1646-M1813 HydrophobicContact CZ3-SD 3.58Å; W1646-M1813 VanDerWaalsContact CZ3-SD 3.58Å; W1646-M1813 WeakPolarHBondContact O-CA 3.47Å; W1646-W1910 HydrophobicContact CD2-CZ2 4.4Å; W1646-W1910 AromaticContact CE2-CZ2 3.55Å; W1646-W1910 AromaticContact CE2-NE1 3.94Å; W1646-W1910 AromaticContact CE3-NE1 3.74Å; W1646-W1910 AromaticContact CH2-CD1 3.92Å; W1646-W1910 AromaticContact CH2-CE2 3.52Å; W1646-W1910 AromaticContact CH2-CZ2 3.76Å; W1646-W1910 HydrophobicContact CH2-CZ2 3.76Å; W1646-W1910 AromaticContact CH2-NE1 3.04Å; W1646-W1910 AromaticContact CZ2-CE2 3.49Å; W1646-W1910 VanDerWaalsContact CZ2-CE2 3.49Å; W1646-W1910 HydrophobicContact CZ2-CH2 4.2Å; W1646-W1910 AromaticContact CZ2-CZ2 3.18Å; W1646-W1910 HydrophobicContact CZ2-CZ2 3.18Å; W1646-W1910 AromaticContact CZ2-NE1 3.46Å; W1646-W1910 AromaticContact CZ3-CD1 3.93Å; W1646-W1910 AromaticContact CZ3-NE1 3.19Å; W1646-W1910 AromaticContact NE1-CZ2 3.93Å; W1646-Q1914 VanDerWaalsContact CE3-NE2 3.33Å; W1646-T1961 HydrophobicContact CH2-CG2 4.03Å; W1646-T1961 HydrophobicContact CZ3-CG2 4.39Å; W1646-R1964 HydrophobicContact CH2-CB 3.53Å; W1646-R1964 HydrophobicContact CH2-CG 4.27Å; W1646-R1964 HydrophobicContact CZ2-CB 3.41Å; W1646-R1964 VanDerWaalsContact CZ2-CB 3.41Å; W1646-R1964 HydrophobicContact CZ2-CG 4.27Å; W1646-R1964 HydrophobicContact CZ3-CB 4.29Å; W1646-H1965 AromaticContact CH2-CD2 3.94Å; W1646-H1965 AromaticContact CH2-NE2 3.98Å; W1646-H1965 AromaticContact CZ2-CD2 3.94Å | ||
| 1647 | E | 88.4 | Confident | 85.8 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -73.1 | 163 | 176.9 | -66.7 | -60.2 | 144.9 | 0 | 0 | 110.9 | R1637 D1645 V1649 | R1637-E1647 VanDerWaalsContact NH2-C 3.32Å; R1637-E1647 PolarHBondContact NH2-O 3.38Å; D1645-E1647 WeakPolarHBondContact OD1-CB 3.4Å; D1645-E1647 PolarHBondContact OD1-N 3.05Å; E1647-V1649 PolarHBondContact O-N 3.29Å |
| 1648 | E | 89.5 | Confident | 85.5 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | trans | -56.8 | 136 | -177.3 | -68.1 | -168.4 | 157.6 | 0 | 0 | 112.1 | R1637 Y1650 R1717 M1813 S1816 | R1637-E1648 PolarHBondContact NE-O 2.91Å; R1637-E1648 PolarHBondContact NH2-O 3.35Å; R1637-E1648 VanDerWaalsContact NH2-O 3.16Å; E1648-Y1650 PolarHBondContact O-N 2.83Å; E1648-R1717 WeakPolarHBondContact OE1-CD 3.4Å; E1648-R1717 IonicContact OE1-NE 2.8Å; E1648-R1717 PolarHBondContact OE1-NE 3.31Å; E1648-R1717 IonicContact OE2-CZ 3.95Å; E1648-R1717 IonicContact OE2-NE 3.8Å; E1648-R1717 PolarHBondContact OE2-NE 2.94Å; E1648-R1717 VanDerWaalsContact OE2-NE 3.1Å; E1648-R1717 IonicContact OE2-NH2 2.94Å; E1648-M1813 CarbonylContact C-O 3.52Å; E1648-M1813 VanDerWaalsContact CA-O 3.3Å; E1648-M1813 WeakPolarHBondContact CA-O 3.47Å; E1648-S1816 WeakPolarHBondContact OE1-CB 3.49Å; E1648-S1816 PolarHBondContact OE1-N 3.05Å | ||
| 1649 | V | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -68.4 | -18.2 | -174.6 | -68 | 0 | 0 | 0 | 0 | 114.2 | Y1636 R1637 E1647 M1813 Y2001 | Y1636-V1649 CarbonylContact C-O 3.55Å; Y1636-V1649 VanDerWaalsContact CA-O 3.29Å; Y1636-V1649 WeakPolarHBondContact CA-O 3.18Å; Y1636-V1649 HydrophobicContact CD1-CB 4.06Å; Y1636-V1649 HydrophobicContact CD1-CG2 3.89Å; Y1636-V1649 HydrophobicContact CE1-CB 4.47Å; Y1636-V1649 HydrophobicContact CE1-CG2 3.85Å; R1637-V1649 PolarHBondContact N-O 3.11Å; E1647-V1649 PolarHBondContact O-N 3.29Å; V1649-M1813 HydrophobicContact CG1-CB 4.29Å; V1649-M1813 HydrophobicContact CG1-CG 4.49Å; V1649-M1813 WeakPolarHBondContact CG1-O 3.49Å; V1649-M1813 PolarHBondContact N-O 2.93Å; V1649-Y2001 HydrophobicContact CG1-CD2 3.75Å; V1649-Y2001 HydrophobicContact CG1-CE2 4.26Å; V1649-Y2001 HydrophobicContact CG1-CG 4.24Å; V1649-Y2001 HydrophobicContact CG2-CG 4.5Å |
| 1650 | Y | 87 | Confident | 85.5 | Confident | 22 Ų | 22 | 66.6 Ų | 66.6 | 9% | 0.086 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 139.9 | -176.4 | -67.7 | -69.5 | 0 | 0 | 0 | 112.6 | Y1636 E1648 L1652 K1739 H1740 | Y1636-Y1650 AromaticContact CD1-CD1 3.84Å; Y1636-Y1650 HydrophobicContact CD1-CD1 3.84Å; Y1636-Y1650 AromaticContact CD1-CE1 3.84Å; Y1636-Y1650 HydrophobicContact CD1-CE1 3.84Å; Y1636-Y1650 AromaticContact CE1-CD1 3.79Å; Y1636-Y1650 HydrophobicContact CE1-CD1 3.79Å; Y1636-Y1650 AromaticContact CE1-CE1 3.3Å; Y1636-Y1650 HydrophobicContact CE1-CE1 3.3Å; Y1636-Y1650 AromaticContact CE1-CZ 3.74Å; E1648-Y1650 PolarHBondContact O-N 2.83Å; Y1650-L1652 VanDerWaalsContact C-N 3.29Å; Y1650-L1652 PolarHBondContact O-N 3.45Å; Y1650-K1739 PolarHBondContact OH-NZ 3.12Å; Y1650-H1740 AromaticContact CD1-NE2 3.89Å; Y1650-H1740 AromaticContact CE1-NE2 3.96Å |
| 1651 | A | 84.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | trans | -80.9 | 68.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1635 R1637 K1653 Q1654 I1655 | N1635-A1651 HydrophobicContact CB-CB 4.2Å; N1635-A1651 WeakPolarHBondContact O-CB 3.37Å; N1635-A1651 PolarHBondContact O-N 3.37Å; R1637-A1651 HydrophobicContact CG-CB 4.24Å; A1651-K1653 VanDerWaalsContact C-N 3.31Å; A1651-K1653 PolarHBondContact O-N 2.88Å; A1651-K1653 VanDerWaalsContact O-N 3.15Å; A1651-Q1654 PolarHBondContact O-N 2.9Å; A1651-Q1654 VanDerWaalsContact O-N 3.14Å; A1651-I1655 WeakPolarHBondContact O-CG1 3.37Å; A1651-I1655 PolarHBondContact O-N 3.39Å | ||
| 1652 | L | 79.9 | Confident | 85.7 | Confident | 52 Ų | 52 | 61.2 Ų | 61.2 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -53.3 | -38.7 | -169.8 | -67.3 | 176.4 | 0 | 0 | 0 | 114.5 | Y1650 I1655 R1656 | Y1650-L1652 VanDerWaalsContact C-N 3.29Å; Y1650-L1652 PolarHBondContact O-N 3.45Å; L1652-I1655 PolarHBondContact O-N 3.26Å; L1652-R1656 WeakPolarHBondContact O-CG 3.5Å; L1652-R1656 PolarHBondContact O-N 3.24Å; L1652-R1656 VanDerWaalsContact O-N 3.15Å |
| 1653 | K | 78.7 | Confident | 85.7 | Confident | 184 Ų | 184 | 60.9 Ų | 60.9 | 80% | 0.8 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 178.7 | -82.3 | -174 | 177.1 | 179.5 | 0 | 112.7 | A1651 R1656 | A1651-K1653 VanDerWaalsContact C-N 3.31Å; A1651-K1653 PolarHBondContact O-N 2.88Å; A1651-K1653 VanDerWaalsContact O-N 3.15Å; K1653-R1656 PolarHBondContact O-N 2.86Å |
| 1654 | Q | 79.3 | Confident | 85.9 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68 | -38.5 | 179.7 | -73.3 | 166.8 | -10.4 | 0 | 0 | 111.3 | A1651 R1656 Q1657 | A1651-Q1654 PolarHBondContact O-N 2.9Å; A1651-Q1654 VanDerWaalsContact O-N 3.14Å; Q1654-R1656 VanDerWaalsContact C-N 3.29Å; Q1654-R1656 PolarHBondContact O-N 3.2Å; Q1654-Q1657 PolarHBondContact O-N 3.16Å |
| 1655 | I | 79.5 | Confident | 86.2 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 178.3 | -68.3 | 166 | 0 | 0 | 0 | 111 | A1651 L1652 Q1657 L1659 H1740 | A1651-I1655 WeakPolarHBondContact O-CG1 3.37Å; A1651-I1655 PolarHBondContact O-N 3.39Å; L1652-I1655 PolarHBondContact O-N 3.26Å; I1655-Q1657 PolarHBondContact O-N 2.93Å; I1655-L1659 HydrophobicContact CG2-CD2 4.28Å; I1655-L1659 WeakPolarHBondContact O-CG 3.4Å; I1655-H1740 HydrophobicContact CG2-CB 3.69Å |
| 1656 | R | 83.7 | Confident | 86.3 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.7 | -29.1 | -176.5 | -72.8 | -179.6 | -178.3 | -169.8 | 6.2 | 114.6 | L1652 K1653 Q1654 G1658 L1659 T1744 D1747 E1751 | L1652-R1656 WeakPolarHBondContact O-CG 3.5Å; L1652-R1656 PolarHBondContact O-N 3.24Å; L1652-R1656 VanDerWaalsContact O-N 3.15Å; K1653-R1656 PolarHBondContact O-N 2.86Å; Q1654-R1656 VanDerWaalsContact C-N 3.29Å; Q1654-R1656 PolarHBondContact O-N 3.2Å; R1656-G1658 PolarHBondContact O-N 3.37Å; R1656-L1659 HydrophobicContact CG-CD1 4.45Å; R1656-T1744 HydrophobicContact CG-CG2 3.88Å; R1656-D1747 IonicContact NH2-OD2 3.25Å; R1656-D1747 PolarHBondContact NH2-OD2 3.34Å; R1656-E1751 IonicContact CZ-OE1 2.77Å; R1656-E1751 VanDerWaalsContact CZ-OE1 3.25Å; R1656-E1751 VanDerWaalsContact NH1-CD 3.32Å; R1656-E1751 IonicContact NH1-OE1 3.59Å; R1656-E1751 PolarHBondContact NH1-OE1 3.45Å; R1656-E1751 IonicContact NH1-OE2 3.53Å; R1656-E1751 PolarHBondContact NH1-OE2 2.93Å; R1656-E1751 VanDerWaalsContact NH1-OE2 3.11Å; R1656-E1751 IonicContact NH2-OE1 3.55Å; R1656-E1751 PolarHBondContact NH2-OE1 2.82Å |
| 1657 | Q | 80.2 | Confident | 86.3 | Confident | 173 Ų | 173 | 46.9 Ų | 46.9 | 81% | 0.808 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.4 | -173.2 | -72.6 | 177.6 | -13.4 | 0 | 0 | 114.4 | Q1654 I1655 | Q1654-Q1657 PolarHBondContact O-N 3.16Å; I1655-Q1657 PolarHBondContact O-N 2.93Å |
| 1658 | G | 80.8 | Confident | 86.2 | Confident | 12 Ų | 12 | 43.4 Ų | 43.4 | 12% | 0.124 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 3.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | R1656 V1660 K1661 Q1662 | R1656-G1658 PolarHBondContact O-N 3.37Å; G1658-V1660 PolarHBondContact O-N 3.33Å; G1658-K1661 PolarHBondContact O-N 3.15Å; G1658-Q1662 WeakPolarHBondContact O-CG 3.23Å; G1658-Q1662 PolarHBondContact O-N 2.81Å |
| 1659 | L | 87.4 | Confident | 86.2 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.5 | -33.2 | -164.1 | -67.8 | 174.9 | 0 | 0 | 0 | 114.8 | I1655 R1656 K1661 Q1662 A1663 W1698 H1740 I1741 T1744 | I1655-L1659 HydrophobicContact CG2-CD2 4.28Å; I1655-L1659 WeakPolarHBondContact O-CG 3.4Å; R1656-L1659 HydrophobicContact CG-CD1 4.45Å; L1659-K1661 VanDerWaalsContact C-N 3.33Å; L1659-K1661 PolarHBondContact O-N 3.32Å; L1659-Q1662 CarbonylContact O-C 3.49Å; L1659-Q1662 PolarHBondContact O-N 2.86Å; L1659-A1663 WeakPolarHBondContact O-CB 3.45Å; L1659-A1663 PolarHBondContact O-N 3.07Å; L1659-W1698 HydrophobicContact CB-CH2 4.34Å; L1659-W1698 HydrophobicContact CD1-CH2 4.48Å; L1659-H1740 HydrophobicContact CD2-CB 4.35Å; L1659-I1741 HydrophobicContact CD2-CG1 3.89Å; L1659-T1744 HydrophobicContact CD1-CG2 3.64Å; L1659-T1744 WeakPolarHBondContact CD1-OG1 3.42Å |
| 1660 | V | 87.5 | Confident | 86.1 | Confident | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.297 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -44 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | L1620 G1658 A1663 A1664 F1694 W1698 | L1620-V1660 HydrophobicContact CD1-CG1 3.95Å; G1658-V1660 PolarHBondContact O-N 3.33Å; V1660-A1663 PolarHBondContact O-N 2.89Å; V1660-A1664 PolarHBondContact O-N 3.37Å; V1660-F1694 WeakPolarHBondContact CG1-O 3.49Å; V1660-W1698 HydrophobicContact CG2-CZ2 4.25Å |
| 1661 | K | 89.3 | Confident | 86.4 | Confident | 94 Ų | 94 | 41.9 Ų | 41.9 | 41% | 0.409 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.1 | -38.5 | 173.9 | -175.8 | 174.2 | -176.1 | 171.6 | 0 | 112.1 | L1620 Y1629 G1658 L1659 A1664 | L1620-K1661 HydrophobicContact CD1-CB 4.32Å; L1620-K1661 HydrophobicContact CD2-CB 4.26Å; L1620-K1661 HydrophobicContact CD2-CD 4.38Å; L1620-K1661 HydrophobicContact CD2-CG 4.02Å; Y1629-K1661 HydrophobicContact CD1-CD 4.35Å; Y1629-K1661 HydrophobicContact CD1-CG 4.25Å; Y1629-K1661 HydrophobicContact CD2-CG 4.1Å; Y1629-K1661 HydrophobicContact CG-CD 4.48Å; Y1629-K1661 HydrophobicContact CG-CG 3.95Å; G1658-K1661 PolarHBondContact O-N 3.15Å; L1659-K1661 VanDerWaalsContact C-N 3.33Å; L1659-K1661 PolarHBondContact O-N 3.32Å; K1661-A1664 WeakPolarHBondContact O-CB 3.41Å; K1661-A1664 PolarHBondContact O-N 3.07Å |
| 1662 | Q | 90.7 | Very high | 86.7 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.9 | -34 | 175.2 | -66.4 | -58 | -56.9 | 0 | 0 | 112.6 | A1630 Q1632 G1658 L1659 A1664 R1665 T1737 | A1630-Q1662 PolarHBondContact O-NE2 3.01Å; A1630-Q1662 VanDerWaalsContact O-NE2 3.07Å; Q1632-Q1662 HydrophobicContact CB-CG 4.41Å; G1658-Q1662 WeakPolarHBondContact O-CG 3.23Å; G1658-Q1662 PolarHBondContact O-N 2.81Å; L1659-Q1662 CarbonylContact O-C 3.49Å; L1659-Q1662 PolarHBondContact O-N 2.86Å; Q1662-A1664 VanDerWaalsContact C-N 3.28Å; Q1662-A1664 PolarHBondContact O-N 3.22Å; Q1662-R1665 VanDerWaalsContact O-CB 3.27Å; Q1662-R1665 WeakPolarHBondContact O-CB 3.45Å; Q1662-R1665 PolarHBondContact O-N 2.82Å; Q1662-R1665 VanDerWaalsContact O-N 3.09Å; Q1662-R1665 VanDerWaalsContact OE1-CD 3.29Å; Q1662-T1737 WeakPolarHBondContact CB-OG1 2.96Å |
| 1663 | A | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -30 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1622 L1659 V1660 R1665 C1666 V1693 F1694 I1741 | K1622-A1663 PolarHBondContact NZ-O 2.76Å; L1659-A1663 WeakPolarHBondContact O-CB 3.45Å; L1659-A1663 PolarHBondContact O-N 3.07Å; V1660-A1663 PolarHBondContact O-N 2.89Å; A1663-R1665 PolarHBondContact O-N 3.43Å; A1663-C1666 WeakPolarHBondContact O-CB 3.46Å; A1663-C1666 PolarHBondContact O-N 2.65Å; A1663-C1666 VanDerWaalsContact O-N 3.11Å; A1663-V1693 HydrophobicContact CB-CB 4.32Å; A1663-V1693 HydrophobicContact CB-CG1 3.93Å; A1663-F1694 HydrophobicContact CB-CB 4.09Å; A1663-I1741 HydrophobicContact CB-CD1 4.17Å |
| 1664 | A | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y1629 V1660 K1661 Q1662 C1666 F1694 | Y1629-A1664 HydrophobicContact CD2-CB 4.08Å; Y1629-A1664 HydrophobicContact CE2-CB 4Å; V1660-A1664 PolarHBondContact O-N 3.37Å; K1661-A1664 WeakPolarHBondContact O-CB 3.41Å; K1661-A1664 PolarHBondContact O-N 3.07Å; Q1662-A1664 VanDerWaalsContact C-N 3.28Å; Q1662-A1664 PolarHBondContact O-N 3.22Å; A1664-C1666 VanDerWaalsContact C-N 3.27Å; A1664-C1666 PolarHBondContact O-N 3.09Å; A1664-F1694 HydrophobicContact CB-CD2 3.65Å; A1664-F1694 HydrophobicContact CB-CE2 3.74Å |
| 1665 | R | 93.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -19.8 | 176.2 | -56.5 | 177.6 | 69.8 | -121.8 | -10 | 112.7 | F1626 Y1629 Q1662 A1663 M1667 L1729 D1734 P1735 V1736 | F1626-R1665 WeakPolarHBondContact CB-O 3.43Å; Y1629-R1665 WeakPolarHBondContact O-CD 3.33Å; Y1629-R1665 PolarHBondContact O-NE 2.69Å; Q1662-R1665 VanDerWaalsContact O-CB 3.27Å; Q1662-R1665 WeakPolarHBondContact O-CB 3.45Å; Q1662-R1665 PolarHBondContact O-N 2.82Å; Q1662-R1665 VanDerWaalsContact O-N 3.09Å; Q1662-R1665 VanDerWaalsContact OE1-CD 3.29Å; A1663-R1665 PolarHBondContact O-N 3.43Å; R1665-M1667 PolarHBondContact O-N 2.97Å; R1665-L1729 VanDerWaalsContact O-CD1 3.28Å; R1665-L1729 WeakPolarHBondContact O-CD1 3.43Å; R1665-D1734 PolarHBondContact NH2-O 2.86Å; R1665-P1735 PolarHBondContact NH1-O 3.09Å; R1665-V1736 HydrophobicContact CB-CG2 4.45Å |
| 1666 | C | 91.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 24.3 Ų | 24.3 | 8% | 0.081 | 12% | 0.121 | C | C | . | . | trans | -65.5 | 124.8 | 175.7 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | K1622 A1663 A1664 D1668 N1690 V1736 | K1622-C1666 PolarHBondContact NZ-O 2.75Å; A1663-C1666 WeakPolarHBondContact O-CB 3.46Å; A1663-C1666 PolarHBondContact O-N 2.65Å; A1663-C1666 VanDerWaalsContact O-N 3.11Å; A1664-C1666 VanDerWaalsContact C-N 3.27Å; A1664-C1666 PolarHBondContact O-N 3.09Å; C1666-D1668 VanDerWaalsContact C-N 3.27Å; C1666-D1668 PolarHBondContact O-N 2.89Å; C1666-D1668 PolarHBondContact SG-N 3.25Å; C1666-N1690 HydrophobicContact CB-CB 4.18Å; C1666-V1736 HydrophobicContact CB-CG1 4.4Å; C1666-V1736 HydrophobicContact CB-CG2 4.08Å | ||
| 1667 | M | 88.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 26.4 Ų | 26.4 | 6% | 0.059 | 13% | 0.13 | C | C | . | . | trans | -76.5 | -12.4 | -179.5 | -71.2 | -171 | -57 | 0 | 0 | 114 | M1176 K1178 P1185 F1626 R1665 V1728 L1729 | M1176-M1667 HydrophobicContact CE-CB 3.62Å; M1176-M1667 HydrophobicContact CE-CG 4.04Å; M1176-M1667 HydrophobicContact CE-SD 4.02Å; M1176-M1667 HydrophobicContact SD-CB 4.09Å; M1176-M1667 HydrophobicContact SD-CE 4.23Å; M1176-M1667 HydrophobicContact SD-CG 4.45Å; M1176-M1667 HydrophobicContact SD-SD 3.79Å; K1178-M1667 PolarHBondContact NZ-O 3.44Å; P1185-M1667 HydrophobicContact CB-CE 4.04Å; P1185-M1667 HydrophobicContact CB-SD 3.63Å; P1185-M1667 HydrophobicContact CG-CE 3.88Å; P1185-M1667 HydrophobicContact CG-SD 3.79Å; F1626-M1667 HydrophobicContact CB-CG 4.38Å; F1626-M1667 HydrophobicContact CD1-CG 3.63Å; F1626-M1667 HydrophobicContact CD1-SD 4.2Å; F1626-M1667 HydrophobicContact CD2-SD 4.28Å; F1626-M1667 HydrophobicContact CE1-CG 3.98Å; F1626-M1667 HydrophobicContact CE1-SD 4.18Å; F1626-M1667 HydrophobicContact CE2-SD 4.24Å; F1626-M1667 HydrophobicContact CG-CG 3.97Å; F1626-M1667 HydrophobicContact CG-SD 4.25Å; F1626-M1667 HydrophobicContact CZ-SD 4.19Å; R1665-M1667 PolarHBondContact O-N 2.97Å; M1667-V1728 HydrophobicContact CE-CB 3.64Å; M1667-V1728 HydrophobicContact CE-CG1 3.56Å; M1667-L1729 HydrophobicContact CE-CD2 3.69Å; M1667-L1729 HydrophobicContact CE-CG 3.63Å; M1667-L1729 HydrophobicContact CG-CD1 4.41Å; M1667-L1729 HydrophobicContact CG-CD2 4.04Å; M1667-L1729 HydrophobicContact CG-CG 4.17Å; M1667-L1729 HydrophobicContact SD-CD2 3.43Å; M1667-L1729 WeakPolarHBondContact SD-CD2 2.92Å; M1667-L1729 HydrophobicContact SD-CG 3.94Å | ||
| 1668 | D | 86.2 | Confident | 88.3 | Confident | 37 Ų | 37 | 21.3 Ų | 21.3 | 20% | 0.198 | 11% | 0.111 | C | C | . | . | trans | 51.6 | 67.6 | -175 | 169.9 | 51.5 | 0 | 0 | 0 | 111.1 | K1178 C1666 | K1178-D1668 WeakPolarHBondContact CE-O 3.31Å; K1178-D1668 VanDerWaalsContact NZ-CB 3.28Å; K1178-D1668 PolarHBondContact NZ-O 3.13Å; K1178-D1668 IonicContact NZ-OD2 2.86Å; K1178-D1668 PolarHBondContact NZ-OD2 2.93Å; C1666-D1668 VanDerWaalsContact C-N 3.27Å; C1666-D1668 PolarHBondContact O-N 2.89Å; C1666-D1668 PolarHBondContact SG-N 3.25Å | ||
| 1669 | C | 90.2 | Very high | 88.7 | Confident | 14 Ų | 14 | 20.8 Ų | 20.8 | 10% | 0.095 | 11% | 0.105 | C | C | . | . | trans | -71.6 | 138.7 | -172.3 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | M1176 V1671 P1672 | M1176-C1669 HydrophobicContact CG-CB 4.48Å; C1669-V1671 PolarHBondContact O-N 3.42Å; C1669-P1672 WeakPolarHBondContact O-CD 3.13Å | ||
| 1670 | G | 88.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -60.8 | -29.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H854 W855 M1176 | H854-G1670 WeakPolarHBondContact CB-O 3.44Å; W855-G1670 PolarHBondContact N-O 2.89Å; M1176-G1670 PolarHBondContact O-N 3.4Å |
| 1671 | V | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -120.3 | 90.4 | 168.2 | -179 | 0 | 0 | 0 | 0 | 108.6 | W855 P866 I869 M1175 C1669 F1673 | W855-V1671 HydrophobicContact CB-CG2 4.15Å; P866-V1671 HydrophobicContact CB-CG1 4.31Å; P866-V1671 HydrophobicContact CG-CG1 3.59Å; I869-V1671 HydrophobicContact CD1-CB 4.43Å; I869-V1671 HydrophobicContact CD1-CG1 4.02Å; I869-V1671 HydrophobicContact CD1-CG2 4.49Å; M1175-V1671 HydrophobicContact CB-CB 3.94Å; M1175-V1671 HydrophobicContact CB-CG2 3.45Å; M1175-V1671 VanDerWaalsContact CB-CG2 3.45Å; M1175-V1671 HydrophobicContact CG-CG2 4.45Å; M1175-V1671 PolarHBondContact O-N 3.25Å; M1175-V1671 VanDerWaalsContact O-N 3.13Å; C1669-V1671 PolarHBondContact O-N 3.42Å; V1671-F1673 HydrophobicContact CB-CE2 4.46Å; V1671-F1673 HydrophobicContact CG1-CD2 4.47Å; V1671-F1673 HydrophobicContact CG1-CE2 4.03Å; V1671-F1673 VanDerWaalsContact O-CD2 3.23Å; V1671-F1673 WeakPolarHBondContact O-CD2 3.45Å; V1671-F1673 PolarHBondContact O-N 3.45Å; V1671-F1673 VanDerWaalsContact O-N 3.09Å |
| 1672 | P | 90.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 14.4 Ų | 14.4 | 1% | 0.013 | 7% | 0.074 | C | C | . | . | trans | -77.4 | 94.6 | -175.9 | 29.6 | -35.3 | 0 | 0 | 0 | 112.1 | W855 C1669 C1674 Q1675 S1676 P1687 | W855-P1672 HydrophobicContact CE3-CG 4.43Å; W855-P1672 WeakPolarHBondContact O-CD 3.31Å; C1669-P1672 WeakPolarHBondContact O-CD 3.13Å; P1672-C1674 PolarHBondContact O-N 3.38Å; P1672-C1674 VanDerWaalsContact O-N 3.15Å; P1672-Q1675 HydrophobicContact CB-CB 4.12Å; P1672-Q1675 HydrophobicContact CG-CB 4.01Å; P1672-Q1675 WeakPolarHBondContact O-CB 2.79Å; P1672-Q1675 PolarHBondContact O-N 3.46Å; P1672-S1676 PolarHBondContact O-N 3.43Å; P1672-P1687 HydrophobicContact CB-CG 3.75Å; P1672-P1687 HydrophobicContact CG-CG 4.32Å | ||
| 1673 | F | 92.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -56.1 | -29.8 | 173.9 | -72.9 | -99.9 | 0 | 0 | 0 | 113.3 | P866 I869 V1671 Q1675 S1676 A1726 V1728 W1990 P1991 | P866-F1673 HydrophobicContact CB-CD1 3.72Å; P866-F1673 HydrophobicContact CB-CE1 3.77Å; P866-F1673 HydrophobicContact CB-CG 4.24Å; P866-F1673 HydrophobicContact CB-CZ 4.29Å; P866-F1673 VanDerWaalsContact O-CE1 3.25Å; P866-F1673 WeakPolarHBondContact O-CE1 3.34Å; I869-F1673 HydrophobicContact CB-CE1 4.43Å; I869-F1673 HydrophobicContact CB-CZ 3.85Å; I869-F1673 HydrophobicContact CD1-CE2 4.28Å; I869-F1673 HydrophobicContact CD1-CZ 3.87Å; I869-F1673 HydrophobicContact CG1-CZ 4.49Å; I869-F1673 HydrophobicContact CG2-CE1 4.43Å; I869-F1673 HydrophobicContact CG2-CZ 3.7Å; V1671-F1673 HydrophobicContact CB-CE2 4.46Å; V1671-F1673 HydrophobicContact CG1-CD2 4.47Å; V1671-F1673 HydrophobicContact CG1-CE2 4.03Å; V1671-F1673 VanDerWaalsContact O-CD2 3.23Å; V1671-F1673 WeakPolarHBondContact O-CD2 3.45Å; V1671-F1673 PolarHBondContact O-N 3.45Å; V1671-F1673 VanDerWaalsContact O-N 3.09Å; F1673-Q1675 PolarHBondContact O-N 2.92Å; F1673-S1676 WeakPolarHBondContact O-CB 3.4Å; F1673-S1676 PolarHBondContact O-N 3.27Å; F1673-S1676 VanDerWaalsContact O-N 3.16Å; F1673-S1676 PolarHBondContact O-OG 2.64Å; F1673-A1726 HydrophobicContact CB-CB 4.47Å; F1673-A1726 WeakPolarHBondContact CB-O 3.42Å; F1673-V1728 HydrophobicContact CD2-CG2 3.67Å; F1673-V1728 HydrophobicContact CE2-CG2 4.36Å; F1673-V1728 HydrophobicContact CG-CG2 4.41Å; F1673-W1990 HydrophobicContact CB-CH2 4.3Å; F1673-W1990 HydrophobicContact CB-CZ2 3.98Å; F1673-W1990 AromaticContact CD1-CH2 3.38Å; F1673-W1990 HydrophobicContact CD1-CH2 3.38Å; F1673-W1990 AromaticContact CD1-CZ2 3.8Å; F1673-W1990 HydrophobicContact CD1-CZ2 3.8Å; F1673-W1990 AromaticContact CD1-CZ3 4Å; F1673-W1990 HydrophobicContact CD1-CZ3 4Å; F1673-W1990 AromaticContact CD2-CH2 3.54Å; F1673-W1990 HydrophobicContact CD2-CH2 3.54Å; F1673-W1990 AromaticContact CD2-CZ2 3.97Å; F1673-W1990 HydrophobicContact CD2-CZ2 3.97Å; F1673-W1990 AromaticContact CE1-CH2 3.39Å; F1673-W1990 HydrophobicContact CE1-CH2 3.39Å; F1673-W1990 HydrophobicContact CE1-CZ2 4.27Å; F1673-W1990 AromaticContact CE1-CZ3 3.65Å; F1673-W1990 HydrophobicContact CE1-CZ3 3.65Å; F1673-W1990 AromaticContact CE2-CH2 3.58Å; F1673-W1990 HydrophobicContact CE2-CH2 3.58Å; F1673-W1990 HydrophobicContact CE2-CZ2 4.46Å; F1673-W1990 HydrophobicContact CE2-CZ3 4.37Å; F1673-W1990 AromaticContact CG-CH2 3.45Å; F1673-W1990 HydrophobicContact CG-CH2 3.45Å; F1673-W1990 VanDerWaalsContact CG-CH2 3.45Å; F1673-W1990 AromaticContact CG-CZ2 3.64Å; F1673-W1990 HydrophobicContact CG-CZ2 3.64Å; F1673-W1990 HydrophobicContact CG-CZ3 4.48Å; F1673-W1990 AromaticContact CZ-CH2 3.5Å; F1673-W1990 HydrophobicContact CZ-CH2 3.5Å; F1673-W1990 AromaticContact CZ-CZ3 3.87Å; F1673-W1990 HydrophobicContact CZ-CZ3 3.87Å; F1673-P1991 HydrophobicContact CD1-CB 3.91Å; F1673-P1991 HydrophobicContact CD1-CG 3.92Å; F1673-P1991 HydrophobicContact CE1-CG 4.36Å |
| 1674 | C | 92 | Very high | 88.5 | Confident | 12 Ų | 12 | 14.4 Ų | 14.4 | 8% | 0.081 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -64.7 | -25.6 | 174.8 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | P1672 G1679 C1680 I1686 C1723 I1738 | P1672-C1674 PolarHBondContact O-N 3.38Å; P1672-C1674 VanDerWaalsContact O-N 3.15Å; C1674-G1679 CarbonylContact O-C 3.15Å; C1674-C1680 WeakPolarHBondContact O-CB 3.11Å; C1674-C1680 PolarHBondContact O-N 2.72Å; C1674-I1686 HydrophobicContact CB-CD1 3.89Å; C1674-I1686 VanDerWaalsContact O-CD1 3.27Å; C1674-I1686 WeakPolarHBondContact O-CD1 3.42Å; C1674-C1723 HydrophobicContact CB-CB 4.22Å; C1674-C1723 WeakPolarHBondContact CB-O 3.4Å; C1674-I1738 HydrophobicContact CB-CD1 4.05Å |
| 1675 | Q | 89 | Confident | 88.3 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -88.8 | -15.9 | 175.8 | -177.7 | 178.6 | -1.5 | 0 | 0 | 112.1 | L857 P1672 F1673 G1683 N1684 | L857-Q1675 HydrophobicContact CB-CG 4.21Å; P1672-Q1675 HydrophobicContact CB-CB 4.12Å; P1672-Q1675 HydrophobicContact CG-CB 4.01Å; P1672-Q1675 WeakPolarHBondContact O-CB 2.79Å; P1672-Q1675 PolarHBondContact O-N 3.46Å; F1673-Q1675 PolarHBondContact O-N 2.92Å; Q1675-G1683 WeakPolarHBondContact O-CA 3.37Å; Q1675-N1684 WeakPolarHBondContact CG-O 3.5Å |
| 1676 | S | 86.4 | Confident | 88.2 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 4% | 0.035 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -68.1 | 164.9 | 179.9 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | P1672 F1673 V1678 G1679 C1680 | P1672-S1676 PolarHBondContact O-N 3.43Å; F1673-S1676 WeakPolarHBondContact O-CB 3.4Å; F1673-S1676 PolarHBondContact O-N 3.27Å; F1673-S1676 VanDerWaalsContact O-N 3.16Å; F1673-S1676 PolarHBondContact O-OG 2.64Å; S1676-V1678 PolarHBondContact O-N 3.46Å; S1676-V1678 WeakPolarHBondContact OG-CG2 3.32Å; S1676-G1679 CarbonylContact O-C 3.48Å; S1676-G1679 WeakPolarHBondContact O-CA 3.22Å; S1676-G1679 PolarHBondContact O-N 3.24Å; S1676-G1679 PolarHBondContact OG-N 2.97Å; S1676-C1680 CarbonylContact O-C 3.46Å; S1676-C1680 PolarHBondContact O-N 2.93Å |
| 1677 | Y | 78 | Confident | 87.9 | Confident | 119 Ų | 119 | 14.2 Ų | 14.2 | 47% | 0.467 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.2 | 178.1 | 174.7 | -101.2 | 0 | 0 | 0 | 113.7 | G1679 R2117 | Y1677-G1679 VanDerWaalsContact C-N 3.34Å; Y1677-R2117 PolarHBondContact OH-NH1 3.24Å; Y1677-R2117 PolarHBondContact OH-NH2 2.79Å |
| 1678 | V | 77.6 | Confident | 87.6 | Confident | 67 Ų | 67 | 15.3 Ų | 15.3 | 41% | 0.406 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.5 | 173.8 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | S1676 P1991 | S1676-V1678 PolarHBondContact O-N 3.46Å; S1676-V1678 WeakPolarHBondContact OG-CG2 3.32Å; V1678-P1991 HydrophobicContact CB-CG 4.48Å; V1678-P1991 HydrophobicContact CG2-CB 4.28Å; V1678-P1991 HydrophobicContact CG2-CG 3.64Å |
| 1679 | G | 88 | Confident | 87.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -80.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C1674 S1676 Y1677 P1722 C1723 A1726 | C1674-G1679 CarbonylContact O-C 3.15Å; S1676-G1679 CarbonylContact O-C 3.48Å; S1676-G1679 WeakPolarHBondContact O-CA 3.22Å; S1676-G1679 PolarHBondContact O-N 3.24Å; S1676-G1679 PolarHBondContact OG-N 2.97Å; Y1677-G1679 VanDerWaalsContact C-N 3.34Å; G1679-P1722 CarbonylContact O-C 3.59Å; G1679-P1722 WeakPolarHBondContact O-CB 3.33Å; G1679-P1722 WeakPolarHBondContact O-CG 3.48Å; G1679-C1723 WeakPolarHBondContact O-CA 3.4Å; G1679-C1723 PolarHBondContact O-N 2.91Å; G1679-A1726 VanDerWaalsContact CA-CB 3.46Å |
| 1680 | C | 91.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 12.9 Ų | 12.9 | 4% | 0.041 | 7% | 0.065 | C | C | . | . | trans | -110.1 | 113 | 177.5 | -176 | 0 | 0 | 0 | 0 | 108.9 | C1674 S1676 L1682 G1683 I1686 C1723 | C1674-C1680 WeakPolarHBondContact O-CB 3.11Å; C1674-C1680 PolarHBondContact O-N 2.72Å; S1676-C1680 CarbonylContact O-C 3.46Å; S1676-C1680 PolarHBondContact O-N 2.93Å; C1680-L1682 PolarHBondContact O-N 3.25Å; C1680-L1682 VanDerWaalsContact O-N 3.11Å; C1680-G1683 WeakPolarHBondContact O-CA 3.42Å; C1680-G1683 PolarHBondContact O-N 3.42Å; C1680-I1686 HydrophobicContact CB-CD1 4.12Å; C1680-C1723 HydrophobicContact CB-CB 4.16Å | ||
| 1681 | P | 87.4 | Confident | 87.5 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 3% | 0.032 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24 | 179.5 | -30.6 | 39.4 | 0 | 0 | 0 | 115.1 | G1683 V2123 H2124 N2127 | P1681-G1683 VanDerWaalsContact C-N 3.34Å; P1681-V2123 HydrophobicContact CB-CG1 4.37Å; P1681-V2123 HydrophobicContact CB-CG2 4.28Å; P1681-V2123 HydrophobicContact CG-CG1 3.83Å; P1681-V2123 HydrophobicContact CG-CG2 4.39Å; P1681-H2124 WeakPolarHBondContact CB-ND1 3.4Å; P1681-H2124 WeakPolarHBondContact CG-CE1 3.38Å; P1681-H2124 WeakPolarHBondContact CG-NE2 3.14Å; P1681-N2127 PolarHBondContact O-ND2 3.25Å; P1681-N2127 PolarHBondContact O-OD1 3.46Å |
| 1682 | L | 88.2 | Confident | 87 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -17.2 | 173.1 | -70.7 | 168.4 | 0 | 0 | 0 | 113.3 | C1680 N1709 V2123 I2126 N2127 | C1680-L1682 PolarHBondContact O-N 3.25Å; C1680-L1682 VanDerWaalsContact O-N 3.11Å; L1682-N1709 HydrophobicContact CD1-CB 3.91Å; L1682-N1709 VanDerWaalsContact CD1-CG 3.47Å; L1682-V2123 HydrophobicContact CB-CG2 4.46Å; L1682-V2123 HydrophobicContact CD1-CG2 3.69Å; L1682-V2123 HydrophobicContact CG-CG2 3.7Å; L1682-I2126 HydrophobicContact CD1-CG2 4.28Å; L1682-I2126 HydrophobicContact CD2-CB 4.13Å; L1682-I2126 HydrophobicContact CD2-CG2 3.67Å; L1682-N2127 HydrophobicContact CD2-CB 3.77Å; L1682-N2127 HydrophobicContact CG-CB 4.44Å |
| 1683 | G | 87.2 | Confident | 87 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | trans | 70.4 | 35.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q1675 C1680 P1681 L1685 G2150 | Q1675-G1683 WeakPolarHBondContact O-CA 3.37Å; C1680-G1683 WeakPolarHBondContact O-CA 3.42Å; C1680-G1683 PolarHBondContact O-N 3.42Å; P1681-G1683 VanDerWaalsContact C-N 3.34Å; G1683-L1685 PolarHBondContact O-N 3.46Å; G1683-G2150 WeakPolarHBondContact O-CA 3.15Å | ||
| 1684 | N | 89.1 | Confident | 86.7 | Confident | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | trans | -51.3 | 138.9 | -179.6 | -74.3 | -11.1 | 0 | 0 | 0 | 112 | Q1675 I1686 T1708 E1742 | Q1675-N1684 WeakPolarHBondContact CG-O 3.5Å; N1684-I1686 HydrophobicContact CB-CD1 4.34Å; N1684-I1686 HydrophobicContact CB-CG1 3.92Å; N1684-I1686 WeakPolarHBondContact O-CG1 3.35Å; N1684-I1686 PolarHBondContact O-N 2.85Å; N1684-T1708 WeakPolarHBondContact CA-OG1 3.49Å; N1684-T1708 WeakPolarHBondContact OD1-CB 3.13Å; N1684-T1708 PolarHBondContact OD1-OG1 3.44Å; N1684-E1742 PolarHBondContact ND2-OE1 3.04Å | ||
| 1685 | L | 85 | Confident | 86 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 4% | 0.042 | 11% | 0.113 | C | C | . | . | trans | -72.5 | 52.3 | 179.7 | -59.7 | -179.2 | 0 | 0 | 0 | 112.7 | G1683 N1688 W1689 Q1707 T1708 G2150 | G1683-L1685 PolarHBondContact O-N 3.46Å; L1685-N1688 HydrophobicContact CB-CB 4.21Å; L1685-N1688 WeakPolarHBondContact O-CB 3.34Å; L1685-N1688 PolarHBondContact O-N 3.2Å; L1685-W1689 VanDerWaalsContact C-CD1 3.48Å; L1685-W1689 PolarHBondContact O-N 3.27Å; L1685-W1689 PolarHBondContact O-NE1 3.43Å; L1685-Q1707 VanDerWaalsContact CD1-OE1 3.31Å; L1685-T1708 HydrophobicContact CG-CG2 4.09Å; L1685-G2150 WeakPolarHBondContact CD2-O 3.38Å | ||
| 1686 | I | 91 | Very high | 85.7 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.7 | -45.9 | -167.8 | -66.5 | 157 | 0 | 0 | 0 | 113.6 | C1674 C1680 N1684 N1688 W1689 N1690 C1723 I1738 | C1674-I1686 HydrophobicContact CB-CD1 3.89Å; C1674-I1686 VanDerWaalsContact O-CD1 3.27Å; C1674-I1686 WeakPolarHBondContact O-CD1 3.42Å; C1680-I1686 HydrophobicContact CB-CD1 4.12Å; N1684-I1686 HydrophobicContact CB-CD1 4.34Å; N1684-I1686 HydrophobicContact CB-CG1 3.92Å; N1684-I1686 WeakPolarHBondContact O-CG1 3.35Å; N1684-I1686 PolarHBondContact O-N 2.85Å; I1686-N1688 VanDerWaalsContact C-N 3.34Å; I1686-N1688 PolarHBondContact O-N 2.87Å; I1686-W1689 VanDerWaalsContact CA-CE2 3.47Å; I1686-W1689 HydrophobicContact CB-CZ2 3.97Å; I1686-W1689 HydrophobicContact CG1-CH2 4.31Å; I1686-W1689 HydrophobicContact CG1-CZ2 3.51Å; I1686-W1689 HydrophobicContact CG2-CH2 4.17Å; I1686-W1689 HydrophobicContact CG2-CZ2 4.08Å; I1686-N1690 VanDerWaalsContact CG2-ND2 3.26Å; I1686-N1690 WeakPolarHBondContact CG2-ND2 3.39Å; I1686-N1690 WeakPolarHBondContact O-CB 3.38Å; I1686-N1690 VanDerWaalsContact O-CG 3.29Å; I1686-N1690 PolarHBondContact O-N 2.88Å; I1686-N1690 VanDerWaalsContact O-N 3.17Å; I1686-N1690 PolarHBondContact O-ND2 3.33Å; I1686-C1723 HydrophobicContact CD1-CB 3.75Å; I1686-I1738 HydrophobicContact CD1-CD1 4.49Å; I1686-I1738 HydrophobicContact CD1-CG2 4.08Å; I1686-I1738 HydrophobicContact CG1-CG2 4.04Å; I1686-I1738 HydrophobicContact CG2-CD1 3.92Å; I1686-I1738 HydrophobicContact CG2-CG1 3.95Å; I1686-I1738 HydrophobicContact CG2-CG2 3.96Å |
| 1687 | P | 87 | Confident | 85.5 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 176.3 | -24.3 | 35.7 | 0 | 0 | 0 | 112.9 | P1672 N1690 D1691 | P1672-P1687 HydrophobicContact CB-CG 3.75Å; P1672-P1687 HydrophobicContact CG-CG 4.32Å; P1687-N1690 PolarHBondContact O-N 2.93Å; P1687-D1691 PolarHBondContact O-N 2.94Å |
| 1688 | N | 82.2 | Confident | 85.8 | Confident | 35 Ų | 35 | 23.7 Ų | 23.7 | 19% | 0.187 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -57.2 | -174.7 | -63.6 | 4.6 | 0 | 0 | 0 | 111.2 | L1685 I1686 N1690 D1691 L1692 | L1685-N1688 HydrophobicContact CB-CB 4.21Å; L1685-N1688 WeakPolarHBondContact O-CB 3.34Å; L1685-N1688 PolarHBondContact O-N 3.2Å; I1686-N1688 VanDerWaalsContact C-N 3.34Å; I1686-N1688 PolarHBondContact O-N 2.87Å; N1688-N1690 VanDerWaalsContact C-N 3.27Å; N1688-N1690 PolarHBondContact O-N 3.24Å; N1688-D1691 PolarHBondContact O-N 2.95Å; N1688-D1691 VanDerWaalsContact O-N 3.16Å; N1688-L1692 WeakPolarHBondContact O-CG 3.29Å; N1688-L1692 PolarHBondContact O-N 3.34Å; N1688-L1692 VanDerWaalsContact O-N 3.11Å |
| 1689 | W | 87.3 | Confident | 86 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -71 | -22.9 | -178.4 | 54.6 | -112.1 | 0 | 0 | 0 | 112.8 | L1685 I1686 V1693 A1701 A1704 I1738 I1741 E1742 I1745 | L1685-W1689 VanDerWaalsContact C-CD1 3.48Å; L1685-W1689 PolarHBondContact O-N 3.27Å; L1685-W1689 PolarHBondContact O-NE1 3.43Å; I1686-W1689 VanDerWaalsContact CA-CE2 3.47Å; I1686-W1689 HydrophobicContact CB-CZ2 3.97Å; I1686-W1689 HydrophobicContact CG1-CH2 4.31Å; I1686-W1689 HydrophobicContact CG1-CZ2 3.51Å; I1686-W1689 HydrophobicContact CG2-CH2 4.17Å; I1686-W1689 HydrophobicContact CG2-CZ2 4.08Å; W1689-V1693 VanDerWaalsContact O-CG2 3.29Å; W1689-V1693 WeakPolarHBondContact O-CG2 3.48Å; W1689-V1693 PolarHBondContact O-N 3.24Å; W1689-A1701 HydrophobicContact CB-CB 4.13Å; W1689-A1704 HydrophobicContact CB-CB 4.22Å; W1689-I1738 HydrophobicContact CH2-CG2 3.59Å; W1689-I1738 HydrophobicContact CZ2-CG2 4.02Å; W1689-I1741 HydrophobicContact CE3-CG2 3.96Å; W1689-I1741 HydrophobicContact CZ3-CB 3.89Å; W1689-I1741 HydrophobicContact CZ3-CG2 3.48Å; W1689-I1741 VanDerWaalsContact CZ3-CG2 3.48Å; W1689-E1742 HydrophobicContact CH2-CB 4.26Å; W1689-I1745 HydrophobicContact CB-CD1 4.33Å; W1689-I1745 HydrophobicContact CD2-CD1 4.05Å; W1689-I1745 HydrophobicContact CE3-CD1 3.63Å; W1689-I1745 HydrophobicContact CG-CD1 4.39Å; W1689-I1745 HydrophobicContact CZ3-CD1 4.2Å |
| 1690 | N | 90.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.6 | -39.6 | 170.2 | -87.9 | -45 | 0 | 0 | 0 | 112 | C1666 I1686 P1687 N1688 L1692 V1693 F1694 I1741 | C1666-N1690 HydrophobicContact CB-CB 4.18Å; I1686-N1690 VanDerWaalsContact CG2-ND2 3.26Å; I1686-N1690 WeakPolarHBondContact CG2-ND2 3.39Å; I1686-N1690 WeakPolarHBondContact O-CB 3.38Å; I1686-N1690 VanDerWaalsContact O-CG 3.29Å; I1686-N1690 PolarHBondContact O-N 2.88Å; I1686-N1690 VanDerWaalsContact O-N 3.17Å; I1686-N1690 PolarHBondContact O-ND2 3.33Å; P1687-N1690 PolarHBondContact O-N 2.93Å; N1688-N1690 VanDerWaalsContact C-N 3.27Å; N1688-N1690 PolarHBondContact O-N 3.24Å; N1690-L1692 VanDerWaalsContact C-N 3.33Å; N1690-V1693 PolarHBondContact O-N 3.27Å; N1690-F1694 WeakPolarHBondContact O-CB 3.5Å; N1690-F1694 PolarHBondContact O-N 3.43Å; N1690-I1741 VanDerWaalsContact OD1-CD1 3.22Å; N1690-I1741 WeakPolarHBondContact OD1-CD1 3.49Å |
| 1691 | D | 84.1 | Confident | 85 | Confident | 37 Ų | 37 | 25.4 Ų | 25.4 | 20% | 0.198 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.8 | -167.2 | 62.4 | 0 | 0 | 0 | 111.3 | K1622 P1687 N1688 F1694 K1695 | K1622-D1691 WeakPolarHBondContact CE-OD1 3.41Å; P1687-D1691 PolarHBondContact O-N 2.94Å; N1688-D1691 PolarHBondContact O-N 2.95Å; N1688-D1691 VanDerWaalsContact O-N 3.16Å; D1691-F1694 WeakPolarHBondContact O-CB 3.36Å; D1691-F1694 PolarHBondContact O-N 3.04Å; D1691-K1695 WeakPolarHBondContact O-CG 3.47Å; D1691-K1695 PolarHBondContact O-N 2.84Å; D1691-K1695 WeakPolarHBondContact OD2-CE 3.29Å; D1691-K1695 IonicContact OD2-NZ 2.74Å; D1691-K1695 PolarHBondContact OD2-NZ 3.04Å |
| 1692 | L | 83.7 | Confident | 85 | Confident | 39 Ų | 39 | 26 Ų | 26 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 174.2 | -65.9 | 168.9 | 0 | 0 | 0 | 112 | N1688 N1690 F1694 K1695 G1696 D1697 A1700 A1701 A1704 | N1688-L1692 WeakPolarHBondContact O-CG 3.29Å; N1688-L1692 PolarHBondContact O-N 3.34Å; N1688-L1692 VanDerWaalsContact O-N 3.11Å; N1690-L1692 VanDerWaalsContact C-N 3.33Å; L1692-F1694 VanDerWaalsContact C-N 3.33Å; L1692-F1694 PolarHBondContact O-N 3.32Å; L1692-K1695 CarbonylContact O-C 3.57Å; L1692-K1695 PolarHBondContact O-N 2.95Å; L1692-K1695 VanDerWaalsContact O-N 3.17Å; L1692-G1696 PolarHBondContact O-N 2.97Å; L1692-D1697 PolarHBondContact O-N 2.92Å; L1692-A1700 HydrophobicContact CD1-CB 3.89Å; L1692-A1700 HydrophobicContact CD2-CB 4.04Å; L1692-A1700 HydrophobicContact CG-CB 4.47Å; L1692-A1701 HydrophobicContact CB-CB 3.9Å; L1692-A1704 HydrophobicContact CD1-CB 4.29Å |
| 1693 | V | 88.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 173 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | A1663 W1689 N1690 K1695 G1696 W1698 A1701 I1741 I1745 | A1663-V1693 HydrophobicContact CB-CB 4.32Å; A1663-V1693 HydrophobicContact CB-CG1 3.93Å; W1689-V1693 VanDerWaalsContact O-CG2 3.29Å; W1689-V1693 WeakPolarHBondContact O-CG2 3.48Å; W1689-V1693 PolarHBondContact O-N 3.24Å; N1690-V1693 PolarHBondContact O-N 3.27Å; V1693-K1695 VanDerWaalsContact C-N 3.29Å; V1693-K1695 PolarHBondContact O-N 3.5Å; V1693-G1696 PolarHBondContact O-N 3.21Å; V1693-G1696 VanDerWaalsContact O-N 3.08Å; V1693-W1698 HydrophobicContact CG1-CH2 3.61Å; V1693-W1698 HydrophobicContact CG1-CZ2 3.97Å; V1693-W1698 HydrophobicContact CG1-CZ3 3.94Å; V1693-W1698 HydrophobicContact CG2-CE3 3.95Å; V1693-W1698 HydrophobicContact CG2-CH2 4.36Å; V1693-W1698 HydrophobicContact CG2-CZ3 3.83Å; V1693-A1701 HydrophobicContact CG2-CB 3.88Å; V1693-I1741 HydrophobicContact CB-CG2 4.34Å; V1693-I1741 HydrophobicContact CG1-CG2 4.16Å; V1693-I1741 HydrophobicContact CG2-CG2 3.96Å; V1693-I1745 HydrophobicContact CG2-CD1 3.84Å; V1693-I1745 HydrophobicContact CG2-CG1 3.88Å |
| 1694 | F | 86.5 | Confident | 84 | Confident | 43 Ų | 43 | 27.7 Ų | 27.7 | 19% | 0.189 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -37.8 | 174.9 | 167.7 | -103.2 | 0 | 0 | 0 | 112 | L1620 K1622 V1660 A1663 A1664 N1690 D1691 L1692 G1696 | L1620-F1694 HydrophobicContact CB-CE2 3.8Å; L1620-F1694 HydrophobicContact CB-CZ 4.46Å; K1622-F1694 HydrophobicContact CB-CD1 4.3Å; K1622-F1694 HydrophobicContact CB-CE1 3.67Å; K1622-F1694 HydrophobicContact CB-CE2 4.25Å; K1622-F1694 HydrophobicContact CB-CZ 3.65Å; K1622-F1694 HydrophobicContact CD-CD1 3.91Å; K1622-F1694 HydrophobicContact CD-CD2 4.28Å; K1622-F1694 HydrophobicContact CD-CE1 4.16Å; K1622-F1694 HydrophobicContact CD-CE2 4.49Å; K1622-F1694 HydrophobicContact CD-CG 3.99Å; K1622-F1694 HydrophobicContact CD-CZ 4.45Å; K1622-F1694 HydrophobicContact CG-CD1 4.13Å; K1622-F1694 HydrophobicContact CG-CE1 3.97Å; K1622-F1694 HydrophobicContact CG-CZ 4.36Å; V1660-F1694 WeakPolarHBondContact CG1-O 3.49Å; A1663-F1694 HydrophobicContact CB-CB 4.09Å; A1664-F1694 HydrophobicContact CB-CD2 3.65Å; A1664-F1694 HydrophobicContact CB-CE2 3.74Å; N1690-F1694 WeakPolarHBondContact O-CB 3.5Å; N1690-F1694 PolarHBondContact O-N 3.43Å; D1691-F1694 WeakPolarHBondContact O-CB 3.36Å; D1691-F1694 PolarHBondContact O-N 3.04Å; L1692-F1694 VanDerWaalsContact C-N 3.33Å; L1692-F1694 PolarHBondContact O-N 3.32Å; F1694-G1696 PolarHBondContact O-N 2.73Å |
| 1695 | K | 78.3 | Confident | 83.9 | Confident | 117 Ų | 117 | 27.5 Ų | 27.5 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -75.6 | -8.4 | 174.7 | -71 | 167.6 | 172.6 | 164.5 | 0 | 113.7 | D1691 L1692 V1693 | D1691-K1695 WeakPolarHBondContact O-CG 3.47Å; D1691-K1695 PolarHBondContact O-N 2.84Å; D1691-K1695 WeakPolarHBondContact OD2-CE 3.29Å; D1691-K1695 IonicContact OD2-NZ 2.74Å; D1691-K1695 PolarHBondContact OD2-NZ 3.04Å; L1692-K1695 CarbonylContact O-C 3.57Å; L1692-K1695 PolarHBondContact O-N 2.95Å; L1692-K1695 VanDerWaalsContact O-N 3.17Å; V1693-K1695 VanDerWaalsContact C-N 3.29Å; V1693-K1695 PolarHBondContact O-N 3.5Å |
| 1696 | G | 82.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 28.4 Ų | 28.4 | 40% | 0.402 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1692 V1693 F1694 W1698 | L1692-G1696 PolarHBondContact O-N 2.97Å; V1693-G1696 PolarHBondContact O-N 3.21Å; V1693-G1696 VanDerWaalsContact O-N 3.08Å; F1694-G1696 PolarHBondContact O-N 2.73Å; G1696-W1698 PolarHBondContact O-N 2.75Å |
| 1697 | D | 81.5 | Confident | 83.2 | Confident | 55 Ų | 55 | 29.4 Ų | 29.4 | 29% | 0.294 | 16% | 0.16 | S | C | . | . | trans | -90.5 | 88.5 | 179.9 | -171.6 | -11.8 | 0 | 0 | 0 | 111.3 | L1692 H1699 A1700 A1701 | L1692-D1697 PolarHBondContact O-N 2.92Å; D1697-H1699 PolarHBondContact OD1-N 2.63Å; D1697-A1700 VanDerWaalsContact CG-CB 3.49Å; D1697-A1700 WeakPolarHBondContact OD1-CB 3.47Å; D1697-A1700 PolarHBondContact OD1-N 3.06Å; D1697-A1700 VanDerWaalsContact OD2-CB 3.26Å; D1697-A1700 WeakPolarHBondContact OD2-CB 3.33Å; D1697-A1701 WeakPolarHBondContact O-CB 3.23Å; D1697-A1701 PolarHBondContact O-N 2.99Å | ||
| 1698 | W | 86.1 | Confident | 83.1 | Confident | 34 Ų | 34 | 29.4 Ų | 29.4 | 13% | 0.129 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -75.8 | -26.7 | -177.6 | -64.7 | 91.6 | 0 | 0 | 0 | 113.3 | L1659 V1660 V1693 G1696 H1702 T1744 I1745 K1748 W1754 | L1659-W1698 HydrophobicContact CB-CH2 4.34Å; L1659-W1698 HydrophobicContact CD1-CH2 4.48Å; V1660-W1698 HydrophobicContact CG2-CZ2 4.25Å; V1693-W1698 HydrophobicContact CG1-CH2 3.61Å; V1693-W1698 HydrophobicContact CG1-CZ2 3.97Å; V1693-W1698 HydrophobicContact CG1-CZ3 3.94Å; V1693-W1698 HydrophobicContact CG2-CE3 3.95Å; V1693-W1698 HydrophobicContact CG2-CH2 4.36Å; V1693-W1698 HydrophobicContact CG2-CZ3 3.83Å; G1696-W1698 PolarHBondContact O-N 2.75Å; W1698-H1702 PolarHBondContact O-N 2.92Å; W1698-T1744 HydrophobicContact CH2-CG2 4.19Å; W1698-T1744 HydrophobicContact CZ3-CG2 3.96Å; W1698-I1745 HydrophobicContact CE3-CG1 4.16Å; W1698-I1745 HydrophobicContact CZ3-CG1 4.17Å; W1698-K1748 HydrophobicContact CB-CD 4.06Å; W1698-K1748 VanDerWaalsContact CD1-NZ 3.26Å; W1698-K1748 HydrophobicContact CD2-CD 3.54Å; W1698-K1748 VanDerWaalsContact CE2-NZ 3.32Å; W1698-K1748 HydrophobicContact CE3-CD 3.77Å; W1698-K1748 HydrophobicContact CG-CD 3.65Å; W1698-K1748 HydrophobicContact CZ3-CD 4.41Å; W1698-W1754 HydrophobicContact CB-CH2 3.74Å; W1698-W1754 HydrophobicContact CB-CZ3 4.16Å; W1698-W1754 WeakPolarHBondContact O-CZ3 3.25Å |
| 1699 | H | 81.8 | Confident | 83.5 | Confident | 89 Ų | 89 | 27.9 Ų | 27.9 | 41% | 0.412 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -73.9 | -49.7 | -178.3 | -177.9 | -119.1 | 0 | 0 | 0 | 110.5 | D1697 A1701 H1702 I1703 W1754 | D1697-H1699 PolarHBondContact OD1-N 2.63Å; H1699-A1701 VanDerWaalsContact C-N 3.25Å; H1699-A1701 PolarHBondContact O-N 3.26Å; H1699-H1702 WeakPolarHBondContact O-CB 3.36Å; H1699-H1702 PolarHBondContact O-N 2.74Å; H1699-H1702 VanDerWaalsContact O-N 3.09Å; H1699-I1703 PolarHBondContact O-N 2.75Å; H1699-W1754 HydrophobicContact CB-CE3 4.44Å; H1699-W1754 HydrophobicContact CB-CH2 3.88Å; H1699-W1754 HydrophobicContact CB-CZ2 3.86Å; H1699-W1754 HydrophobicContact CB-CZ3 4.17Å; H1699-W1754 AromaticContact CD2-CD1 3.97Å; H1699-W1754 AromaticContact CD2-CD2 3.5Å; H1699-W1754 AromaticContact CD2-CE2 3.69Å; H1699-W1754 AromaticContact CD2-CE3 3.85Å; H1699-W1754 AromaticContact CD2-CG 3.75Å; H1699-W1754 AromaticContact CD2-NE1 3.93Å |
| 1700 | A | 72.8 | Confident | 83.7 | Confident | 21 Ų | 21 | 28.2 Ų | 28.2 | 17% | 0.174 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -35.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1692 D1697 H1702 I1703 A1704 | L1692-A1700 HydrophobicContact CD1-CB 3.89Å; L1692-A1700 HydrophobicContact CD2-CB 4.04Å; L1692-A1700 HydrophobicContact CG-CB 4.47Å; D1697-A1700 VanDerWaalsContact CG-CB 3.49Å; D1697-A1700 WeakPolarHBondContact OD1-CB 3.47Å; D1697-A1700 PolarHBondContact OD1-N 3.06Å; D1697-A1700 VanDerWaalsContact OD2-CB 3.26Å; D1697-A1700 WeakPolarHBondContact OD2-CB 3.33Å; A1700-H1702 VanDerWaalsContact C-N 3.32Å; A1700-H1702 PolarHBondContact O-N 3.37Å; A1700-I1703 PolarHBondContact O-N 2.68Å; A1700-A1704 WeakPolarHBondContact O-CB 3.39Å; A1700-A1704 PolarHBondContact O-N 2.87Å |
| 1701 | A | 84.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1689 L1692 V1693 D1697 H1699 L1705 I1745 | W1689-A1701 HydrophobicContact CB-CB 4.13Å; L1692-A1701 HydrophobicContact CB-CB 3.9Å; V1693-A1701 HydrophobicContact CG2-CB 3.88Å; D1697-A1701 WeakPolarHBondContact O-CB 3.23Å; D1697-A1701 PolarHBondContact O-N 2.99Å; H1699-A1701 VanDerWaalsContact C-N 3.25Å; H1699-A1701 PolarHBondContact O-N 3.26Å; A1701-L1705 WeakPolarHBondContact O-CB 3.08Å; A1701-L1705 PolarHBondContact O-N 2.88Å; A1701-L1705 VanDerWaalsContact O-N 3.07Å; A1701-I1745 HydrophobicContact CB-CD1 4.15Å; A1701-I1745 HydrophobicContact CB-CG1 4.3Å |
| 1702 | H | 87.1 | Confident | 84.2 | Confident | 18 Ų | 18 | 26.7 Ų | 26.7 | 8% | 0.083 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.5 | 173 | 55.4 | 0 | 0 | 0 | 111.8 | W1698 H1699 A1700 A1704 L1705 A1706 I1745 A1749 W1754 | W1698-H1702 PolarHBondContact O-N 2.92Å; H1699-H1702 WeakPolarHBondContact O-CB 3.36Å; H1699-H1702 PolarHBondContact O-N 2.74Å; H1699-H1702 VanDerWaalsContact O-N 3.09Å; A1700-H1702 VanDerWaalsContact C-N 3.32Å; A1700-H1702 PolarHBondContact O-N 3.37Å; H1702-A1704 PolarHBondContact O-N 2.98Å; H1702-L1705 PolarHBondContact O-N 2.79Å; H1702-A1706 WeakPolarHBondContact O-CB 3.05Å; H1702-A1706 PolarHBondContact O-N 3.33Å; H1702-I1745 VanDerWaalsContact CA-CG2 3.46Å; H1702-I1745 HydrophobicContact CB-CG2 3.89Å; H1702-A1749 HydrophobicContact CB-CB 4.17Å; H1702-A1749 WeakPolarHBondContact ND1-CB 3.45Å; H1702-W1754 HydrophobicContact CB-CE3 3.95Å; H1702-W1754 HydrophobicContact CB-CZ3 4.16Å |
| 1703 | I | 78.3 | Confident | 84.6 | Confident | 29 Ų | 29 | 24.9 Ų | 24.9 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.3 | -50.4 | 177.5 | -70.3 | 171.1 | 0 | 0 | 0 | 110.4 | L843 H1699 A1700 L1705 A1706 Q1707 | L843-I1703 HydrophobicContact CB-CG2 4.33Å; L843-I1703 HydrophobicContact CD2-CG2 4.04Å; L843-I1703 WeakPolarHBondContact O-CG2 3.4Å; H1699-I1703 PolarHBondContact O-N 2.75Å; A1700-I1703 PolarHBondContact O-N 2.68Å; I1703-L1705 VanDerWaalsContact C-N 3.3Å; I1703-L1705 PolarHBondContact O-N 2.9Å; I1703-A1706 PolarHBondContact O-N 3.47Å; I1703-Q1707 PolarHBondContact O-N 3.04Å |
| 1704 | A | 77.3 | Confident | 84.8 | Confident | 10 Ų | 10 | 25 Ų | 25 | 8% | 0.083 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.8 | -35.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W1689 L1692 A1700 H1702 | W1689-A1704 HydrophobicContact CB-CB 4.22Å; L1692-A1704 HydrophobicContact CD1-CB 4.29Å; A1700-A1704 WeakPolarHBondContact O-CB 3.39Å; A1700-A1704 PolarHBondContact O-N 2.87Å; H1702-A1704 PolarHBondContact O-N 2.98Å |
| 1705 | L | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -73.7 | -37.4 | 177.2 | 178.8 | 60 | 0 | 0 | 0 | 112.7 | A1701 H1702 I1703 Q1707 T1708 N1709 P1712 E1742 I1745 | A1701-L1705 WeakPolarHBondContact O-CB 3.08Å; A1701-L1705 PolarHBondContact O-N 2.88Å; A1701-L1705 VanDerWaalsContact O-N 3.07Å; H1702-L1705 PolarHBondContact O-N 2.79Å; I1703-L1705 VanDerWaalsContact C-N 3.3Å; I1703-L1705 PolarHBondContact O-N 2.9Å; L1705-Q1707 PolarHBondContact O-N 3.37Å; L1705-T1708 PolarHBondContact O-N 3.33Å; L1705-T1708 PolarHBondContact O-OG1 3.43Å; L1705-N1709 HydrophobicContact CD1-CB 4.38Å; L1705-N1709 PolarHBondContact O-N 2.68Å; L1705-N1709 VanDerWaalsContact O-N 3.12Å; L1705-P1712 HydrophobicContact CD2-CB 3.6Å; L1705-P1712 HydrophobicContact CD2-CG 4.18Å; L1705-P1712 HydrophobicContact CG-CB 4.02Å; L1705-P1712 HydrophobicContact CG-CG 4.45Å; L1705-E1742 HydrophobicContact CD1-CG 4.09Å; L1705-E1742 HydrophobicContact CD2-CG 3.88Å; L1705-I1745 HydrophobicContact CD2-CB 4.02Å; L1705-I1745 HydrophobicContact CD2-CD1 4.3Å; L1705-I1745 HydrophobicContact CD2-CG2 3.8Å |
| 1706 | A | 83.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 17.8 Ų | 17.8 | 22% | 0.215 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.5 | -23.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L843 H1702 I1703 T1708 | L843-A1706 HydrophobicContact CD2-CB 3.91Å; H1702-A1706 WeakPolarHBondContact O-CB 3.05Å; H1702-A1706 PolarHBondContact O-N 3.33Å; I1703-A1706 PolarHBondContact O-N 3.47Å; A1706-T1708 VanDerWaalsContact C-N 3.25Å; A1706-T1708 PolarHBondContact O-N 3.41Å |
| 1707 | Q | 77.9 | Confident | 86 | Confident | 24 Ų | 24 | 16.6 Ų | 16.6 | 11% | 0.112 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.1 | 175.6 | -70.1 | 175.9 | 12.2 | 0 | 0 | 112.4 | L1685 I1703 L1705 R2130 | L1685-Q1707 VanDerWaalsContact CD1-OE1 3.31Å; I1703-Q1707 PolarHBondContact O-N 3.04Å; L1705-Q1707 PolarHBondContact O-N 3.37Å; Q1707-R2130 PolarHBondContact O-NH2 3.31Å |
| 1708 | T | 85.2 | Confident | 86.3 | Confident | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -27.8 | -173.7 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | N1684 L1685 L1705 A1706 R2130 G2150 | N1684-T1708 WeakPolarHBondContact CA-OG1 3.49Å; N1684-T1708 WeakPolarHBondContact OD1-CB 3.13Å; N1684-T1708 PolarHBondContact OD1-OG1 3.44Å; L1685-T1708 HydrophobicContact CG-CG2 4.09Å; L1705-T1708 PolarHBondContact O-N 3.33Å; L1705-T1708 PolarHBondContact O-OG1 3.43Å; A1706-T1708 VanDerWaalsContact C-N 3.25Å; A1706-T1708 PolarHBondContact O-N 3.41Å; T1708-R2130 VanDerWaalsContact O-CZ 3.25Å; T1708-R2130 PolarHBondContact O-NE 3.4Å; T1708-R2130 PolarHBondContact O-NH1 2.76Å; T1708-G2150 VanDerWaalsContact CG2-C 3.49Å |
| 1709 | N | 90.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.016 | 8% | 0.079 | C | C | . | . | trans | -120.4 | 123.7 | -175.1 | -165.6 | -7.6 | 0 | 0 | 0 | 112.5 | L1682 L1705 F1711 P1712 T1715 E1742 | L1682-N1709 HydrophobicContact CD1-CB 3.91Å; L1682-N1709 VanDerWaalsContact CD1-CG 3.47Å; L1705-N1709 HydrophobicContact CD1-CB 4.38Å; L1705-N1709 PolarHBondContact O-N 2.68Å; L1705-N1709 VanDerWaalsContact O-N 3.12Å; N1709-F1711 PolarHBondContact OD1-N 2.94Å; N1709-P1712 WeakPolarHBondContact ND2-CA 3.45Å; N1709-T1715 PolarHBondContact ND2-OG1 2.93Å; N1709-E1742 PolarHBondContact ND2-OE1 2.7Å | ||
| 1710 | N | 90 | Very high | 86.6 | Confident | 7 Ų | 7 | 11.5 Ų | 11.5 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -69.4 | -36.2 | 173.9 | -57.4 | 71.5 | 0 | 0 | 0 | 112.1 | D1784 Q1785 I2126 R2130 | N1710-D1784 PolarHBondContact ND2-OD2 2.9Å; N1710-Q1785 PolarHBondContact ND2-NE2 3.15Å; N1710-I2126 HydrophobicContact CB-CG2 4.45Å; N1710-R2130 WeakPolarHBondContact OD1-CD 3.48Å; N1710-R2130 WeakPolarHBondContact OD1-CG 3.39Å; N1710-R2130 PolarHBondContact OD1-NH1 3.48Å |
| 1711 | F | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -134.6 | 61.4 | -166.5 | -44.6 | -55.2 | 0 | 0 | 0 | 112.5 | N1709 E1713 F1714 T1715 L1780 A1781 D1784 R1823 M1827 I2126 | N1709-F1711 PolarHBondContact OD1-N 2.94Å; F1711-E1713 PolarHBondContact O-N 3.32Å; F1711-F1714 HydrophobicContact CB-CB 4.17Å; F1711-F1714 HydrophobicContact CB-CD2 3.24Å; F1711-F1714 HydrophobicContact CB-CE2 3.66Å; F1711-F1714 HydrophobicContact CB-CG 3.83Å; F1711-F1714 HydrophobicContact CD1-CD2 4.41Å; F1711-F1714 AromaticContact CD1-CE2 3.96Å; F1711-F1714 HydrophobicContact CD1-CE2 3.96Å; F1711-F1714 HydrophobicContact CD2-CD2 4.01Å; F1711-F1714 HydrophobicContact CD2-CE2 4.09Å; F1711-F1714 AromaticContact CG-CD2 3.66Å; F1711-F1714 HydrophobicContact CG-CD2 3.66Å; F1711-F1714 AromaticContact CG-CE2 3.64Å; F1711-F1714 HydrophobicContact CG-CE2 3.64Å; F1711-F1714 PolarHBondContact O-N 2.89Å; F1711-T1715 PolarHBondContact O-N 3.14Å; F1711-T1715 PolarHBondContact O-OG1 3.49Å; F1711-L1780 HydrophobicContact CE2-CB 3.89Å; F1711-L1780 HydrophobicContact CZ-CB 3.8Å; F1711-A1781 HydrophobicContact CE2-CB 3.91Å; F1711-D1784 HydrophobicContact CZ-CB 4.39Å; F1711-R1823 HydrophobicContact CD1-CG 3.77Å; F1711-R1823 HydrophobicContact CE1-CG 3.95Å; F1711-M1827 HydrophobicContact CE1-SD 3.96Å; F1711-M1827 HydrophobicContact CZ-SD 4.12Å; F1711-I2126 HydrophobicContact CB-CD1 4.4Å; F1711-I2126 HydrophobicContact CD2-CD1 3.94Å; F1711-I2126 HydrophobicContact CD2-CG1 4.07Å | ||
| 1712 | P | 92.4 | Very high | 87.7 | Confident | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.032 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.2 | -26.5 | 179.8 | 26.7 | -35.2 | 0 | 0 | 0 | 113.5 | L1705 N1709 F1714 T1715 G1716 E1742 A1746 | L1705-P1712 HydrophobicContact CD2-CB 3.6Å; L1705-P1712 HydrophobicContact CD2-CG 4.18Å; L1705-P1712 HydrophobicContact CG-CB 4.02Å; L1705-P1712 HydrophobicContact CG-CG 4.45Å; N1709-P1712 WeakPolarHBondContact ND2-CA 3.45Å; P1712-F1714 VanDerWaalsContact C-N 3.27Å; P1712-F1714 PolarHBondContact O-N 3.01Å; P1712-T1715 WeakPolarHBondContact CA-OG1 3.35Å; P1712-T1715 PolarHBondContact O-OG1 2.91Å; P1712-G1716 WeakPolarHBondContact O-CA 3.36Å; P1712-G1716 PolarHBondContact O-N 3.32Å; P1712-E1742 HydrophobicContact CB-CG 4.08Å; P1712-A1746 HydrophobicContact CB-CB 3.93Å; P1712-A1746 HydrophobicContact CG-CB 3.8Å |
| 1713 | E | 91.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.009 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.2 | -24.5 | 174.2 | 65.7 | -90.6 | -144.3 | 0 | 0 | 113.5 | F1711 R1717 A1746 V1819 R1823 | F1711-E1713 PolarHBondContact O-N 3.32Å; E1713-R1717 WeakPolarHBondContact O-CD 3.28Å; E1713-R1717 WeakPolarHBondContact O-CG 3.37Å; E1713-R1717 PolarHBondContact O-NH1 3.05Å; E1713-A1746 HydrophobicContact CB-CB 4.02Å; E1713-V1819 HydrophobicContact CB-CG1 3.88Å; E1713-V1819 HydrophobicContact CG-CG1 3.7Å; E1713-R1823 VanDerWaalsContact CD-NH2 3.29Å; E1713-R1823 IonicContact OE1-CZ 3.75Å; E1713-R1823 IonicContact OE1-NE 2.81Å; E1713-R1823 PolarHBondContact OE1-NE 3.28Å; E1713-R1823 IonicContact OE1-NH2 3.64Å; E1713-R1823 PolarHBondContact OE1-NH2 2.86Å; E1713-R1823 IonicContact OE2-CZ 3.78Å; E1713-R1823 IonicContact OE2-NH2 3.99Å; E1713-R1823 PolarHBondContact OE2-NH2 3.31Å |
| 1714 | F | 93.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 10 Ų | 10 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -84.9 | -51.8 | 175.2 | -55.9 | -19.4 | 0 | 0 | 0 | 109.6 | F1711 P1712 G1716 R1717 V1718 L1806 L1815 V1819 L1820 R1823 | F1711-F1714 HydrophobicContact CB-CB 4.17Å; F1711-F1714 HydrophobicContact CB-CD2 3.24Å; F1711-F1714 HydrophobicContact CB-CE2 3.66Å; F1711-F1714 HydrophobicContact CB-CG 3.83Å; F1711-F1714 HydrophobicContact CD1-CD2 4.41Å; F1711-F1714 AromaticContact CD1-CE2 3.96Å; F1711-F1714 HydrophobicContact CD1-CE2 3.96Å; F1711-F1714 HydrophobicContact CD2-CD2 4.01Å; F1711-F1714 HydrophobicContact CD2-CE2 4.09Å; F1711-F1714 AromaticContact CG-CD2 3.66Å; F1711-F1714 HydrophobicContact CG-CD2 3.66Å; F1711-F1714 AromaticContact CG-CE2 3.64Å; F1711-F1714 HydrophobicContact CG-CE2 3.64Å; F1711-F1714 PolarHBondContact O-N 2.89Å; P1712-F1714 VanDerWaalsContact C-N 3.27Å; P1712-F1714 PolarHBondContact O-N 3.01Å; F1714-G1716 VanDerWaalsContact C-N 3.29Å; F1714-G1716 PolarHBondContact O-N 2.94Å; F1714-R1717 PolarHBondContact O-N 3.35Å; F1714-V1718 VanDerWaalsContact O-CG2 3.32Å; F1714-V1718 WeakPolarHBondContact O-CG2 3.31Å; F1714-V1718 PolarHBondContact O-N 3.16Å; F1714-L1806 HydrophobicContact CD2-CD1 3.72Å; F1714-L1806 HydrophobicContact CE2-CD1 3.85Å; F1714-L1806 HydrophobicContact CG-CD1 4.5Å; F1714-L1815 HydrophobicContact CD1-CD1 4.07Å; F1714-L1815 HydrophobicContact CD1-CD2 4.46Å; F1714-V1819 HydrophobicContact CD1-CG1 4.29Å; F1714-V1819 HydrophobicContact CE1-CG1 4.22Å; F1714-L1820 HydrophobicContact CE1-CB 4.47Å; F1714-L1820 HydrophobicContact CE1-CD1 4.18Å; F1714-L1820 HydrophobicContact CE2-CD1 4.14Å; F1714-L1820 HydrophobicContact CZ-CD1 3.63Å; F1714-R1823 HydrophobicContact CE1-CB 4.33Å; F1714-R1823 HydrophobicContact CE2-CG 4.3Å; F1714-R1823 HydrophobicContact CZ-CB 3.75Å; F1714-R1823 HydrophobicContact CZ-CG 3.83Å |
| 1715 | T | 92.3 | Very high | 89 | Confident | 2 Ų | 2 | 10 Ų | 10 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | -180 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | N1709 F1711 P1712 R1717 C1719 E1742 V2123 I2126 | N1709-T1715 PolarHBondContact ND2-OG1 2.93Å; F1711-T1715 PolarHBondContact O-N 3.14Å; F1711-T1715 PolarHBondContact O-OG1 3.49Å; P1712-T1715 WeakPolarHBondContact CA-OG1 3.35Å; P1712-T1715 PolarHBondContact O-OG1 2.91Å; T1715-R1717 PolarHBondContact O-N 3.15Å; T1715-R1717 VanDerWaalsContact O-N 3.1Å; T1715-C1719 WeakPolarHBondContact O-CB 3.45Å; T1715-C1719 PolarHBondContact O-N 2.87Å; T1715-C1719 VanDerWaalsContact O-N 3.14Å; T1715-E1742 PolarHBondContact OG1-OE1 3.41Å; T1715-V2123 HydrophobicContact CG2-CB 4.39Å; T1715-V2123 HydrophobicContact CG2-CG2 4.47Å; T1715-I2126 HydrophobicContact CG2-CD1 3.91Å |
| 1716 | G | 90 | Very high | 89.3 | Confident | 7 Ų | 7 | 10 Ų | 10 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.4 | -16.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1712 F1714 K1739 | P1712-G1716 WeakPolarHBondContact O-CA 3.36Å; P1712-G1716 PolarHBondContact O-N 3.32Å; F1714-G1716 VanDerWaalsContact C-N 3.29Å; F1714-G1716 PolarHBondContact O-N 2.94Å; G1716-K1739 WeakPolarHBondContact O-CE 3.42Å; G1716-K1739 VanDerWaalsContact O-CG 3.32Å; G1716-K1739 WeakPolarHBondContact O-CG 3.46Å |
| 1717 | R | 89.2 | Confident | 89.7 | Confident | 14 Ų | 14 | 9.3 Ų | 9.3 | 5% | 0.053 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -108.2 | -52.2 | 179.9 | -71.4 | 174.6 | 170.7 | 74.1 | 5.8 | 113 | E1648 E1713 F1714 T1715 K1739 D1747 L1815 | E1648-R1717 WeakPolarHBondContact OE1-CD 3.4Å; E1648-R1717 IonicContact OE1-NE 2.8Å; E1648-R1717 PolarHBondContact OE1-NE 3.31Å; E1648-R1717 IonicContact OE2-CZ 3.95Å; E1648-R1717 IonicContact OE2-NE 3.8Å; E1648-R1717 PolarHBondContact OE2-NE 2.94Å; E1648-R1717 VanDerWaalsContact OE2-NE 3.1Å; E1648-R1717 IonicContact OE2-NH2 2.94Å; E1713-R1717 WeakPolarHBondContact O-CD 3.28Å; E1713-R1717 WeakPolarHBondContact O-CG 3.37Å; E1713-R1717 PolarHBondContact O-NH1 3.05Å; F1714-R1717 PolarHBondContact O-N 3.35Å; T1715-R1717 PolarHBondContact O-N 3.15Å; T1715-R1717 VanDerWaalsContact O-N 3.1Å; R1717-K1739 WeakPolarHBondContact O-CE 3.26Å; R1717-K1739 PolarHBondContact O-NZ 3.25Å; R1717-D1747 IonicContact CZ-OD1 2.87Å; R1717-D1747 IonicContact CZ-OD2 3.52Å; R1717-D1747 IonicContact NH1-OD1 3.33Å; R1717-D1747 PolarHBondContact NH1-OD1 2.89Å; R1717-D1747 IonicContact NH1-OD2 3.11Å; R1717-D1747 IonicContact NH2-OD1 2.71Å; R1717-D1747 PolarHBondContact NH2-OD1 3.16Å; R1717-D1747 VanDerWaalsContact NH2-OD1 3.13Å; R1717-D1747 IonicContact NH2-OD2 2.76Å; R1717-D1747 PolarHBondContact NH2-OD2 3.03Å; R1717-L1815 HydrophobicContact CB-CD1 4.37Å |
| 1718 | V | 89.5 | Confident | 90.4 | Very high | 17 Ų | 17 | 8.4 Ų | 8.4 | 10% | 0.103 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -100.3 | -17.3 | -169.4 | -55.2 | 0 | 0 | 0 | 0 | 114.3 | F1714 I1810 L1815 V2122 | F1714-V1718 VanDerWaalsContact O-CG2 3.32Å; F1714-V1718 WeakPolarHBondContact O-CG2 3.31Å; F1714-V1718 PolarHBondContact O-N 3.16Å; V1718-I1810 HydrophobicContact CB-CD1 4.28Å; V1718-I1810 HydrophobicContact CG1-CD1 4.21Å; V1718-I1810 HydrophobicContact CG1-CG2 3.91Å; V1718-I1810 HydrophobicContact CG2-CD1 4.29Å; V1718-L1815 HydrophobicContact CG1-CB 3.69Å; V1718-L1815 HydrophobicContact CG1-CD2 4.22Å; V1718-L1815 HydrophobicContact CG1-CG 4.37Å; V1718-V2122 HydrophobicContact CG2-CB 4.29Å; V1718-V2122 HydrophobicContact CG2-CG1 4.3Å; V1718-V2122 HydrophobicContact CG2-CG2 4.06Å |
| 1719 | C | 89.1 | Confident | 90.6 | Very high | 12 Ų | 12 | 8.4 Ų | 8.4 | 8% | 0.081 | 5% | 0.054 | C | C | . | . | trans | -66.6 | 138.1 | 179.1 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | T1715 A1721 K1739 | T1715-C1719 WeakPolarHBondContact O-CB 3.45Å; T1715-C1719 PolarHBondContact O-N 2.87Å; T1715-C1719 VanDerWaalsContact O-N 3.14Å; C1719-A1721 PolarHBondContact O-N 3.35Å; C1719-A1721 PolarHBondContact SG-N 2.81Å; C1719-K1739 WeakPolarHBondContact O-CD 3.4Å; C1719-K1739 VanDerWaalsContact O-CE 3.29Å; C1719-K1739 WeakPolarHBondContact O-CE 3.48Å; C1719-K1739 PolarHBondContact O-NZ 2.94Å | ||
| 1720 | P | 85.1 | Confident | 90.3 | Very high | 43 Ų | 43 | 9.7 Ų | 9.7 | 28% | 0.279 | 7% | 0.068 | S | C | . | . | trans | -69.6 | -6.4 | 169.5 | 28.2 | -33.6 | 0 | 0 | 0 | 112.3 | W1993 L2121 | P1720-W1993 HydrophobicContact CB-CH2 4.1Å; P1720-W1993 HydrophobicContact CB-CZ2 3.95Å; P1720-W1993 WeakPolarHBondContact O-CH2 3.37Å; P1720-L2121 HydrophobicContact CG-CD1 3.69Å; P1720-L2121 HydrophobicContact CG-CD2 3.73Å; P1720-L2121 HydrophobicContact CG-CG 4.33Å | ||
| 1721 | A | 89 | Confident | 90.1 | Very high | 2 Ų | 2 | 12.1 Ų | 12.1 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | trans | 63.4 | 60.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | C1719 C1723 E1724 K1739 W1993 | C1719-A1721 PolarHBondContact O-N 3.35Å; C1719-A1721 PolarHBondContact SG-N 2.81Å; A1721-C1723 PolarHBondContact O-N 3.38Å; A1721-E1724 HydrophobicContact CB-CB 4.45Å; A1721-E1724 HydrophobicContact CB-CG 3.94Å; A1721-E1724 WeakPolarHBondContact O-CB 3.09Å; A1721-E1724 PolarHBondContact O-N 2.88Å; A1721-K1739 HydrophobicContact CB-CB 3.85Å; A1721-K1739 HydrophobicContact CB-CD 4.22Å; A1721-K1739 HydrophobicContact CB-CG 4.38Å; A1721-W1993 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 1722 | P | 90 | Very high | 89.4 | Confident | 15 Ų | 15 | 14.8 Ų | 14.8 | 10% | 0.097 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.9 | -27.3 | 175.7 | 21.1 | -28.7 | 0 | 0 | 0 | 113.4 | G1679 E1724 G1725 A1726 W1993 L2121 | G1679-P1722 CarbonylContact O-C 3.59Å; G1679-P1722 WeakPolarHBondContact O-CB 3.33Å; G1679-P1722 WeakPolarHBondContact O-CG 3.48Å; P1722-E1724 VanDerWaalsContact C-N 3.26Å; P1722-E1724 PolarHBondContact O-N 3.44Å; P1722-G1725 PolarHBondContact O-N 3.32Å; P1722-A1726 PolarHBondContact O-N 3.11Å; P1722-W1993 HydrophobicContact CB-CE3 4.1Å; P1722-W1993 HydrophobicContact CB-CZ3 4.43Å; P1722-L2121 HydrophobicContact CG-CD1 4.33Å |
| 1723 | C | 92 | Very high | 88.9 | Confident | 7 Ų | 7 | 16.7 Ų | 16.7 | 5% | 0.047 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -30.8 | 173.6 | 55.5 | 0 | 0 | 0 | 0 | 113.9 | C1674 G1679 C1680 I1686 A1721 C1727 I1738 | C1674-C1723 HydrophobicContact CB-CB 4.22Å; C1674-C1723 WeakPolarHBondContact CB-O 3.4Å; G1679-C1723 WeakPolarHBondContact O-CA 3.4Å; G1679-C1723 PolarHBondContact O-N 2.91Å; C1680-C1723 HydrophobicContact CB-CB 4.16Å; I1686-C1723 HydrophobicContact CD1-CB 3.75Å; A1721-C1723 PolarHBondContact O-N 3.38Å; C1723-C1727 PolarHBondContact O-N 2.99Å; C1723-C1727 VanDerWaalsContact O-N 3.12Å; C1723-I1738 HydrophobicContact CB-CD1 4.15Å |
| 1724 | E | 91.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 20.4 Ų | 20.4 | 6% | 0.061 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -74 | -36.3 | 174.2 | -62.8 | -171.8 | 169 | 0 | 0 | 111.1 | R1631 A1721 P1722 C1727 P1735 V1736 T1737 I1738 K1739 | R1631-E1724 IonicContact CZ-OE2 3.7Å; R1631-E1724 IonicContact NH2-OE1 3.43Å; R1631-E1724 IonicContact NH2-OE2 3.47Å; R1631-E1724 PolarHBondContact NH2-OE2 2.88Å; A1721-E1724 HydrophobicContact CB-CB 4.45Å; A1721-E1724 HydrophobicContact CB-CG 3.94Å; A1721-E1724 WeakPolarHBondContact O-CB 3.09Å; A1721-E1724 PolarHBondContact O-N 2.88Å; P1722-E1724 VanDerWaalsContact C-N 3.26Å; P1722-E1724 PolarHBondContact O-N 3.44Å; E1724-C1727 VanDerWaalsContact O-CB 3.31Å; E1724-C1727 WeakPolarHBondContact O-CB 3.35Å; E1724-C1727 PolarHBondContact O-N 2.77Å; E1724-P1735 HydrophobicContact CB-CB 4.36Å; E1724-P1735 HydrophobicContact CB-CG 4.21Å; E1724-P1735 WeakPolarHBondContact O-CB 3.33Å; E1724-P1735 WeakPolarHBondContact O-CG 3.34Å; E1724-V1736 WeakPolarHBondContact CG-O 3.48Å; E1724-T1737 VanDerWaalsContact OE1-C 3.26Å; E1724-T1737 WeakPolarHBondContact OE1-CA 3.27Å; E1724-I1738 HydrophobicContact CG-CB 3.94Å; E1724-I1738 HydrophobicContact CG-CD1 4.23Å; E1724-I1738 HydrophobicContact CG-CG1 4.28Å; E1724-I1738 PolarHBondContact OE1-N 3.33Å; E1724-K1739 PolarHBondContact OE1-N 2.85Å; E1724-K1739 VanDerWaalsContact OE1-N 3.09Å |
| 1725 | G | 88.2 | Confident | 88.6 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1722 | P1722-G1725 PolarHBondContact O-N 3.32Å |
| 1726 | A | 92 | Very high | 88.6 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -84.6 | -9.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1673 G1679 P1722 V1728 W1990 P1991 | F1673-A1726 HydrophobicContact CB-CB 4.47Å; F1673-A1726 WeakPolarHBondContact CB-O 3.42Å; G1679-A1726 VanDerWaalsContact CA-CB 3.46Å; P1722-A1726 PolarHBondContact O-N 3.11Å; A1726-V1728 PolarHBondContact O-N 2.75Å; A1726-W1990 WeakPolarHBondContact O-CZ2 3.41Å; A1726-P1991 HydrophobicContact CB-CB 4.12Å |
| 1727 | C | 92.6 | Very high | 88.6 | Confident | 11 Ų | 11 | 21 Ų | 21 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | trans | -57.9 | 134.1 | 179.3 | -179 | 0 | 0 | 0 | 0 | 110.4 | C1723 E1724 L1729 G1730 P1735 | C1723-C1727 PolarHBondContact O-N 2.99Å; C1723-C1727 VanDerWaalsContact O-N 3.12Å; E1724-C1727 VanDerWaalsContact O-CB 3.31Å; E1724-C1727 WeakPolarHBondContact O-CB 3.35Å; E1724-C1727 PolarHBondContact O-N 2.77Å; C1727-L1729 PolarHBondContact O-N 3.33Å; C1727-G1730 WeakPolarHBondContact O-CA 3.48Å; C1727-G1730 PolarHBondContact O-N 3.37Å; C1727-P1735 HydrophobicContact CB-CB 3.73Å | ||
| 1728 | V | 91.4 | Very high | 88.8 | Confident | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -58.8 | -32.9 | -178.6 | 174.5 | 0 | 0 | 0 | 0 | 112 | T1174 P1185 M1667 F1673 A1726 G1730 I1731 W1990 | T1174-V1728 HydrophobicContact CG2-CG1 4.05Å; T1174-V1728 VanDerWaalsContact OG1-CG1 3.31Å; T1174-V1728 WeakPolarHBondContact OG1-CG1 3.41Å; P1185-V1728 HydrophobicContact CG-CG1 3.89Å; M1667-V1728 HydrophobicContact CE-CB 3.64Å; M1667-V1728 HydrophobicContact CE-CG1 3.56Å; F1673-V1728 HydrophobicContact CD2-CG2 3.67Å; F1673-V1728 HydrophobicContact CE2-CG2 4.36Å; F1673-V1728 HydrophobicContact CG-CG2 4.41Å; A1726-V1728 PolarHBondContact O-N 2.75Å; V1728-G1730 PolarHBondContact O-N 3.44Å; V1728-I1731 HydrophobicContact CG1-CD1 4.25Å; V1728-I1731 WeakPolarHBondContact O-CB 3.3Å; V1728-I1731 WeakPolarHBondContact O-CG1 3.46Å; V1728-I1731 PolarHBondContact O-N 3.3Å; V1728-W1990 HydrophobicContact CG2-CH2 4.29Å; V1728-W1990 HydrophobicContact CG2-CZ2 4.04Å |
| 1729 | L | 88.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -60.8 | -33.8 | 173.4 | -75.3 | 177.7 | 0 | 0 | 0 | 112.3 | F1626 R1665 M1667 C1727 I1731 N1732 S1733 V1736 | F1626-L1729 HydrophobicContact CB-CD1 3.65Å; F1626-L1729 HydrophobicContact CB-CD2 3.69Å; F1626-L1729 HydrophobicContact CB-CG 4.31Å; F1626-L1729 HydrophobicContact CD2-CD2 3.53Å; F1626-L1729 HydrophobicContact CE2-CD2 4.34Å; F1626-L1729 HydrophobicContact CG-CD2 3.79Å; R1665-L1729 VanDerWaalsContact O-CD1 3.28Å; R1665-L1729 WeakPolarHBondContact O-CD1 3.43Å; M1667-L1729 HydrophobicContact CE-CD2 3.69Å; M1667-L1729 HydrophobicContact CE-CG 3.63Å; M1667-L1729 HydrophobicContact CG-CD1 4.41Å; M1667-L1729 HydrophobicContact CG-CD2 4.04Å; M1667-L1729 HydrophobicContact CG-CG 4.17Å; M1667-L1729 HydrophobicContact SD-CD2 3.43Å; M1667-L1729 WeakPolarHBondContact SD-CD2 2.92Å; M1667-L1729 HydrophobicContact SD-CG 3.94Å; C1727-L1729 PolarHBondContact O-N 3.33Å; L1729-I1731 PolarHBondContact O-N 3.25Å; L1729-N1732 PolarHBondContact O-N 3.33Å; L1729-S1733 CarbonylContact C-O 3.52Å; L1729-S1733 CarbonylContact O-C 3.52Å; L1729-S1733 VanDerWaalsContact O-C 3.31Å; L1729-S1733 WeakPolarHBondContact O-CA 3.36Å; L1729-S1733 WeakPolarHBondContact O-CB 2.96Å; L1729-S1733 PolarHBondContact O-N 2.96Å; L1729-V1736 HydrophobicContact CD1-CG2 3.95Å |
| 1730 | G | 86.3 | Confident | 88.9 | Confident | 30 Ų | 30 | 20.1 Ų | 20.1 | 31% | 0.309 | 12% | 0.124 | S | C | . | . | G | 310 helix | trans | -61.4 | -7.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C1727 V1728 S1733 | C1727-G1730 WeakPolarHBondContact O-CA 3.48Å; C1727-G1730 PolarHBondContact O-N 3.37Å; V1728-G1730 PolarHBondContact O-N 3.44Å; G1730-S1733 VanDerWaalsContact CA-O 3.29Å; G1730-S1733 WeakPolarHBondContact CA-O 3.39Å |
| 1731 | I | 84 | Confident | 89.2 | Confident | 59 Ų | 59 | 18 Ų | 18 | 30% | 0.303 | 11% | 0.111 | S | C | . | . | G | 310 helix | trans | -68.4 | -43.4 | 174.4 | -64.2 | 172.7 | 0 | 0 | 0 | 111.1 | T1174 V1186 V1728 L1729 W1990 | T1174-I1731 HydrophobicContact CG2-CD1 3.55Å; V1186-I1731 HydrophobicContact CG1-CD1 4.38Å; V1728-I1731 HydrophobicContact CG1-CD1 4.25Å; V1728-I1731 WeakPolarHBondContact O-CB 3.3Å; V1728-I1731 WeakPolarHBondContact O-CG1 3.46Å; V1728-I1731 PolarHBondContact O-N 3.3Å; L1729-I1731 PolarHBondContact O-N 3.25Å; I1731-W1990 HydrophobicContact CD1-CD2 3.86Å; I1731-W1990 HydrophobicContact CD1-CE3 3.99Å; I1731-W1990 HydrophobicContact CD1-CH2 3.89Å; I1731-W1990 HydrophobicContact CD1-CZ2 3.8Å; I1731-W1990 HydrophobicContact CD1-CZ3 4Å; I1731-W1990 HydrophobicContact CG1-CD2 3.67Å; I1731-W1990 HydrophobicContact CG1-CE3 4.27Å; I1731-W1990 HydrophobicContact CG1-CG 3.87Å; I1731-W1990 HydrophobicContact CG1-CZ2 4.1Å |
| 1732 | N | 80.2 | Confident | 89.4 | Confident | 56 Ų | 56 | 18.4 Ų | 18.4 | 30% | 0.299 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -144.1 | 8.7 | -171.6 | 62.5 | 31.1 | 0 | 0 | 0 | 114 | P1185 K1198 L1729 | P1185-N1732 PolarHBondContact O-ND2 3.35Å; K1198-N1732 PolarHBondContact NZ-OD1 3.25Å; L1729-N1732 PolarHBondContact O-N 3.33Å |
| 1733 | S | 82 | Confident | 89.5 | Confident | 45 Ų | 45 | 18 Ų | 18 | 32% | 0.315 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -151.8 | 172.9 | 178.7 | -161.5 | 0 | 0 | 0 | 0 | 109.6 | L1729 G1730 | L1729-S1733 CarbonylContact C-O 3.52Å; L1729-S1733 CarbonylContact O-C 3.52Å; L1729-S1733 VanDerWaalsContact O-C 3.31Å; L1729-S1733 WeakPolarHBondContact O-CA 3.36Å; L1729-S1733 WeakPolarHBondContact O-CB 2.96Å; L1729-S1733 PolarHBondContact O-N 2.96Å; G1730-S1733 VanDerWaalsContact CA-O 3.29Å; G1730-S1733 WeakPolarHBondContact CA-O 3.39Å |
| 1734 | D | 86.3 | Confident | 89.5 | Confident | 79 Ų | 79 | 18 Ų | 18 | 42% | 0.422 | 11% | 0.111 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 133.7 | 175.2 | -84.2 | -36.3 | 0 | 0 | 0 | 110.7 | R1631 R1665 | R1631-D1734 HydrophobicContact CB-CB 3.63Å; R1631-D1734 HydrophobicContact CG-CB 4.27Å; R1665-D1734 PolarHBondContact NH2-O 2.86Å |
| 1735 | P | 90.7 | Very high | 89.5 | Confident | 16 Ų | 16 | 17.4 Ų | 17.4 | 10% | 0.104 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 170.4 | -179.5 | 29.8 | -36.3 | 0 | 0 | 0 | 112.5 | R1631 R1665 E1724 C1727 | R1631-P1735 WeakPolarHBondContact CD-O 3.12Å; R1665-P1735 PolarHBondContact NH1-O 3.09Å; E1724-P1735 HydrophobicContact CB-CB 4.36Å; E1724-P1735 HydrophobicContact CB-CG 4.21Å; E1724-P1735 WeakPolarHBondContact O-CB 3.33Å; E1724-P1735 WeakPolarHBondContact O-CG 3.34Å; C1727-P1735 HydrophobicContact CB-CB 3.73Å |
| 1736 | V | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 144.3 | 172 | -174.6 | 0 | 0 | 0 | 0 | 109.6 | R1665 C1666 E1724 L1729 I1738 I1741 | R1665-V1736 HydrophobicContact CB-CG2 4.45Å; C1666-V1736 HydrophobicContact CB-CG1 4.4Å; C1666-V1736 HydrophobicContact CB-CG2 4.08Å; E1724-V1736 WeakPolarHBondContact CG-O 3.48Å; L1729-V1736 HydrophobicContact CD1-CG2 3.95Å; V1736-I1738 HydrophobicContact CB-CG1 4.04Å; V1736-I1738 HydrophobicContact CG1-CG1 4.2Å; V1736-I1738 PolarHBondContact O-N 3.17Å; V1736-I1741 HydrophobicContact CG1-CD1 4.35Å |
| 1737 | T | 90.7 | Very high | 89.6 | Confident | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | trans | -79.1 | 59.2 | 178 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | R1631 Q1662 E1724 K1739 H1740 I1741 | R1631-T1737 HydrophobicContact CG-CG2 3.8Å; Q1662-T1737 WeakPolarHBondContact CB-OG1 2.96Å; E1724-T1737 VanDerWaalsContact OE1-C 3.26Å; E1724-T1737 WeakPolarHBondContact OE1-CA 3.27Å; T1737-K1739 VanDerWaalsContact C-N 3.35Å; T1737-K1739 PolarHBondContact O-N 3.32Å; T1737-H1740 PolarHBondContact O-N 3.33Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.21Å; T1737-I1741 PolarHBondContact O-N 3.3Å | ||
| 1738 | I | 92.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -45.7 | -173 | -62.1 | 166.6 | 0 | 0 | 0 | 111.3 | C1674 I1686 W1689 C1723 E1724 V1736 H1740 I1741 E1742 | C1674-I1738 HydrophobicContact CB-CD1 4.05Å; I1686-I1738 HydrophobicContact CD1-CD1 4.49Å; I1686-I1738 HydrophobicContact CD1-CG2 4.08Å; I1686-I1738 HydrophobicContact CG1-CG2 4.04Å; I1686-I1738 HydrophobicContact CG2-CD1 3.92Å; I1686-I1738 HydrophobicContact CG2-CG1 3.95Å; I1686-I1738 HydrophobicContact CG2-CG2 3.96Å; W1689-I1738 HydrophobicContact CH2-CG2 3.59Å; W1689-I1738 HydrophobicContact CZ2-CG2 4.02Å; C1723-I1738 HydrophobicContact CB-CD1 4.15Å; E1724-I1738 HydrophobicContact CG-CB 3.94Å; E1724-I1738 HydrophobicContact CG-CD1 4.23Å; E1724-I1738 HydrophobicContact CG-CG1 4.28Å; E1724-I1738 PolarHBondContact OE1-N 3.33Å; V1736-I1738 HydrophobicContact CB-CG1 4.04Å; V1736-I1738 HydrophobicContact CG1-CG1 4.2Å; V1736-I1738 PolarHBondContact O-N 3.17Å; I1738-H1740 VanDerWaalsContact C-N 3.33Å; I1738-H1740 PolarHBondContact O-N 3.48Å; I1738-I1741 PolarHBondContact O-N 2.99Å; I1738-E1742 WeakPolarHBondContact O-CB 3.39Å; I1738-E1742 PolarHBondContact O-N 3.07Å |
| 1739 | K | 91.3 | Very high | 89.4 | Confident | 9 Ų | 9 | 19.6 Ų | 19.6 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.3 | -44.4 | -175 | 179.9 | -179.5 | 175.5 | 174.4 | 0 | 112.7 | Y1650 G1716 R1717 C1719 A1721 E1724 T1737 G1743 | Y1650-K1739 PolarHBondContact OH-NZ 3.12Å; G1716-K1739 WeakPolarHBondContact O-CE 3.42Å; G1716-K1739 VanDerWaalsContact O-CG 3.32Å; G1716-K1739 WeakPolarHBondContact O-CG 3.46Å; R1717-K1739 WeakPolarHBondContact O-CE 3.26Å; R1717-K1739 PolarHBondContact O-NZ 3.25Å; C1719-K1739 WeakPolarHBondContact O-CD 3.4Å; C1719-K1739 VanDerWaalsContact O-CE 3.29Å; C1719-K1739 WeakPolarHBondContact O-CE 3.48Å; C1719-K1739 PolarHBondContact O-NZ 2.94Å; A1721-K1739 HydrophobicContact CB-CB 3.85Å; A1721-K1739 HydrophobicContact CB-CD 4.22Å; A1721-K1739 HydrophobicContact CB-CG 4.38Å; E1724-K1739 PolarHBondContact OE1-N 2.85Å; E1724-K1739 VanDerWaalsContact OE1-N 3.09Å; T1737-K1739 VanDerWaalsContact C-N 3.35Å; T1737-K1739 PolarHBondContact O-N 3.32Å; K1739-G1743 PolarHBondContact O-N 3.46Å |
| 1740 | H | 89.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.056 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77.3 | -32.7 | -175.9 | -68.5 | 99.6 | 0 | 0 | 0 | 112.5 | Y1650 I1655 L1659 T1737 I1738 T1744 | Y1650-H1740 AromaticContact CD1-NE2 3.89Å; Y1650-H1740 AromaticContact CE1-NE2 3.96Å; I1655-H1740 HydrophobicContact CG2-CB 3.69Å; L1659-H1740 HydrophobicContact CD2-CB 4.35Å; T1737-H1740 PolarHBondContact O-N 3.33Å; I1738-H1740 VanDerWaalsContact C-N 3.33Å; I1738-H1740 PolarHBondContact O-N 3.48Å; H1740-T1744 WeakPolarHBondContact O-CB 3.22Å; H1740-T1744 PolarHBondContact O-N 3.49Å; H1740-T1744 PolarHBondContact O-OG1 2.68Å |
| 1741 | I | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.1 | -46.9 | 172.2 | -61.2 | 168.9 | 0 | 0 | 0 | 109 | L1659 A1663 W1689 N1690 V1693 V1736 T1737 I1738 G1743 T1744 I1745 | L1659-I1741 HydrophobicContact CD2-CG1 3.89Å; A1663-I1741 HydrophobicContact CB-CD1 4.17Å; W1689-I1741 HydrophobicContact CE3-CG2 3.96Å; W1689-I1741 HydrophobicContact CZ3-CB 3.89Å; W1689-I1741 HydrophobicContact CZ3-CG2 3.48Å; W1689-I1741 VanDerWaalsContact CZ3-CG2 3.48Å; N1690-I1741 VanDerWaalsContact OD1-CD1 3.22Å; N1690-I1741 WeakPolarHBondContact OD1-CD1 3.49Å; V1693-I1741 HydrophobicContact CB-CG2 4.34Å; V1693-I1741 HydrophobicContact CG1-CG2 4.16Å; V1693-I1741 HydrophobicContact CG2-CG2 3.96Å; V1736-I1741 HydrophobicContact CG1-CD1 4.35Å; T1737-I1741 WeakPolarHBondContact O-CG1 3.21Å; T1737-I1741 PolarHBondContact O-N 3.3Å; I1738-I1741 PolarHBondContact O-N 2.99Å; I1741-G1743 PolarHBondContact O-N 3.21Å; I1741-T1744 PolarHBondContact O-N 2.98Å; I1741-I1745 HydrophobicContact CG2-CD1 3.99Å; I1741-I1745 HydrophobicContact CG2-CG1 4.44Å; I1741-I1745 VanDerWaalsContact O-CG1 3.31Å; I1741-I1745 WeakPolarHBondContact O-CG1 3.11Å; I1741-I1745 PolarHBondContact O-N 3.16Å |
| 1742 | E | 93.5 | Very high | 90 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.2 | -52.5 | 175.6 | -177.5 | -178.3 | -171.1 | 0 | 0 | 112.3 | N1684 W1689 L1705 N1709 P1712 T1715 I1738 T1744 I1745 A1746 | N1684-E1742 PolarHBondContact ND2-OE1 3.04Å; W1689-E1742 HydrophobicContact CH2-CB 4.26Å; L1705-E1742 HydrophobicContact CD1-CG 4.09Å; L1705-E1742 HydrophobicContact CD2-CG 3.88Å; N1709-E1742 PolarHBondContact ND2-OE1 2.7Å; P1712-E1742 HydrophobicContact CB-CG 4.08Å; T1715-E1742 PolarHBondContact OG1-OE1 3.41Å; I1738-E1742 WeakPolarHBondContact O-CB 3.39Å; I1738-E1742 PolarHBondContact O-N 3.07Å; E1742-T1744 VanDerWaalsContact C-N 3.28Å; E1742-T1744 PolarHBondContact O-N 3.24Å; E1742-I1745 PolarHBondContact O-N 3.27Å; E1742-A1746 PolarHBondContact O-N 2.75Å; E1742-A1746 VanDerWaalsContact O-N 3.16Å |
| 1743 | G | 90.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -36.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | K1739 I1741 A1746 D1747 | K1739-G1743 PolarHBondContact O-N 3.46Å; I1741-G1743 PolarHBondContact O-N 3.21Å; G1743-A1746 PolarHBondContact O-N 3.22Å; G1743-D1747 PolarHBondContact O-N 3.13Å |
| 1744 | T | 92.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 30.2 Ų | 30.2 | 5% | 0.049 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -73.5 | -36 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | R1656 L1659 W1698 H1740 I1741 E1742 A1746 D1747 K1748 | R1656-T1744 HydrophobicContact CG-CG2 3.88Å; L1659-T1744 HydrophobicContact CD1-CG2 3.64Å; L1659-T1744 WeakPolarHBondContact CD1-OG1 3.42Å; W1698-T1744 HydrophobicContact CH2-CG2 4.19Å; W1698-T1744 HydrophobicContact CZ3-CG2 3.96Å; H1740-T1744 WeakPolarHBondContact O-CB 3.22Å; H1740-T1744 PolarHBondContact O-N 3.49Å; H1740-T1744 PolarHBondContact O-OG1 2.68Å; I1741-T1744 PolarHBondContact O-N 2.98Å; E1742-T1744 VanDerWaalsContact C-N 3.28Å; E1742-T1744 PolarHBondContact O-N 3.24Å; T1744-A1746 VanDerWaalsContact C-N 3.29Å; T1744-A1746 PolarHBondContact O-N 3.48Å; T1744-D1747 PolarHBondContact O-N 3.17Å; T1744-K1748 HydrophobicContact CG2-CG 4.47Å; T1744-K1748 WeakPolarHBondContact O-CB 3.19Å; T1744-K1748 PolarHBondContact O-N 3.46Å |
| 1745 | I | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 171.9 | -68.2 | 163.4 | 0 | 0 | 0 | 109.3 | W1689 V1693 W1698 A1701 H1702 L1705 I1741 E1742 K1748 A1749 | W1689-I1745 HydrophobicContact CB-CD1 4.33Å; W1689-I1745 HydrophobicContact CD2-CD1 4.05Å; W1689-I1745 HydrophobicContact CE3-CD1 3.63Å; W1689-I1745 HydrophobicContact CG-CD1 4.39Å; W1689-I1745 HydrophobicContact CZ3-CD1 4.2Å; V1693-I1745 HydrophobicContact CG2-CD1 3.84Å; V1693-I1745 HydrophobicContact CG2-CG1 3.88Å; W1698-I1745 HydrophobicContact CE3-CG1 4.16Å; W1698-I1745 HydrophobicContact CZ3-CG1 4.17Å; A1701-I1745 HydrophobicContact CB-CD1 4.15Å; A1701-I1745 HydrophobicContact CB-CG1 4.3Å; H1702-I1745 VanDerWaalsContact CA-CG2 3.46Å; H1702-I1745 HydrophobicContact CB-CG2 3.89Å; L1705-I1745 HydrophobicContact CD2-CB 4.02Å; L1705-I1745 HydrophobicContact CD2-CD1 4.3Å; L1705-I1745 HydrophobicContact CD2-CG2 3.8Å; I1741-I1745 HydrophobicContact CG2-CD1 3.99Å; I1741-I1745 HydrophobicContact CG2-CG1 4.44Å; I1741-I1745 VanDerWaalsContact O-CG1 3.31Å; I1741-I1745 WeakPolarHBondContact O-CG1 3.11Å; I1741-I1745 PolarHBondContact O-N 3.16Å; E1742-I1745 PolarHBondContact O-N 3.27Å; I1745-K1748 PolarHBondContact O-N 3.42Å; I1745-A1749 WeakPolarHBondContact O-CB 3.47Å; I1745-A1749 PolarHBondContact O-N 3.12Å |
| 1746 | A | 91.1 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P1712 E1713 E1742 G1743 T1744 A1749 W1750 | P1712-A1746 HydrophobicContact CB-CB 3.93Å; P1712-A1746 HydrophobicContact CG-CB 3.8Å; E1713-A1746 HydrophobicContact CB-CB 4.02Å; E1742-A1746 PolarHBondContact O-N 2.75Å; E1742-A1746 VanDerWaalsContact O-N 3.16Å; G1743-A1746 PolarHBondContact O-N 3.22Å; T1744-A1746 VanDerWaalsContact C-N 3.29Å; T1744-A1746 PolarHBondContact O-N 3.48Å; A1746-A1749 PolarHBondContact O-N 3.26Å; A1746-W1750 PolarHBondContact O-N 3Å; A1746-W1750 VanDerWaalsContact O-N 3.15Å |
| 1747 | D | 90.9 | Very high | 88.7 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.8 | -41 | 179.5 | -70.2 | -18.4 | 0 | 0 | 0 | 112 | R1656 R1717 G1743 T1744 A1749 W1750 E1751 R1822 | R1656-D1747 IonicContact NH2-OD2 3.25Å; R1656-D1747 PolarHBondContact NH2-OD2 3.34Å; R1717-D1747 IonicContact CZ-OD1 2.87Å; R1717-D1747 IonicContact CZ-OD2 3.52Å; R1717-D1747 IonicContact NH1-OD1 3.33Å; R1717-D1747 PolarHBondContact NH1-OD1 2.89Å; R1717-D1747 IonicContact NH1-OD2 3.11Å; R1717-D1747 IonicContact NH2-OD1 2.71Å; R1717-D1747 PolarHBondContact NH2-OD1 3.16Å; R1717-D1747 VanDerWaalsContact NH2-OD1 3.13Å; R1717-D1747 IonicContact NH2-OD2 2.76Å; R1717-D1747 PolarHBondContact NH2-OD2 3.03Å; G1743-D1747 PolarHBondContact O-N 3.13Å; T1744-D1747 PolarHBondContact O-N 3.17Å; D1747-A1749 VanDerWaalsContact C-N 3.29Å; D1747-A1749 PolarHBondContact O-N 3.42Å; D1747-W1750 WeakPolarHBondContact O-CB 3.31Å; D1747-W1750 PolarHBondContact O-N 3.22Å; D1747-E1751 WeakPolarHBondContact O-CB 3.42Å; D1747-E1751 VanDerWaalsContact O-CG 3.26Å; D1747-E1751 WeakPolarHBondContact O-CG 3.21Å; D1747-E1751 PolarHBondContact O-N 2.97Å; D1747-R1822 IonicContact OD1-NH2 3.78Å; D1747-R1822 PolarHBondContact OD1-NH2 3.34Å; D1747-R1822 VanDerWaalsContact OD1-NH2 3.13Å |
| 1748 | K | 90.5 | Very high | 87.6 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 27% | 0.27 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 173.1 | -87 | -155.9 | 177 | -164 | 0 | 111.8 | W1698 T1744 I1745 W1750 E1751 N1752 | W1698-K1748 HydrophobicContact CB-CD 4.06Å; W1698-K1748 VanDerWaalsContact CD1-NZ 3.26Å; W1698-K1748 HydrophobicContact CD2-CD 3.54Å; W1698-K1748 VanDerWaalsContact CE2-NZ 3.32Å; W1698-K1748 HydrophobicContact CE3-CD 3.77Å; W1698-K1748 HydrophobicContact CG-CD 3.65Å; W1698-K1748 HydrophobicContact CZ3-CD 4.41Å; T1744-K1748 HydrophobicContact CG2-CG 4.47Å; T1744-K1748 WeakPolarHBondContact O-CB 3.19Å; T1744-K1748 PolarHBondContact O-N 3.46Å; I1745-K1748 PolarHBondContact O-N 3.42Å; K1748-W1750 VanDerWaalsContact C-N 3.26Å; K1748-W1750 PolarHBondContact O-N 2.9Å; K1748-E1751 PolarHBondContact O-N 3.47Å; K1748-N1752 WeakPolarHBondContact O-CB 3.3Å; K1748-N1752 PolarHBondContact O-N 2.8Å; K1748-N1752 PolarHBondContact O-ND2 3.08Å |
| 1749 | A | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1702 I1745 A1746 D1747 G1753 W1754 L1755 | H1702-A1749 HydrophobicContact CB-CB 4.17Å; H1702-A1749 WeakPolarHBondContact ND1-CB 3.45Å; I1745-A1749 WeakPolarHBondContact O-CB 3.47Å; I1745-A1749 PolarHBondContact O-N 3.12Å; A1746-A1749 PolarHBondContact O-N 3.26Å; D1747-A1749 VanDerWaalsContact C-N 3.29Å; D1747-A1749 PolarHBondContact O-N 3.42Å; A1749-G1753 PolarHBondContact O-N 2.87Å; A1749-W1754 HydrophobicContact CB-CB 4.34Å; A1749-W1754 HydrophobicContact CB-CD2 4.45Å; A1749-W1754 HydrophobicContact CB-CE3 3.64Å; A1749-W1754 HydrophobicContact CB-CZ3 4.32Å; A1749-W1754 PolarHBondContact O-N 3.27Å; A1749-L1755 HydrophobicContact CB-CD1 4.06Å; A1749-L1755 HydrophobicContact CB-CG 4.26Å |
| 1750 | W | 89.5 | Confident | 84.9 | Confident | 96 Ų | 96 | 45.3 Ų | 45.3 | 36% | 0.364 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.2 | -48.5 | 172.9 | -170.9 | -89.7 | 0 | 0 | 0 | 112.1 | A1746 D1747 K1748 N1752 G1753 L1755 R1822 | A1746-W1750 PolarHBondContact O-N 3Å; A1746-W1750 VanDerWaalsContact O-N 3.15Å; D1747-W1750 WeakPolarHBondContact O-CB 3.31Å; D1747-W1750 PolarHBondContact O-N 3.22Å; K1748-W1750 VanDerWaalsContact C-N 3.26Å; K1748-W1750 PolarHBondContact O-N 2.9Å; W1750-N1752 VanDerWaalsContact C-N 3.27Å; W1750-N1752 PolarHBondContact O-N 3.11Å; W1750-G1753 PolarHBondContact O-N 3.05Å; W1750-G1753 VanDerWaalsContact O-N 3.1Å; W1750-L1755 HydrophobicContact CB-CD1 4.37Å; W1750-L1755 HydrophobicContact CE3-CB 4.03Å; W1750-L1755 HydrophobicContact CE3-CD1 4.01Å; W1750-L1755 HydrophobicContact CZ3-CB 4.37Å; W1750-R1822 HydrophobicContact CE3-CG 4.43Å; W1750-R1822 VanDerWaalsContact CG-NH1 3.3Å; W1750-R1822 HydrophobicContact CH2-CB 3.64Å; W1750-R1822 HydrophobicContact CH2-CG 4.04Å; W1750-R1822 HydrophobicContact CZ2-CB 3.69Å; W1750-R1822 HydrophobicContact CZ2-CG 4.15Å; W1750-R1822 HydrophobicContact CZ3-CB 4.26Å; W1750-R1822 HydrophobicContact CZ3-CG 4.17Å |
| 1751 | E | 90.6 | Very high | 83.5 | Confident | 112 Ų | 112 | 53.5 Ų | 53.5 | 52% | 0.523 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -34.5 | -178.6 | -72.4 | 163.1 | -162.1 | 0 | 0 | 112.6 | R1656 D1747 K1748 | R1656-E1751 IonicContact CZ-OE1 2.77Å; R1656-E1751 VanDerWaalsContact CZ-OE1 3.25Å; R1656-E1751 VanDerWaalsContact NH1-CD 3.32Å; R1656-E1751 IonicContact NH1-OE1 3.59Å; R1656-E1751 PolarHBondContact NH1-OE1 3.45Å; R1656-E1751 IonicContact NH1-OE2 3.53Å; R1656-E1751 PolarHBondContact NH1-OE2 2.93Å; R1656-E1751 VanDerWaalsContact NH1-OE2 3.11Å; R1656-E1751 IonicContact NH2-OE1 3.55Å; R1656-E1751 PolarHBondContact NH2-OE1 2.82Å; D1747-E1751 WeakPolarHBondContact O-CB 3.42Å; D1747-E1751 VanDerWaalsContact O-CG 3.26Å; D1747-E1751 WeakPolarHBondContact O-CG 3.21Å; D1747-E1751 PolarHBondContact O-N 2.97Å; K1748-E1751 PolarHBondContact O-N 3.47Å |
| 1752 | N | 90.1 | Very high | 81.7 | Confident | 93 Ų | 93 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 5 | 178.5 | -66.4 | -83.3 | 0 | 0 | 0 | 113.4 | K1748 W1750 W1754 | K1748-N1752 WeakPolarHBondContact O-CB 3.3Å; K1748-N1752 PolarHBondContact O-N 2.8Å; K1748-N1752 PolarHBondContact O-ND2 3.08Å; W1750-N1752 VanDerWaalsContact C-N 3.27Å; W1750-N1752 PolarHBondContact O-N 3.11Å; N1752-W1754 VanDerWaalsContact C-N 3.35Å; N1752-W1754 HydrophobicContact CB-CD2 4.05Å; N1752-W1754 VanDerWaalsContact CB-CE2 3.47Å; N1752-W1754 HydrophobicContact CB-CG 4.38Å; N1752-W1754 HydrophobicContact CB-CH2 4.41Å; N1752-W1754 HydrophobicContact CB-CZ2 3.69Å; N1752-W1754 PolarHBondContact O-N 3.04Å |
| 1753 | G | 86.3 | Confident | 80 | Confident | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 17.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A1749 W1750 L1755 | A1749-G1753 PolarHBondContact O-N 2.87Å; W1750-G1753 PolarHBondContact O-N 3.05Å; W1750-G1753 VanDerWaalsContact O-N 3.1Å; G1753-L1755 VanDerWaalsContact C-N 3.26Å; G1753-L1755 PolarHBondContact O-N 2.96Å |
| 1754 | W | 82.9 | Confident | 79 | Confident | 68 Ų | 68 | 61 Ų | 61 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | trans | -71.9 | -21.7 | 179 | -54 | -25.7 | 0 | 0 | 0 | 112.8 | W1698 H1699 H1702 A1749 N1752 H1756 | W1698-W1754 HydrophobicContact CB-CH2 3.74Å; W1698-W1754 HydrophobicContact CB-CZ3 4.16Å; W1698-W1754 WeakPolarHBondContact O-CZ3 3.25Å; H1699-W1754 HydrophobicContact CB-CE3 4.44Å; H1699-W1754 HydrophobicContact CB-CH2 3.88Å; H1699-W1754 HydrophobicContact CB-CZ2 3.86Å; H1699-W1754 HydrophobicContact CB-CZ3 4.17Å; H1699-W1754 AromaticContact CD2-CD1 3.97Å; H1699-W1754 AromaticContact CD2-CD2 3.5Å; H1699-W1754 AromaticContact CD2-CE2 3.69Å; H1699-W1754 AromaticContact CD2-CE3 3.85Å; H1699-W1754 AromaticContact CD2-CG 3.75Å; H1699-W1754 AromaticContact CD2-NE1 3.93Å; H1702-W1754 HydrophobicContact CB-CE3 3.95Å; H1702-W1754 HydrophobicContact CB-CZ3 4.16Å; A1749-W1754 HydrophobicContact CB-CB 4.34Å; A1749-W1754 HydrophobicContact CB-CD2 4.45Å; A1749-W1754 HydrophobicContact CB-CE3 3.64Å; A1749-W1754 HydrophobicContact CB-CZ3 4.32Å; A1749-W1754 PolarHBondContact O-N 3.27Å; N1752-W1754 VanDerWaalsContact C-N 3.35Å; N1752-W1754 HydrophobicContact CB-CD2 4.05Å; N1752-W1754 VanDerWaalsContact CB-CE2 3.47Å; N1752-W1754 HydrophobicContact CB-CG 4.38Å; N1752-W1754 HydrophobicContact CB-CH2 4.41Å; N1752-W1754 HydrophobicContact CB-CZ2 3.69Å; N1752-W1754 PolarHBondContact O-N 3.04Å; W1754-H1756 PolarHBondContact O-ND1 3.12Å | ||
| 1755 | L | 80.8 | Confident | 78.3 | Confident | 34 Ų | 34 | 65.4 Ų | 65.4 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -96.1 | 95.5 | 177.1 | -71.3 | 164.9 | 0 | 0 | 0 | 110.7 | A1749 W1750 G1753 L1826 | A1749-L1755 HydrophobicContact CB-CD1 4.06Å; A1749-L1755 HydrophobicContact CB-CG 4.26Å; W1750-L1755 HydrophobicContact CB-CD1 4.37Å; W1750-L1755 HydrophobicContact CE3-CB 4.03Å; W1750-L1755 HydrophobicContact CE3-CD1 4.01Å; W1750-L1755 HydrophobicContact CZ3-CB 4.37Å; G1753-L1755 VanDerWaalsContact C-N 3.26Å; G1753-L1755 PolarHBondContact O-N 2.96Å; L1755-L1826 HydrophobicContact CB-CD2 4.37Å | ||
| 1756 | H | 80.4 | Confident | 78 | Confident | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | trans | -126.6 | 155.8 | 178.6 | 52.1 | -89.2 | 0 | 0 | 0 | 112.1 | W1754 | W1754-H1756 PolarHBondContact O-ND1 3.12Š| ||
| 1757 | P | 74.2 | Confident | 77.7 | Confident | 66 Ų | 66 | 70 Ų | 70 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.1 | 174.2 | -17.8 | 30.2 | 0 | 0 | 0 | 111.2 | L1826 A1829 N1830 | P1757-L1826 HydrophobicContact CB-CD1 4.29Å; P1757-L1826 HydrophobicContact CG-CD1 3.93Å; P1757-A1829 HydrophobicContact CB-CB 3.78Å; P1757-A1829 HydrophobicContact CG-CB 3.69Å; P1757-N1830 VanDerWaalsContact CA-OD1 3.28Å; P1757-N1830 WeakPolarHBondContact CA-OD1 3.42Å |
| 1758 | I | 66.7 | Low | 77.8 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 17% | 0.169 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 124.9 | 175.8 | -56.3 | 160.1 | 0 | 0 | 0 | 107.6 | L835 V839 D1760 N1762 N1830 | L835-I1758 HydrophobicContact CD1-CG2 3.62Å; L835-I1758 HydrophobicContact CD2-CB 4.37Å; L835-I1758 HydrophobicContact CD2-CD1 3.74Å; L835-I1758 HydrophobicContact CD2-CG2 4.01Å; L835-I1758 HydrophobicContact CG-CD1 4.46Å; L835-I1758 HydrophobicContact CG-CG2 4.07Å; V839-I1758 HydrophobicContact CG2-CD1 3.39Å; V839-I1758 HydrophobicContact CG2-CG1 4.18Å; I1758-D1760 PolarHBondContact O-N 3.36Å; I1758-N1762 HydrophobicContact CG2-CB 4.32Å; I1758-N1830 PolarHBondContact N-OD1 2.72Å |
| 1759 | P | 65 | Low | 78.1 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 42% | 0.416 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 136.5 | 179.5 | -22.6 | 30.9 | 0 | 0 | 0 | 112.1 | E1761 N1762 | P1759-E1761 PolarHBondContact O-N 3.28Å; P1759-E1761 VanDerWaalsContact O-N 3.15Å; P1759-N1762 WeakPolarHBondContact O-CB 3.39Å; P1759-N1762 PolarHBondContact O-N 2.72Å |
| 1760 | D | 62.3 | Low | 78.4 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -56.2 | -31.6 | -179.1 | -90.6 | -23.3 | 0 | 0 | 0 | 112.8 | I1758 N1762 R1763 | I1758-D1760 PolarHBondContact O-N 3.36Å; D1760-N1762 PolarHBondContact O-N 3.04Å; D1760-R1763 WeakPolarHBondContact O-CB 3.31Å; D1760-R1763 PolarHBondContact O-N 3.27Å |
| 1761 | E | 61.5 | Low | 78.8 | Confident | 184 Ų | 184 | 70 Ų | 70 | 86% | 0.86 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -57.7 | -23.4 | 177.3 | -32.9 | 179.8 | -140.8 | 0 | 0 | 113 | P1759 | P1759-E1761 PolarHBondContact O-N 3.28Å; P1759-E1761 VanDerWaalsContact O-N 3.15Å |
| 1762 | N | 54.2 | Low | 79.1 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -89.2 | -8.4 | 179.2 | -67 | -50.5 | 0 | 0 | 0 | 112.9 | L835 K838 I1758 P1759 D1760 | L835-N1762 HydrophobicContact CD1-CB 3.77Å; L835-N1762 WeakPolarHBondContact CD1-O 3.32Å; K838-N1762 HydrophobicContact CD-CB 4.1Å; K838-N1762 PolarHBondContact NZ-OD1 2.95Å; I1758-N1762 HydrophobicContact CG2-CB 4.32Å; P1759-N1762 WeakPolarHBondContact O-CB 3.39Å; P1759-N1762 PolarHBondContact O-N 2.72Å; D1760-N1762 PolarHBondContact O-N 3.04Å |
| 1763 | R | 58.3 | Low | 79.3 | Confident | 48 Ų | 48 | 60.7 Ų | 60.7 | 18% | 0.181 | 34% | 0.335 | C | S | . | . | trans | -82.7 | 112.4 | 178.7 | -77.7 | 173.9 | 163.9 | -117.3 | -30.9 | 112.1 | L835 D1760 P1765 N1787 N1830 | L835-R1763 HydrophobicContact CB-CG 4.43Å; L835-R1763 HydrophobicContact CD1-CB 4.14Å; L835-R1763 HydrophobicContact CD1-CG 3.43Å; L835-R1763 VanDerWaalsContact CD1-CG 3.43Å; L835-R1763 HydrophobicContact CD2-CG 3.67Å; L835-R1763 HydrophobicContact CG-CG 4.03Å; D1760-R1763 WeakPolarHBondContact O-CB 3.31Å; D1760-R1763 PolarHBondContact O-N 3.27Å; R1763-P1765 VanDerWaalsContact O-CD 3.23Å; R1763-P1765 WeakPolarHBondContact O-CD 3.43Å; R1763-N1787 PolarHBondContact NH1-OD1 3.28Å; R1763-N1787 PolarHBondContact NH2-ND2 3.33Å; R1763-N1787 PolarHBondContact NH2-O 3.42Å; R1763-N1787 PolarHBondContact NH2-OD1 2.77Å; R1763-N1830 PolarHBondContact NE-O 2.84Å; R1763-N1830 PolarHBondContact NH1-O 3.2Å; R1763-N1830 PolarHBondContact NH2-O 2.83Å | ||
| 1764 | I | 69.2 | Low | 79.6 | Confident | 79 Ų | 79 | 59 Ų | 59 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | trans | -88.4 | 107.7 | 160 | -52.7 | -166.5 | 0 | 0 | 0 | 108.1 | Q833 | Q833-I1764 WeakPolarHBondContact O-CD1 3.4Å; Q833-I1764 WeakPolarHBondContact O-CG1 3.36Å | ||
| 1765 | P | 77.8 | Confident | 80.2 | Confident | 100 Ų | 100 | 55.8 Ų | 55.8 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | trans | -69.7 | 138.7 | 177.4 | 26 | -30.8 | 0 | 0 | 0 | 110.8 | R1763 G1767 G1790 | R1763-P1765 VanDerWaalsContact O-CD 3.23Å; R1763-P1765 WeakPolarHBondContact O-CD 3.43Å; P1765-G1767 PolarHBondContact O-N 3.03Å; P1765-G1790 VanDerWaalsContact CA-O 3.32Å; P1765-G1790 WeakPolarHBondContact CA-O 3.08Å | ||
| 1766 | T | 85.3 | Confident | 80.8 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | trans | -76.7 | -12.4 | 175 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | K1768 V1789 G1790 H1791 M2141 | T1766-K1768 PolarHBondContact O-N 3.01Å; T1766-K1768 PolarHBondContact OG1-N 3.2Å; T1766-V1789 WeakPolarHBondContact CG2-O 3.04Å; T1766-G1790 PolarHBondContact N-O 3.24Å; T1766-G1790 PolarHBondContact OG1-O 3.29Å; T1766-H1791 WeakPolarHBondContact OG1-CA 3.45Å; T1766-H1791 PolarHBondContact OG1-CE1 2.97Å; T1766-H1791 PolarHBondContact OG1-ND1 2.86Å; T1766-M2141 HydrophobicContact CG2-CE 4.42Å | ||
| 1767 | G | 86.3 | Confident | 81.5 | Confident | 65 Ų | 65 | 49.9 Ų | 49.9 | 67% | 0.67 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 74.3 | -1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P1765 | P1765-G1767 PolarHBondContact O-N 3.03Š|
| 1768 | K | 93 | Very high | 82.5 | Confident | 67 Ų | 67 | 47 Ų | 47 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | trans | -90.8 | 134.5 | 177.8 | -55.2 | -60.9 | -177.4 | -180 | 0 | 110.9 | T1766 H1791 D1792 D1876 L2140 M2141 | T1766-K1768 PolarHBondContact O-N 3.01Å; T1766-K1768 PolarHBondContact OG1-N 3.2Å; K1768-H1791 WeakPolarHBondContact CB-ND1 3.5Å; K1768-D1792 PolarHBondContact O-N 2.83Å; K1768-D1876 VanDerWaalsContact CA-OD2 3.31Å; K1768-D1876 WeakPolarHBondContact CA-OD2 3.46Å; K1768-D1876 HydrophobicContact CB-CB 4.44Å; K1768-D1876 HydrophobicContact CD-CB 4.3Å; K1768-L2140 HydrophobicContact CB-CD1 4.28Å; K1768-L2140 HydrophobicContact CG-CD1 4.43Å; K1768-M2141 HydrophobicContact CG-SD 4.18Å | ||
| 1769 | R | 95.8 | Very high | 83.9 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 36% | 0.362 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.3 | 177.3 | -64.1 | -174 | 68.9 | -146.6 | -4.7 | 110.1 | D1792 F1875 D1876 | R1769-D1792 WeakPolarHBondContact CA-O 3.31Å; R1769-D1792 HydrophobicContact CG-CB 4.25Å; R1769-D1792 IonicContact NE-OD2 2.66Å; R1769-F1875 HydrophobicContact CB-CD1 3.98Å; R1769-F1875 HydrophobicContact CB-CE1 4.49Å; R1769-D1876 PolarHBondContact N-OD2 3.18Å; R1769-D1876 PolarHBondContact O-N 2.68Å |
| 1770 | I | 97.1 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.1 | -176.3 | -53.9 | 178.9 | 0 | 0 | 0 | 110.1 | I1772 L1786 H1791 D1792 I1794 A1877 V1879 V2136 L2140 | I1770-I1772 HydrophobicContact CG2-CG1 4.39Å; I1770-L1786 HydrophobicContact CB-CD1 4.42Å; I1770-L1786 HydrophobicContact CD1-CB 4.37Å; I1770-L1786 HydrophobicContact CD1-CD1 3.73Å; I1770-L1786 HydrophobicContact CD1-CD2 3.74Å; I1770-L1786 HydrophobicContact CD1-CG 4.15Å; I1770-L1786 HydrophobicContact CG2-CD1 3.84Å; I1770-H1791 HydrophobicContact CD1-CB 3.72Å; I1770-H1791 HydrophobicContact CG1-CB 4.27Å; I1770-D1792 PolarHBondContact N-O 3.25Å; I1770-I1794 PolarHBondContact O-N 3.06Å; I1770-A1877 WeakPolarHBondContact CA-O 3.46Å; I1770-A1877 HydrophobicContact CG1-CB 4.35Å; I1770-A1877 HydrophobicContact CG2-CB 4.26Å; I1770-V1879 HydrophobicContact CG2-CG2 4.31Å; I1770-V2136 HydrophobicContact CD1-CG1 3.74Å; I1770-L2140 HydrophobicContact CD1-CD1 3.97Å; I1770-L2140 HydrophobicContact CG1-CD1 4.29Å |
| 1771 | A | 96.6 | Very high | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1794 I1796 L1871 F1875 A1877 I1878 V1879 | A1771-I1794 HydrophobicContact CB-CG2 4.16Å; A1771-I1796 HydrophobicContact CB-CD1 4.15Å; A1771-L1871 HydrophobicContact CB-CD2 4.01Å; A1771-F1875 HydrophobicContact CB-CB 4.24Å; A1771-F1875 HydrophobicContact CB-CD1 3.69Å; A1771-F1875 HydrophobicContact CB-CD2 3.74Å; A1771-F1875 HydrophobicContact CB-CE1 3.93Å; A1771-F1875 HydrophobicContact CB-CE2 3.98Å; A1771-F1875 HydrophobicContact CB-CG 3.59Å; A1771-F1875 HydrophobicContact CB-CZ 4.07Å; A1771-A1877 PolarHBondContact N-O 3.27Å; A1771-I1878 CarbonylContact O-C 3.24Å; A1771-I1878 VanDerWaalsContact O-CA 3.31Å; A1771-I1878 WeakPolarHBondContact O-CA 3.37Å; A1771-V1879 PolarHBondContact O-N 2.89Å |
| 1772 | I | 97.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 116.7 | 174 | -60.4 | 173.8 | 0 | 0 | 0 | 108 | I1770 C1782 A1783 L1786 V1793 I1794 V1795 I1796 V1879 C1881 | I1770-I1772 HydrophobicContact CG2-CG1 4.39Å; I1772-C1782 HydrophobicContact CD1-CB 3.99Å; I1772-A1783 VanDerWaalsContact CD1-CA 3.42Å; I1772-A1783 HydrophobicContact CD1-CB 3.64Å; I1772-A1783 VanDerWaalsContact CD1-N 3.34Å; I1772-L1786 HydrophobicContact CD1-CD1 4.25Å; I1772-V1793 HydrophobicContact CD1-CG1 3.54Å; I1772-V1793 HydrophobicContact CG1-CG1 4.15Å; I1772-I1794 PolarHBondContact N-O 2.74Å; I1772-V1795 HydrophobicContact CB-CG2 4.38Å; I1772-V1795 CarbonylContact O-C 3.6Å; I1772-V1795 WeakPolarHBondContact O-CA 3.49Å; I1772-I1796 PolarHBondContact O-N 2.78Å; I1772-V1879 WeakPolarHBondContact CA-O 3.22Å; I1772-V1879 HydrophobicContact CG1-CB 4.25Å; I1772-V1879 HydrophobicContact CG1-CG2 4.45Å; I1772-C1881 HydrophobicContact CG2-CB 4.34Å |
| 1773 | V | 94.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 108.5 | -178 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | I1796 V1840 L1871 I1878 V1879 L1880 C1881 L1882 | V1773-I1796 HydrophobicContact CG2-CD1 4.49Å; V1773-V1840 HydrophobicContact CB-CG2 4.49Å; V1773-V1840 HydrophobicContact CG1-CB 3.95Å; V1773-V1840 HydrophobicContact CG1-CG2 3.6Å; V1773-V1840 HydrophobicContact CG2-CG2 4.07Å; V1773-L1871 HydrophobicContact CG2-CD1 3.88Å; V1773-I1878 HydrophobicContact CG2-CG2 4.28Å; V1773-V1879 PolarHBondContact N-O 2.95Å; V1773-L1880 HydrophobicContact CB-CD2 4.11Å; V1773-L1880 HydrophobicContact CG2-CD2 4.02Å; V1773-C1881 CarbonylContact O-C 3.58Å; V1773-C1881 VanDerWaalsContact O-C 3.25Å; V1773-C1881 VanDerWaalsContact O-CA 3.31Å; V1773-C1881 WeakPolarHBondContact O-CA 3.46Å; V1773-C1881 WeakPolarHBondContact O-CB 3.03Å; V1773-C1881 PolarHBondContact O-N 3.48Å; V1773-L1882 HydrophobicContact CB-CD2 4.04Å; V1773-L1882 HydrophobicContact CG1-CD2 3.55Å |
| 1774 | G | 92.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 12% | 0.124 | 15% | 0.145 | C | C | . | . | trans | 108.9 | 129.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | G1779 I1796 | G1774-G1779 WeakPolarHBondContact O-CA 3.35Å; G1774-I1796 PolarHBondContact N-O 2.95Å | ||
| 1775 | S | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | trans | -99.9 | 24.5 | 179.9 | 72.5 | 0 | 0 | 0 | 0 | 114 | L1780 E1797 P1802 G1803 G1804 | S1775-L1780 WeakPolarHBondContact O-CG 3.45Å; S1775-E1797 VanDerWaalsContact CB-OE2 3.31Å; S1775-E1797 WeakPolarHBondContact CB-OE2 3.16Å; S1775-E1797 PolarHBondContact N-OE2 3.31Å; S1775-E1797 VanDerWaalsContact OG-CD 3.25Å; S1775-E1797 WeakPolarHBondContact OG-CG 3.29Å; S1775-E1797 PolarHBondContact OG-OE2 2.82Å; S1775-P1802 WeakPolarHBondContact OG-CA 3.43Å; S1775-G1803 CarbonylContact O-C 3.54Å; S1775-G1803 VanDerWaalsContact O-CA 3.27Å; S1775-G1803 WeakPolarHBondContact O-CA 3.16Å; S1775-G1803 PolarHBondContact O-N 3.13Å; S1775-G1803 PolarHBondContact OG-N 3.26Å; S1775-G1804 PolarHBondContact O-N 3.02Å; S1775-G1804 PolarHBondContact OG-N 2.79Å | ||
| 1776 | G | 93.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 15.6 Ų | 15.6 | 13% | 0.134 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -67.3 | 178.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1778 G1779 L1780 | G1776-S1778 VanDerWaalsContact C-N 3.26Å; G1776-S1778 PolarHBondContact O-N 3.02Å; G1776-S1778 VanDerWaalsContact O-N 3.17Å; G1776-G1779 PolarHBondContact O-N 3.22Å; G1776-G1779 VanDerWaalsContact O-N 3.09Å; G1776-L1780 WeakPolarHBondContact O-CG 3.11Å; G1776-L1780 PolarHBondContact O-N 3.24Å |
| 1777 | P | 94.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 14 Ų | 14 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -53.6 | -38.6 | -178.5 | -23.5 | 29.6 | 0 | 0 | 0 | 114.4 | A1781 L1806 V2122 A2125 I2126 | P1777-A1781 VanDerWaalsContact O-CB 3.24Å; P1777-A1781 WeakPolarHBondContact O-CB 3.46Å; P1777-A1781 PolarHBondContact O-N 2.82Å; P1777-L1806 HydrophobicContact CG-CD1 4.07Å; P1777-L1806 HydrophobicContact CG-CD2 4.13Å; P1777-L1806 HydrophobicContact CG-CG 3.9Å; P1777-V2122 HydrophobicContact CB-CG1 4.05Å; P1777-V2122 HydrophobicContact CG-CG1 4Å; P1777-V2122 HydrophobicContact CG-CG2 4.36Å; P1777-A2125 HydrophobicContact CB-CB 3.96Å; P1777-A2125 HydrophobicContact CG-CB 4.49Å; P1777-I2126 HydrophobicContact CB-CG1 3.97Å |
| 1778 | S | 95.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 13.2 Ų | 13.2 | 4% | 0.035 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.3 | -47.4 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | G1776 A1781 C1782 A2125 G2129 | G1776-S1778 VanDerWaalsContact C-N 3.26Å; G1776-S1778 PolarHBondContact O-N 3.02Å; G1776-S1778 VanDerWaalsContact O-N 3.17Å; S1778-A1781 PolarHBondContact O-N 3.4Å; S1778-C1782 VanDerWaalsContact O-CB 3.25Å; S1778-C1782 WeakPolarHBondContact O-CB 3.21Å; S1778-C1782 PolarHBondContact O-N 2.9Å; S1778-A2125 WeakPolarHBondContact CA-O 3.24Å; S1778-A2125 WeakPolarHBondContact CB-O 3.35Å; S1778-G2129 WeakPolarHBondContact O-CA 3.43Å |
| 1779 | G | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.6 | -43.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1774 G1776 C1782 A1783 | G1774-G1779 WeakPolarHBondContact O-CA 3.35Å; G1776-G1779 PolarHBondContact O-N 3.22Å; G1776-G1779 VanDerWaalsContact O-N 3.09Å; G1779-C1782 PolarHBondContact O-N 3.1Å; G1779-A1783 VanDerWaalsContact O-CB 3.3Å; G1779-A1783 WeakPolarHBondContact O-CB 3.45Å; G1779-A1783 PolarHBondContact O-N 2.84Å |
| 1780 | L | 97.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 175.9 | -64.8 | 177.5 | 0 | 0 | 0 | 112.2 | F1711 S1775 G1776 A1783 D1784 L1806 L1824 M1827 F1834 | F1711-L1780 HydrophobicContact CE2-CB 3.89Å; F1711-L1780 HydrophobicContact CZ-CB 3.8Å; S1775-L1780 WeakPolarHBondContact O-CG 3.45Å; G1776-L1780 WeakPolarHBondContact O-CG 3.11Å; G1776-L1780 PolarHBondContact O-N 3.24Å; L1780-A1783 PolarHBondContact O-N 3.46Å; L1780-D1784 WeakPolarHBondContact O-CB 3.36Å; L1780-D1784 PolarHBondContact O-N 3.44Å; L1780-L1806 HydrophobicContact CD1-CD1 4.35Å; L1780-L1824 HydrophobicContact CD1-CD2 4.05Å; L1780-L1824 HydrophobicContact CD2-CD2 3.82Å; L1780-M1827 HydrophobicContact CB-CE 4.28Å; L1780-M1827 HydrophobicContact CD2-CE 4.14Å; L1780-M1827 HydrophobicContact CD2-SD 4.41Å; L1780-M1827 WeakPolarHBondContact O-CE 3.44Å; L1780-F1834 HydrophobicContact CD2-CE1 3.62Å; L1780-F1834 HydrophobicContact CD2-CZ 3.86Å |
| 1781 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1711 P1777 S1778 A1783 Q1785 I2126 R2130 | F1711-A1781 HydrophobicContact CE2-CB 3.91Å; P1777-A1781 VanDerWaalsContact O-CB 3.24Å; P1777-A1781 WeakPolarHBondContact O-CB 3.46Å; P1777-A1781 PolarHBondContact O-N 2.82Å; S1778-A1781 PolarHBondContact O-N 3.4Å; A1781-A1783 VanDerWaalsContact C-N 3.35Å; A1781-Q1785 VanDerWaalsContact O-CG 3.31Å; A1781-Q1785 WeakPolarHBondContact O-CG 3.47Å; A1781-Q1785 PolarHBondContact O-N 2.88Å; A1781-Q1785 VanDerWaalsContact O-N 3.11Å; A1781-I2126 HydrophobicContact CB-CB 4.27Å; A1781-I2126 HydrophobicContact CB-CG2 3.82Å; A1781-R2130 HydrophobicContact CB-CG 4.42Å |
| 1782 | C | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 174.9 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | I1772 S1778 G1779 Q1785 L1786 G2129 | I1772-C1782 HydrophobicContact CD1-CB 3.99Å; S1778-C1782 VanDerWaalsContact O-CB 3.25Å; S1778-C1782 WeakPolarHBondContact O-CB 3.21Å; S1778-C1782 PolarHBondContact O-N 2.9Å; G1779-C1782 PolarHBondContact O-N 3.1Å; C1782-Q1785 PolarHBondContact O-N 3.28Å; C1782-L1786 WeakPolarHBondContact O-CG 3.38Å; C1782-L1786 PolarHBondContact O-N 3.47Å; C1782-G2129 WeakPolarHBondContact CA-O 3.48Å; C1782-G2129 VanDerWaalsContact CB-O 3.31Å; C1782-G2129 WeakPolarHBondContact CB-O 3.49Å |
| 1783 | A | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62 | -48.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1772 G1779 L1780 A1781 Q1785 N1787 V1793 V1795 M1827 V1832 | I1772-A1783 VanDerWaalsContact CD1-CA 3.42Å; I1772-A1783 HydrophobicContact CD1-CB 3.64Å; I1772-A1783 VanDerWaalsContact CD1-N 3.34Å; G1779-A1783 VanDerWaalsContact O-CB 3.3Å; G1779-A1783 WeakPolarHBondContact O-CB 3.45Å; G1779-A1783 PolarHBondContact O-N 2.84Å; L1780-A1783 PolarHBondContact O-N 3.46Å; A1781-A1783 VanDerWaalsContact C-N 3.35Å; A1783-Q1785 VanDerWaalsContact C-N 3.29Å; A1783-Q1785 PolarHBondContact O-N 3.27Å; A1783-N1787 WeakPolarHBondContact O-CB 3.48Å; A1783-N1787 PolarHBondContact O-N 2.99Å; A1783-V1793 HydrophobicContact CB-CG1 3.91Å; A1783-V1795 HydrophobicContact CB-CG2 3.49Å; A1783-V1795 VanDerWaalsContact CB-CG2 3.49Å; A1783-M1827 HydrophobicContact CB-CE 4.19Å; A1783-V1832 HydrophobicContact CB-CG1 4.06Å |
| 1784 | D | 91.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 8.9 Ų | 8.9 | 3% | 0.032 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -58.8 | -40 | 178.4 | -177.1 | 59.5 | 0 | 0 | 0 | 112.1 | N1710 F1711 L1780 K1788 M1827 | N1710-D1784 PolarHBondContact ND2-OD2 2.9Å; F1711-D1784 HydrophobicContact CZ-CB 4.39Å; L1780-D1784 WeakPolarHBondContact O-CB 3.36Å; L1780-D1784 PolarHBondContact O-N 3.44Å; D1784-K1788 WeakPolarHBondContact O-CD 3.16Å; D1784-K1788 VanDerWaalsContact O-CG 3.22Å; D1784-K1788 WeakPolarHBondContact O-CG 3.46Å; D1784-K1788 PolarHBondContact O-N 3.36Å; D1784-K1788 VanDerWaalsContact O-N 3.16Å; D1784-K1788 IonicContact OD1-NZ 3.04Å; D1784-K1788 WeakPolarHBondContact OD2-CE 3.31Å; D1784-K1788 IonicContact OD2-NZ 3.3Å; D1784-K1788 PolarHBondContact OD2-NZ 2.88Å; D1784-M1827 HydrophobicContact CB-CE 4.06Å |
| 1785 | Q | 90.5 | Very high | 92.3 | Very high | 8 Ų | 8 | 8.3 Ų | 8.3 | 4% | 0.037 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -71.7 | -50.9 | 178.9 | -69.2 | -64 | -44 | 0 | 0 | 112.8 | N1710 A1781 C1782 A1783 N1787 K1788 V1789 R2130 A2133 L2146 | N1710-Q1785 PolarHBondContact ND2-NE2 3.15Å; A1781-Q1785 VanDerWaalsContact O-CG 3.31Å; A1781-Q1785 WeakPolarHBondContact O-CG 3.47Å; A1781-Q1785 PolarHBondContact O-N 2.88Å; A1781-Q1785 VanDerWaalsContact O-N 3.11Å; C1782-Q1785 PolarHBondContact O-N 3.28Å; A1783-Q1785 VanDerWaalsContact C-N 3.29Å; A1783-Q1785 PolarHBondContact O-N 3.27Å; Q1785-N1787 PolarHBondContact O-N 3.32Å; Q1785-K1788 WeakPolarHBondContact O-CB 3.19Å; Q1785-K1788 PolarHBondContact O-N 2.87Å; Q1785-V1789 PolarHBondContact O-N 2.87Å; Q1785-R2130 HydrophobicContact CG-CB 4.35Å; Q1785-R2130 HydrophobicContact CG-CG 3.98Å; Q1785-A2133 HydrophobicContact CB-CB 3.61Å; Q1785-A2133 HydrophobicContact CG-CB 4.49Å; Q1785-L2146 HydrophobicContact CB-CD1 4.3Å; Q1785-L2146 HydrophobicContact CB-CD2 4.15Å |
| 1786 | L | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62 | -36.7 | 179.4 | -72.2 | 169.5 | 0 | 0 | 0 | 111.8 | I1770 I1772 C1782 K1788 V1789 G1790 H1791 V1793 A2133 V2136 D2137 | I1770-L1786 HydrophobicContact CB-CD1 4.42Å; I1770-L1786 HydrophobicContact CD1-CB 4.37Å; I1770-L1786 HydrophobicContact CD1-CD1 3.73Å; I1770-L1786 HydrophobicContact CD1-CD2 3.74Å; I1770-L1786 HydrophobicContact CD1-CG 4.15Å; I1770-L1786 HydrophobicContact CG2-CD1 3.84Å; I1772-L1786 HydrophobicContact CD1-CD1 4.25Å; C1782-L1786 WeakPolarHBondContact O-CG 3.38Å; C1782-L1786 PolarHBondContact O-N 3.47Å; L1786-K1788 VanDerWaalsContact C-N 3.3Å; L1786-K1788 PolarHBondContact O-N 3.38Å; L1786-V1789 WeakPolarHBondContact O-CG2 3.41Å; L1786-V1789 PolarHBondContact O-N 3.16Å; L1786-G1790 PolarHBondContact O-N 2.77Å; L1786-H1791 HydrophobicContact CB-CB 4.37Å; L1786-H1791 PolarHBondContact O-N 2.84Å; L1786-V1793 HydrophobicContact CB-CG2 3.64Å; L1786-A2133 HydrophobicContact CD1-CB 4.35Å; L1786-A2133 HydrophobicContact CD2-CB 4.07Å; L1786-A2133 WeakPolarHBondContact CD2-O 3.41Å; L1786-A2133 HydrophobicContact CG-CB 3.7Å; L1786-V2136 HydrophobicContact CD2-CB 4.26Å; L1786-V2136 HydrophobicContact CD2-CG1 4.14Å; L1786-D2137 HydrophobicContact CD2-CB 4.35Å |
| 1787 | N | 89.3 | Confident | 92.2 | Very high | 2 Ų | 2 | 8.1 Ų | 8.1 | 1% | 0.011 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.1 | -33.1 | 175.7 | -170.4 | 36.6 | 0 | 0 | 0 | 112.1 | R1763 A1783 Q1785 V1789 G1790 V1793 N1830 V1832 | R1763-N1787 PolarHBondContact NH1-OD1 3.28Å; R1763-N1787 PolarHBondContact NH2-ND2 3.33Å; R1763-N1787 PolarHBondContact NH2-O 3.42Å; R1763-N1787 PolarHBondContact NH2-OD1 2.77Å; A1783-N1787 WeakPolarHBondContact O-CB 3.48Å; A1783-N1787 PolarHBondContact O-N 2.99Å; Q1785-N1787 PolarHBondContact O-N 3.32Å; N1787-V1789 VanDerWaalsContact C-N 3.32Å; N1787-V1789 PolarHBondContact O-N 2.88Å; N1787-G1790 PolarHBondContact O-N 2.99Å; N1787-V1793 HydrophobicContact CB-CG2 4.18Å; N1787-N1830 PolarHBondContact ND2-O 2.92Å; N1787-V1832 HydrophobicContact CB-CG2 3.94Å; N1787-V1832 WeakPolarHBondContact ND2-CG2 3.19Å |
| 1788 | K | 80.3 | Confident | 91.6 | Very high | 48 Ų | 48 | 10 Ų | 10 | 21% | 0.209 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -67.4 | -27.2 | 175 | -81.3 | 166.2 | 177.1 | 165.4 | 0 | 113.6 | L835 C836 D1784 Q1785 L1786 | L835-K1788 CarbonylContact C-O 3.59Å; L835-K1788 WeakPolarHBondContact CB-O 3.27Å; C836-K1788 WeakPolarHBondContact CA-O 3.26Å; C836-K1788 WeakPolarHBondContact CB-O 3.18Å; C836-K1788 PolarHBondContact N-O 3.27Å; D1784-K1788 WeakPolarHBondContact O-CD 3.16Å; D1784-K1788 VanDerWaalsContact O-CG 3.22Å; D1784-K1788 WeakPolarHBondContact O-CG 3.46Å; D1784-K1788 PolarHBondContact O-N 3.36Å; D1784-K1788 VanDerWaalsContact O-N 3.16Å; D1784-K1788 IonicContact OD1-NZ 3.04Å; D1784-K1788 WeakPolarHBondContact OD2-CE 3.31Å; D1784-K1788 IonicContact OD2-NZ 3.3Å; D1784-K1788 PolarHBondContact OD2-NZ 2.88Å; Q1785-K1788 WeakPolarHBondContact O-CB 3.19Å; Q1785-K1788 PolarHBondContact O-N 2.87Å; L1786-K1788 VanDerWaalsContact C-N 3.3Å; L1786-K1788 PolarHBondContact O-N 3.38Å |
| 1789 | V | 80.1 | Confident | 91.1 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 4% | 0.036 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.1 | 175 | -73.1 | 0 | 0 | 0 | 0 | 113.6 | C836 T1766 Q1785 L1786 N1787 H1791 L2146 | C836-V1789 HydrophobicContact CB-CB 4.47Å; C836-V1789 HydrophobicContact CB-CG1 3.62Å; T1766-V1789 WeakPolarHBondContact CG2-O 3.04Å; Q1785-V1789 PolarHBondContact O-N 2.87Å; L1786-V1789 WeakPolarHBondContact O-CG2 3.41Å; L1786-V1789 PolarHBondContact O-N 3.16Å; N1787-V1789 VanDerWaalsContact C-N 3.32Å; N1787-V1789 PolarHBondContact O-N 2.88Å; V1789-H1791 WeakPolarHBondContact CG2-CD2 3.39Å; V1789-L2146 HydrophobicContact CG1-CD1 4.46Å; V1789-L2146 HydrophobicContact CG1-CD2 3.49Å; V1789-L2146 VanDerWaalsContact CG1-CD2 3.49Å; V1789-L2146 HydrophobicContact CG1-CG 3.71Å; V1789-L2146 HydrophobicContact CG2-CD1 4.25Å; V1789-L2146 HydrophobicContact CG2-CD2 4.35Å; V1789-L2146 HydrophobicContact CG2-CG 4.38Å |
| 1790 | G | 83.2 | Confident | 90.4 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 5% | 0.052 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 9.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1765 T1766 L1786 N1787 | P1765-G1790 VanDerWaalsContact CA-O 3.32Å; P1765-G1790 WeakPolarHBondContact CA-O 3.08Å; T1766-G1790 PolarHBondContact N-O 3.24Å; T1766-G1790 PolarHBondContact OG1-O 3.29Å; L1786-G1790 PolarHBondContact O-N 2.77Å; N1787-G1790 PolarHBondContact O-N 2.99Å |
| 1791 | H | 90.6 | Very high | 90 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | trans | -69.6 | 145.2 | 171.5 | -61.2 | -60.2 | 0 | 0 | 0 | 110.9 | T1766 K1768 I1770 L1786 V1789 V1793 D2137 | T1766-H1791 WeakPolarHBondContact OG1-CA 3.45Å; T1766-H1791 PolarHBondContact OG1-CE1 2.97Å; T1766-H1791 PolarHBondContact OG1-ND1 2.86Å; K1768-H1791 WeakPolarHBondContact CB-ND1 3.5Å; I1770-H1791 HydrophobicContact CD1-CB 3.72Å; I1770-H1791 HydrophobicContact CG1-CB 4.27Å; L1786-H1791 HydrophobicContact CB-CB 4.37Å; L1786-H1791 PolarHBondContact O-N 2.84Å; V1789-H1791 WeakPolarHBondContact CG2-CD2 3.39Å; H1791-V1793 HydrophobicContact CB-CG2 4.2Å; H1791-V1793 PolarHBondContact O-N 3Å; H1791-D2137 IonicContact CD2-OD1 3.26Å; H1791-D2137 IonicContact CE1-OD1 3.3Å; H1791-D2137 IonicContact NE2-OD1 3.38Å; H1791-D2137 PolarHBondContact NE2-OD1 2.94Å | ||
| 1792 | D | 92.9 | Very high | 89.8 | Confident | 53 Ų | 53 | 16 Ų | 16 | 28% | 0.283 | 8% | 0.077 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 107.2 | 170.8 | -179.1 | 33.7 | 0 | 0 | 0 | 108.4 | K1768 R1769 I1770 K1833 | K1768-D1792 PolarHBondContact O-N 2.83Å; R1769-D1792 WeakPolarHBondContact CA-O 3.31Å; R1769-D1792 HydrophobicContact CG-CB 4.25Å; R1769-D1792 IonicContact NE-OD2 2.66Å; I1770-D1792 PolarHBondContact N-O 3.25Å; D1792-K1833 IonicContact OD1-NZ 3.41Å; D1792-K1833 PolarHBondContact OD1-NZ 2.87Å; D1792-K1833 IonicContact OD2-NZ 3.41Å; D1792-K1833 PolarHBondContact OD2-NZ 3.33Å |
| 1793 | V | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.1 | -172 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | I1772 A1783 L1786 N1787 H1791 K1833 | I1772-V1793 HydrophobicContact CD1-CG1 3.54Å; I1772-V1793 HydrophobicContact CG1-CG1 4.15Å; A1783-V1793 HydrophobicContact CB-CG1 3.91Å; L1786-V1793 HydrophobicContact CB-CG2 3.64Å; N1787-V1793 HydrophobicContact CB-CG2 4.18Å; H1791-V1793 HydrophobicContact CB-CG2 4.2Å; H1791-V1793 PolarHBondContact O-N 3Å; V1793-K1833 PolarHBondContact O-N 2.63Å; V1793-K1833 VanDerWaalsContact O-N 3.16Å |
| 1794 | I | 97 | Very high | 89.2 | Confident | 17 Ų | 17 | 16.2 Ų | 16.2 | 9% | 0.087 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.2 | 167.9 | -164.2 | 168.5 | 0 | 0 | 0 | 110.3 | I1770 A1771 I1772 K1833 E1835 W1866 F1875 | I1770-I1794 PolarHBondContact O-N 3.06Å; A1771-I1794 HydrophobicContact CB-CG2 4.16Å; I1772-I1794 PolarHBondContact N-O 2.74Å; I1794-K1833 WeakPolarHBondContact CA-O 3.36Å; I1794-K1833 HydrophobicContact CB-CB 4.42Å; I1794-K1833 HydrophobicContact CG1-CB 4.09Å; I1794-E1835 HydrophobicContact CD1-CB 3.92Å; I1794-E1835 HydrophobicContact CG1-CB 4.09Å; I1794-W1866 HydrophobicContact CD1-CH2 4.12Å; I1794-F1875 HydrophobicContact CG2-CD1 4.34Å; I1794-F1875 HydrophobicContact CG2-CE1 3.35Å; I1794-F1875 HydrophobicContact CG2-CZ 3.6Å |
| 1795 | V | 96.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.3 | 173.2 | -178 | 0 | 0 | 0 | 0 | 108.2 | I1772 A1783 V1832 K1833 F1834 E1835 | I1772-V1795 HydrophobicContact CB-CG2 4.38Å; I1772-V1795 CarbonylContact O-C 3.6Å; I1772-V1795 WeakPolarHBondContact O-CA 3.49Å; A1783-V1795 HydrophobicContact CB-CG2 3.49Å; A1783-V1795 VanDerWaalsContact CB-CG2 3.49Å; V1795-V1832 HydrophobicContact CG2-CG1 3.85Å; V1795-K1833 PolarHBondContact N-O 3.29Å; V1795-F1834 HydrophobicContact CB-CD1 3.76Å; V1795-F1834 HydrophobicContact CB-CE1 3.91Å; V1795-F1834 HydrophobicContact CG1-CD1 4.06Å; V1795-F1834 HydrophobicContact CG1-CE1 4.07Å; V1795-F1834 HydrophobicContact CG2-CD1 4.45Å; V1795-F1834 HydrophobicContact CG2-CE1 4.16Å; V1795-F1834 CarbonylContact O-C 3.56Å; V1795-F1834 WeakPolarHBondContact O-CA 3.41Å; V1795-E1835 PolarHBondContact O-N 2.92Å |
| 1796 | I | 94.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.2 | -178.9 | -54.4 | 168.4 | 0 | 0 | 0 | 108 | A1771 I1772 V1773 G1774 E1835 T1838 V1840 W1866 L1871 | A1771-I1796 HydrophobicContact CB-CD1 4.15Å; I1772-I1796 PolarHBondContact O-N 2.78Å; V1773-I1796 HydrophobicContact CG2-CD1 4.49Å; G1774-I1796 PolarHBondContact N-O 2.95Å; I1796-E1835 WeakPolarHBondContact CA-O 3.36Å; I1796-E1835 HydrophobicContact CG1-CB 4.39Å; I1796-T1838 HydrophobicContact CG2-CG2 3.54Å; I1796-T1838 WeakPolarHBondContact CG2-O 3.4Å; I1796-V1840 HydrophobicContact CB-CG2 4.46Å; I1796-V1840 HydrophobicContact CD1-CG2 4.43Å; I1796-V1840 HydrophobicContact CG2-CG2 3.76Å; I1796-W1866 HydrophobicContact CD1-CE3 3.55Å; I1796-W1866 HydrophobicContact CD1-CH2 4.49Å; I1796-W1866 HydrophobicContact CD1-CZ3 3.46Å; I1796-W1866 VanDerWaalsContact CD1-CZ3 3.46Å; I1796-W1866 HydrophobicContact CG1-CE3 4.4Å; I1796-W1866 HydrophobicContact CG1-CZ3 4.05Å; I1796-L1871 HydrophobicContact CD1-CD2 3.65Å |
| 1797 | E | 90.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 19.5 Ų | 19.5 | 3% | 0.033 | 10% | 0.096 | C | C | . | . | trans | -122.1 | 130.5 | 178.9 | 176.3 | 55.1 | -125.6 | 0 | 0 | 110.2 | S1775 R1799 E1835 L1836 N1837 T1838 | S1775-E1797 VanDerWaalsContact CB-OE2 3.31Å; S1775-E1797 WeakPolarHBondContact CB-OE2 3.16Å; S1775-E1797 PolarHBondContact N-OE2 3.31Å; S1775-E1797 VanDerWaalsContact OG-CD 3.25Å; S1775-E1797 WeakPolarHBondContact OG-CG 3.29Å; S1775-E1797 PolarHBondContact OG-OE2 2.82Å; E1797-R1799 VanDerWaalsContact C-N 3.26Å; E1797-R1799 HydrophobicContact CG-CB 4.19Å; E1797-R1799 PolarHBondContact O-N 2.79Å; E1797-R1799 WeakPolarHBondContact OE1-CG 3.36Å; E1797-R1799 PolarHBondContact OE1-N 3.33Å; E1797-E1835 PolarHBondContact N-O 3.41Å; E1797-L1836 HydrophobicContact CB-CD2 3.96Å; E1797-L1836 HydrophobicContact CG-CD2 4.43Å; E1797-L1836 CarbonylContact O-C 3.55Å; E1797-L1836 WeakPolarHBondContact O-CA 3.48Å; E1797-N1837 PolarHBondContact O-N 3.14Å; E1797-T1838 CarbonylContact C-O 3.58Å; E1797-T1838 PolarHBondContact O-N 3.49Å | ||
| 1798 | R | 84 | Confident | 89.1 | Confident | 50 Ų | 50 | 19.7 Ų | 19.7 | 19% | 0.189 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -71.1 | -21.7 | -179.6 | 69.1 | 179.2 | -178.1 | -154.2 | 5.4 | 113.6 | T1838 R1839 E2077 | R1798-T1838 VanDerWaalsContact CA-O 3.25Å; R1798-T1838 WeakPolarHBondContact CA-O 3.46Å; R1798-T1838 PolarHBondContact N-O 3.02Å; R1798-R1839 HydrophobicContact CB-CB 4.4Å; R1798-E2077 IonicContact CZ-OE1 3.26Å; R1798-E2077 IonicContact NH1-OE1 3.82Å; R1798-E2077 PolarHBondContact NH1-OE1 2.94Å; R1798-E2077 IonicContact NH1-OE2 3.13Å; R1798-E2077 PolarHBondContact NH1-OE2 3.09Å; R1798-E2077 IonicContact NH2-OE1 3.91Å |
| 1799 | R | 83.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 17.5 Ų | 17.5 | 14% | 0.14 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -93.1 | 166.6 | 179.8 | -60.9 | -178.6 | 175.3 | 107.8 | -13.1 | 111.4 | E1797 L1801 Y1808 N1837 E1908 | E1797-R1799 VanDerWaalsContact C-N 3.26Å; E1797-R1799 HydrophobicContact CG-CB 4.19Å; E1797-R1799 PolarHBondContact O-N 2.79Å; E1797-R1799 WeakPolarHBondContact OE1-CG 3.36Å; E1797-R1799 PolarHBondContact OE1-N 3.33Å; R1799-L1801 VanDerWaalsContact C-N 3.27Å; R1799-L1801 PolarHBondContact O-N 3.05Å; R1799-Y1808 HydrophobicContact CB-CE2 3.83Å; R1799-Y1808 HydrophobicContact CG-CE2 4.18Å; R1799-N1837 PolarHBondContact O-N 3.49Å; R1799-E1908 IonicContact CZ-OE1 2.94Å; R1799-E1908 IonicContact CZ-OE2 3.87Å; R1799-E1908 IonicContact NE-OE1 3.7Å; R1799-E1908 PolarHBondContact NE-OE1 2.91Å; R1799-E1908 IonicContact NE-OE2 3.67Å; R1799-E1908 IonicContact NH2-OE1 2.78Å; R1799-E1908 IonicContact NH2-OE2 3.66Å; R1799-E1908 PolarHBondContact NH2-OE2 3.19Å |
| 1800 | N | 82.4 | Confident | 89.9 | Confident | 49 Ų | 49 | 17.9 Ų | 17.9 | 26% | 0.262 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -69.1 | -15.4 | -179.1 | 67.6 | -28.6 | 0 | 0 | 0 | 115.6 | Y1808 L1836 N1837 | N1800-Y1808 PolarHBondContact OD1-OH 3.45Å; N1800-L1836 WeakPolarHBondContact O-CD1 3.25Å; N1800-N1837 WeakPolarHBondContact CA-OD1 3.31Å; N1800-N1837 VanDerWaalsContact CB-OD1 3.3Å; N1800-N1837 WeakPolarHBondContact CB-OD1 3.44Å; N1800-N1837 PolarHBondContact N-OD1 2.78Å |
| 1801 | L | 87.9 | Confident | 90.3 | Very high | 41 Ų | 41 | 17.7 Ų | 17.7 | 22% | 0.215 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -137.5 | 145.4 | 176.8 | -63.1 | 167.2 | 0 | 0 | 0 | 111.2 | R1799 R1807 Y1808 H1915 | R1799-L1801 VanDerWaalsContact C-N 3.27Å; R1799-L1801 PolarHBondContact O-N 3.05Å; L1801-R1807 VanDerWaalsContact CB-CD 3.43Å; L1801-Y1808 WeakPolarHBondContact CB-OH 3.49Å; L1801-Y1808 PolarHBondContact N-OH 3.09Å; L1801-Y1808 WeakPolarHBondContact O-CE2 3.46Å; L1801-Y1808 PolarHBondContact O-OH 3.03Å; L1801-H1915 VanDerWaalsContact CD1-NE2 3.28Å; L1801-H1915 WeakPolarHBondContact CD1-NE2 3.33Å |
| 1802 | P | 91.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 18.1 Ų | 18.1 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -78.4 | 158.2 | 177.3 | 30.2 | -28 | 0 | 0 | 0 | 111.9 | S1775 R1807 L1824 F1834 L1836 | S1775-P1802 WeakPolarHBondContact OG-CA 3.43Å; P1802-R1807 PolarHBondContact O-NE 3.02Å; P1802-L1824 HydrophobicContact CB-CD2 4.39Å; P1802-L1824 HydrophobicContact CG-CD1 4.19Å; P1802-L1824 HydrophobicContact CG-CD2 4.36Å; P1802-F1834 HydrophobicContact CB-CD1 3.46Å; P1802-F1834 VanDerWaalsContact CB-CD1 3.46Å; P1802-F1834 HydrophobicContact CB-CE1 3.64Å; P1802-F1834 HydrophobicContact CB-CG 4.18Å; P1802-F1834 HydrophobicContact CB-CZ 4.48Å; P1802-F1834 HydrophobicContact CG-CD1 3.89Å; P1802-F1834 HydrophobicContact CG-CE1 4.18Å; P1802-F1834 HydrophobicContact CG-CG 4.12Å; P1802-L1836 HydrophobicContact CB-CD2 4.04Å; P1802-L1836 HydrophobicContact CG-CD2 4.08Å |
| 1803 | G | 89.9 | Confident | 90.1 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | 129 | -9.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1775 L1805 L1806 | S1775-G1803 CarbonylContact O-C 3.54Å; S1775-G1803 VanDerWaalsContact O-CA 3.27Å; S1775-G1803 WeakPolarHBondContact O-CA 3.16Å; S1775-G1803 PolarHBondContact O-N 3.13Å; S1775-G1803 PolarHBondContact OG-N 3.26Å; G1803-L1805 PolarHBondContact O-N 3.34Å; G1803-L1806 VanDerWaalsContact O-CB 3.3Å; G1803-L1806 WeakPolarHBondContact O-CB 3.38Å; G1803-L1806 PolarHBondContact O-N 3.3Å | ||
| 1804 | G | 90.3 | Very high | 89.8 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | -127 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1775 L1806 R1807 Y1808 | S1775-G1804 PolarHBondContact O-N 3.02Å; S1775-G1804 PolarHBondContact OG-N 2.79Å; G1804-L1806 VanDerWaalsContact C-N 3.25Å; G1804-L1806 PolarHBondContact O-N 2.93Å; G1804-R1807 PolarHBondContact O-N 3.3Å; G1804-R1807 VanDerWaalsContact O-N 3.16Å; G1804-Y1808 WeakPolarHBondContact O-CD2 3.28Å; G1804-Y1808 PolarHBondContact O-N 3.09Å |
| 1805 | L | 88.9 | Confident | 89.5 | Confident | 74 Ų | 74 | 15.9 Ų | 15.9 | 39% | 0.387 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -57.8 | -33.9 | 178.9 | -172.6 | 76.4 | 0 | 0 | 0 | 113.3 | G1803 R1807 G1809 I1810 M1904 | G1803-L1805 PolarHBondContact O-N 3.34Å; L1805-R1807 PolarHBondContact O-N 3.37Å; L1805-G1809 WeakPolarHBondContact O-CA 3.25Å; L1805-G1809 PolarHBondContact O-N 2.78Å; L1805-I1810 HydrophobicContact CG-CG1 4.45Å; L1805-I1810 PolarHBondContact O-N 2.99Å; L1805-M1904 HydrophobicContact CD1-CE 3.82Å; L1805-M1904 HydrophobicContact CD1-SD 4.37Å |
| 1806 | L | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.4 | -32.5 | -179.6 | -59.3 | 170.7 | 0 | 0 | 0 | 111.6 | F1714 P1777 L1780 G1803 G1804 I1810 L1815 R1817 L1820 V2122 | F1714-L1806 HydrophobicContact CD2-CD1 3.72Å; F1714-L1806 HydrophobicContact CE2-CD1 3.85Å; F1714-L1806 HydrophobicContact CG-CD1 4.5Å; P1777-L1806 HydrophobicContact CG-CD1 4.07Å; P1777-L1806 HydrophobicContact CG-CD2 4.13Å; P1777-L1806 HydrophobicContact CG-CG 3.9Å; L1780-L1806 HydrophobicContact CD1-CD1 4.35Å; G1803-L1806 VanDerWaalsContact O-CB 3.3Å; G1803-L1806 WeakPolarHBondContact O-CB 3.38Å; G1803-L1806 PolarHBondContact O-N 3.3Å; G1804-L1806 VanDerWaalsContact C-N 3.25Å; G1804-L1806 PolarHBondContact O-N 2.93Å; L1806-I1810 HydrophobicContact CD2-CD1 3.99Å; L1806-L1815 HydrophobicContact CB-CD2 4.17Å; L1806-L1815 HydrophobicContact CD2-CD2 4.08Å; L1806-R1817 PolarHBondContact O-NH1 2.55Å; L1806-L1820 HydrophobicContact CB-CD1 4.3Å; L1806-L1820 HydrophobicContact CB-CD2 4.14Å; L1806-L1820 HydrophobicContact CD1-CD1 4.25Å; L1806-V2122 HydrophobicContact CD2-CG1 4.11Å; L1806-V2122 HydrophobicContact CD2-CG2 4.18Å |
| 1807 | R | 91.5 | Very high | 89 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 3% | 0.034 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -91.5 | -43.4 | 180 | -178.9 | 166.8 | -64 | -83.1 | -11 | 113.4 | L1801 P1802 G1804 L1805 R1817 L1820 D1821 | L1801-R1807 VanDerWaalsContact CB-CD 3.43Å; P1802-R1807 PolarHBondContact O-NE 3.02Å; G1804-R1807 PolarHBondContact O-N 3.3Å; G1804-R1807 VanDerWaalsContact O-N 3.16Å; L1805-R1807 PolarHBondContact O-N 3.37Å; R1807-R1817 VanDerWaalsContact O-CZ 3.3Å; R1807-R1817 PolarHBondContact O-NE 2.92Å; R1807-R1817 PolarHBondContact O-NH2 3.39Å; R1807-L1820 HydrophobicContact CB-CD2 3.81Å; R1807-D1821 IonicContact CZ-OD1 2.69Å; R1807-D1821 IonicContact NH1-OD1 3.68Å; R1807-D1821 PolarHBondContact NH1-OD1 3.21Å; R1807-D1821 IonicContact NH2-OD1 2.87Å; R1807-D1821 PolarHBondContact NH2-OD1 2.92Å |
| 1808 | Y | 87.6 | Confident | 88.9 | Confident | 6 Ų | 6 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -105.1 | -20.8 | -168.3 | -62.5 | -75.1 | 0 | 0 | 0 | 113.6 | R1799 N1800 L1801 G1804 E1908 R1912 | R1799-Y1808 HydrophobicContact CB-CE2 3.83Å; R1799-Y1808 HydrophobicContact CG-CE2 4.18Å; N1800-Y1808 PolarHBondContact OD1-OH 3.45Å; L1801-Y1808 WeakPolarHBondContact CB-OH 3.49Å; L1801-Y1808 PolarHBondContact N-OH 3.09Å; L1801-Y1808 WeakPolarHBondContact O-CE2 3.46Å; L1801-Y1808 PolarHBondContact O-OH 3.03Å; G1804-Y1808 WeakPolarHBondContact O-CD2 3.28Å; G1804-Y1808 PolarHBondContact O-N 3.09Å; Y1808-E1908 HydrophobicContact CD1-CG 4.14Å; Y1808-E1908 HydrophobicContact CG-CG 4.41Å; Y1808-E1908 WeakPolarHBondContact O-CA 3.29Å; Y1808-E1908 PolarHBondContact O-N 3.25Å; Y1808-R1912 HydrophobicContact CD1-CG 4.11Å; Y1808-R1912 HydrophobicContact CE1-CG 4.02Å |
| 1809 | G | 87.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -56.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1805 P1811 | L1805-G1809 WeakPolarHBondContact O-CA 3.25Å; L1805-G1809 PolarHBondContact O-N 2.78Å; G1809-P1811 WeakPolarHBondContact O-CD 3.27Å |
| 1810 | I | 90.6 | Very high | 89.7 | Confident | 14 Ų | 14 | 18.6 Ų | 18.6 | 7% | 0.072 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -76.3 | 125 | -174.4 | -67 | 163.9 | 0 | 0 | 0 | 109.7 | V1718 L1805 L1806 K1814 L1815 R1817 V2122 | V1718-I1810 HydrophobicContact CB-CD1 4.28Å; V1718-I1810 HydrophobicContact CG1-CD1 4.21Å; V1718-I1810 HydrophobicContact CG1-CG2 3.91Å; V1718-I1810 HydrophobicContact CG2-CD1 4.29Å; L1805-I1810 HydrophobicContact CG-CG1 4.45Å; L1805-I1810 PolarHBondContact O-N 2.99Å; L1806-I1810 HydrophobicContact CD2-CD1 3.99Å; I1810-K1814 HydrophobicContact CG2-CB 3.95Å; I1810-K1814 HydrophobicContact CG2-CD 4.11Å; I1810-K1814 HydrophobicContact CG2-CG 4.36Å; I1810-L1815 HydrophobicContact CG2-CB 4.07Å; I1810-R1817 PolarHBondContact O-NH1 3.38Å; I1810-R1817 PolarHBondContact O-NH2 2.77Å; I1810-V2122 HydrophobicContact CD1-CG2 4.14Å |
| 1811 | P | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -64.4 | 151.2 | -176.4 | -23.2 | 32.9 | 0 | 0 | 0 | 115.7 | G1809 M1813 K1814 L1815 L1907 D1957 | G1809-P1811 WeakPolarHBondContact O-CD 3.27Å; P1811-M1813 VanDerWaalsContact C-N 3.26Å; P1811-M1813 HydrophobicContact CB-CE 3.59Å; P1811-M1813 HydrophobicContact CB-CG 4.09Å; P1811-M1813 HydrophobicContact CB-SD 4.35Å; P1811-M1813 HydrophobicContact CG-CE 3.95Å; P1811-M1813 PolarHBondContact O-N 3.4Å; P1811-K1814 WeakPolarHBondContact O-CB 3.49Å; P1811-K1814 PolarHBondContact O-N 2.96Å; P1811-L1815 PolarHBondContact O-N 2.92Å; P1811-L1815 VanDerWaalsContact O-N 3.15Å; P1811-L1907 HydrophobicContact CG-CD2 4.36Å; P1811-D1957 VanDerWaalsContact CD-OD2 3.22Å; P1811-D1957 WeakPolarHBondContact CD-OD2 3.42Å; P1811-D1957 HydrophobicContact CG-CB 3.75Å | ||
| 1812 | T | 89.9 | Confident | 90.4 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 7% | 0.067 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.9 | 178.4 | -54 | 0 | 0 | 0 | 0 | 113.8 | K1814 L1815 S1816 R1817 Q1911 Q1914 | T1812-K1814 PolarHBondContact O-N 3.17Å; T1812-K1814 VanDerWaalsContact O-N 3.16Å; T1812-L1815 CarbonylContact O-C 3.53Å; T1812-L1815 PolarHBondContact O-N 3.44Å; T1812-S1816 PolarHBondContact O-N 2.98Å; T1812-R1817 HydrophobicContact CG2-CG 4.33Å; T1812-Q1911 PolarHBondContact OG1-OE1 3.01Å; T1812-Q1914 PolarHBondContact OG1-OE1 3.21Å |
| 1813 | M | 90 | Very high | 90.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.6 | 177.2 | 64.4 | -144.7 | 172 | 0 | 0 | 114.5 | W1646 E1648 V1649 P1811 A1960 T1961 R1964 Y2001 | W1646-M1813 HydrophobicContact CE3-SD 3.59Å; W1646-M1813 VanDerWaalsContact CE3-SD 3.59Å; W1646-M1813 HydrophobicContact CZ3-CE 4.03Å; W1646-M1813 HydrophobicContact CZ3-SD 3.58Å; W1646-M1813 VanDerWaalsContact CZ3-SD 3.58Å; W1646-M1813 WeakPolarHBondContact O-CA 3.47Å; E1648-M1813 CarbonylContact C-O 3.52Å; E1648-M1813 VanDerWaalsContact CA-O 3.3Å; E1648-M1813 WeakPolarHBondContact CA-O 3.47Å; V1649-M1813 HydrophobicContact CG1-CB 4.29Å; V1649-M1813 HydrophobicContact CG1-CG 4.49Å; V1649-M1813 WeakPolarHBondContact CG1-O 3.49Å; V1649-M1813 PolarHBondContact N-O 2.93Å; P1811-M1813 VanDerWaalsContact C-N 3.26Å; P1811-M1813 HydrophobicContact CB-CE 3.59Å; P1811-M1813 HydrophobicContact CB-CG 4.09Å; P1811-M1813 HydrophobicContact CB-SD 4.35Å; P1811-M1813 HydrophobicContact CG-CE 3.95Å; P1811-M1813 PolarHBondContact O-N 3.4Å; M1813-A1960 HydrophobicContact CE-CB 3.59Å; M1813-T1961 WeakPolarHBondContact CE-OG1 3.41Å; M1813-R1964 VanDerWaalsContact SD-CD 3.56Å; M1813-R1964 PolarHBondContact SD-NE 3.29Å; M1813-R1964 VanDerWaalsContact SD-NE 3.37Å; M1813-R1964 PolarHBondContact SD-NH1 3.45Å; M1813-Y2001 HydrophobicContact CE-CE2 4.17Å; M1813-Y2001 HydrophobicContact CG-CE2 4.34Å |
| 1814 | K | 88.9 | Confident | 90.6 | Very high | 23 Ų | 23 | 19.8 Ų | 19.8 | 10% | 0.1 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -34.5 | 176.5 | -156.2 | 178.7 | -143.3 | 167.9 | 0 | 111.8 | I1810 P1811 T1812 D1957 Y2001 | I1810-K1814 HydrophobicContact CG2-CB 3.95Å; I1810-K1814 HydrophobicContact CG2-CD 4.11Å; I1810-K1814 HydrophobicContact CG2-CG 4.36Å; P1811-K1814 WeakPolarHBondContact O-CB 3.49Å; P1811-K1814 PolarHBondContact O-N 2.96Å; T1812-K1814 PolarHBondContact O-N 3.17Å; T1812-K1814 VanDerWaalsContact O-N 3.16Å; K1814-D1957 IonicContact NZ-OD1 2.77Å; K1814-D1957 PolarHBondContact NZ-OD1 2.98Å; K1814-D1957 IonicContact NZ-OD2 3.62Å; K1814-Y2001 HydrophobicContact CD-CE1 4.37Å |
| 1815 | L | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -140.8 | 107.8 | 174.2 | 177.1 | 63 | 0 | 0 | 0 | 109.8 | F1714 R1717 V1718 L1806 I1810 P1811 T1812 R1817 V1819 | F1714-L1815 HydrophobicContact CD1-CD1 4.07Å; F1714-L1815 HydrophobicContact CD1-CD2 4.46Å; R1717-L1815 HydrophobicContact CB-CD1 4.37Å; V1718-L1815 HydrophobicContact CG1-CB 3.69Å; V1718-L1815 HydrophobicContact CG1-CD2 4.22Å; V1718-L1815 HydrophobicContact CG1-CG 4.37Å; L1806-L1815 HydrophobicContact CB-CD2 4.17Å; L1806-L1815 HydrophobicContact CD2-CD2 4.08Å; I1810-L1815 HydrophobicContact CG2-CB 4.07Å; P1811-L1815 PolarHBondContact O-N 2.92Å; P1811-L1815 VanDerWaalsContact O-N 3.15Å; T1812-L1815 CarbonylContact O-C 3.53Å; T1812-L1815 PolarHBondContact O-N 3.44Å; L1815-R1817 PolarHBondContact O-N 3.42Å; L1815-R1817 PolarHBondContact O-NH1 2.98Å; L1815-R1817 VanDerWaalsContact O-NH1 3.07Å; L1815-V1819 HydrophobicContact CD1-CB 4.42Å; L1815-V1819 HydrophobicContact CD1-CG1 4.24Å |
| 1816 | S | 90 | Very high | 90.8 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | trans | -56.9 | 137.9 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | E1648 T1812 E1818 V1819 L1820 | E1648-S1816 WeakPolarHBondContact OE1-CB 3.49Å; E1648-S1816 PolarHBondContact OE1-N 3.05Å; T1812-S1816 PolarHBondContact O-N 2.98Å; S1816-E1818 VanDerWaalsContact C-N 3.26Å; S1816-E1818 PolarHBondContact O-N 3.17Å; S1816-E1818 PolarHBondContact OG-N 2.72Å; S1816-V1819 PolarHBondContact O-N 3.11Å; S1816-L1820 PolarHBondContact O-N 2.67Å | ||
| 1817 | R | 89.8 | Confident | 90.8 | Very high | 15 Ų | 15 | 21.2 Ų | 21.2 | 6% | 0.057 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.1 | -28.9 | 177.1 | -61.3 | -58.2 | 174.7 | -126.4 | 8 | 112.5 | L1806 R1807 I1810 T1812 L1815 V1819 L1820 D1821 | L1806-R1817 PolarHBondContact O-NH1 2.55Å; R1807-R1817 VanDerWaalsContact O-CZ 3.3Å; R1807-R1817 PolarHBondContact O-NE 2.92Å; R1807-R1817 PolarHBondContact O-NH2 3.39Å; I1810-R1817 PolarHBondContact O-NH1 3.38Å; I1810-R1817 PolarHBondContact O-NH2 2.77Å; T1812-R1817 HydrophobicContact CG2-CG 4.33Å; L1815-R1817 PolarHBondContact O-N 3.42Å; L1815-R1817 PolarHBondContact O-NH1 2.98Å; L1815-R1817 VanDerWaalsContact O-NH1 3.07Å; R1817-V1819 VanDerWaalsContact C-N 3.29Å; R1817-V1819 PolarHBondContact O-N 3.26Å; R1817-L1820 PolarHBondContact O-N 3.43Å; R1817-D1821 WeakPolarHBondContact O-CB 3.38Å; R1817-D1821 PolarHBondContact O-N 2.8Å; R1817-D1821 VanDerWaalsContact O-OD2 3.13Å |
| 1818 | E | 89.3 | Confident | 90.8 | Very high | 112 Ų | 112 | 25.5 Ų | 25.5 | 52% | 0.523 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.3 | -38.2 | 174.2 | -74.9 | 153.3 | -135 | 0 | 0 | 111.8 | S1816 L1820 D1821 R1822 R1918 | S1816-E1818 VanDerWaalsContact C-N 3.26Å; S1816-E1818 PolarHBondContact O-N 3.17Å; S1816-E1818 PolarHBondContact OG-N 2.72Å; E1818-L1820 VanDerWaalsContact C-N 3.33Å; E1818-L1820 PolarHBondContact O-N 2.68Å; E1818-D1821 PolarHBondContact O-N 2.82Å; E1818-R1822 WeakPolarHBondContact O-CB 3.48Å; E1818-R1822 WeakPolarHBondContact O-CG 3.31Å; E1818-R1822 PolarHBondContact O-N 2.93Å; E1818-R1918 IonicContact OE1-CZ 3.16Å; E1818-R1918 IonicContact OE1-NH1 3.26Å; E1818-R1918 PolarHBondContact OE1-NH1 2.9Å; E1818-R1918 IonicContact OE1-NH2 3.12Å; E1818-R1918 PolarHBondContact OE1-NH2 3.07Å |
| 1819 | V | 91 | Very high | 90.8 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 7% | 0.073 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.4 | -35.5 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | E1713 F1714 L1815 S1816 R1817 R1822 | E1713-V1819 HydrophobicContact CB-CG1 3.88Å; E1713-V1819 HydrophobicContact CG-CG1 3.7Å; F1714-V1819 HydrophobicContact CD1-CG1 4.29Å; F1714-V1819 HydrophobicContact CE1-CG1 4.22Å; L1815-V1819 HydrophobicContact CD1-CB 4.42Å; L1815-V1819 HydrophobicContact CD1-CG1 4.24Å; S1816-V1819 PolarHBondContact O-N 3.11Å; R1817-V1819 VanDerWaalsContact C-N 3.29Å; R1817-V1819 PolarHBondContact O-N 3.26Å; V1819-R1822 VanDerWaalsContact O-CG 3.32Å; V1819-R1822 WeakPolarHBondContact O-CG 3.46Å |
| 1820 | L | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.7 | -47.7 | 174.1 | 177.5 | 59.5 | 0 | 0 | 0 | 111.7 | F1714 L1806 R1807 S1816 R1817 E1818 R1822 R1823 L1824 | F1714-L1820 HydrophobicContact CE1-CB 4.47Å; F1714-L1820 HydrophobicContact CE1-CD1 4.18Å; F1714-L1820 HydrophobicContact CE2-CD1 4.14Å; F1714-L1820 HydrophobicContact CZ-CD1 3.63Å; L1806-L1820 HydrophobicContact CB-CD1 4.3Å; L1806-L1820 HydrophobicContact CB-CD2 4.14Å; L1806-L1820 HydrophobicContact CD1-CD1 4.25Å; R1807-L1820 HydrophobicContact CB-CD2 3.81Å; S1816-L1820 PolarHBondContact O-N 2.67Å; R1817-L1820 PolarHBondContact O-N 3.43Å; E1818-L1820 VanDerWaalsContact C-N 3.33Å; E1818-L1820 PolarHBondContact O-N 2.68Å; L1820-R1822 PolarHBondContact O-N 3.45Å; L1820-R1823 PolarHBondContact O-N 2.68Å; L1820-L1824 HydrophobicContact CD1-CD1 3.86Å; L1820-L1824 HydrophobicContact CD1-CG 4.07Å; L1820-L1824 HydrophobicContact CD2-CD1 4.41Å; L1820-L1824 HydrophobicContact CG-CD1 3.74Å; L1820-L1824 HydrophobicContact CG-CG 4.38Å; L1820-L1824 WeakPolarHBondContact O-CG 3.41Å; L1820-L1824 PolarHBondContact O-N 2.95Å |
| 1821 | D | 92 | Very high | 90.5 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 27% | 0.267 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | -177.8 | -73.2 | -33 | 0 | 0 | 0 | 111.3 | R1807 R1817 E1818 R1823 L1824 N1825 | R1807-D1821 IonicContact CZ-OD1 2.69Å; R1807-D1821 IonicContact NH1-OD1 3.68Å; R1807-D1821 PolarHBondContact NH1-OD1 3.21Å; R1807-D1821 IonicContact NH2-OD1 2.87Å; R1807-D1821 PolarHBondContact NH2-OD1 2.92Å; R1817-D1821 WeakPolarHBondContact O-CB 3.38Å; R1817-D1821 PolarHBondContact O-N 2.8Å; R1817-D1821 VanDerWaalsContact O-OD2 3.13Å; E1818-D1821 PolarHBondContact O-N 2.82Å; D1821-R1823 VanDerWaalsContact C-N 3.29Å; D1821-R1823 PolarHBondContact O-N 3.3Å; D1821-L1824 PolarHBondContact O-N 2.93Å; D1821-N1825 VanDerWaalsContact O-CB 3.31Å; D1821-N1825 WeakPolarHBondContact O-CB 3.28Å; D1821-N1825 PolarHBondContact O-N 3.43Å; D1821-N1825 PolarHBondContact O-ND2 3.17Å |
| 1822 | R | 92.5 | Very high | 90.6 | Very high | 45 Ų | 45 | 29 Ų | 29 | 17% | 0.17 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 178 | 76.7 | -179.6 | -180 | -178 | -4.2 | 112.7 | D1747 W1750 E1818 V1819 L1820 L1826 | D1747-R1822 IonicContact OD1-NH2 3.78Å; D1747-R1822 PolarHBondContact OD1-NH2 3.34Å; D1747-R1822 VanDerWaalsContact OD1-NH2 3.13Å; W1750-R1822 HydrophobicContact CE3-CG 4.43Å; W1750-R1822 VanDerWaalsContact CG-NH1 3.3Å; W1750-R1822 HydrophobicContact CH2-CB 3.64Å; W1750-R1822 HydrophobicContact CH2-CG 4.04Å; W1750-R1822 HydrophobicContact CZ2-CB 3.69Å; W1750-R1822 HydrophobicContact CZ2-CG 4.15Å; W1750-R1822 HydrophobicContact CZ3-CB 4.26Å; W1750-R1822 HydrophobicContact CZ3-CG 4.17Å; E1818-R1822 WeakPolarHBondContact O-CB 3.48Å; E1818-R1822 WeakPolarHBondContact O-CG 3.31Å; E1818-R1822 PolarHBondContact O-N 2.93Å; V1819-R1822 VanDerWaalsContact O-CG 3.32Å; V1819-R1822 WeakPolarHBondContact O-CG 3.46Å; L1820-R1822 PolarHBondContact O-N 3.45Å; R1822-L1826 WeakPolarHBondContact O-CB 3.36Å; R1822-L1826 PolarHBondContact O-N 2.89Å |
| 1823 | R | 92.8 | Very high | 90.8 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 8% | 0.075 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.8 | -43.3 | 178 | 176.7 | 57.8 | 65 | 176.2 | 3.5 | 111.8 | F1711 E1713 F1714 L1820 D1821 N1825 L1826 M1827 | F1711-R1823 HydrophobicContact CD1-CG 3.77Å; F1711-R1823 HydrophobicContact CE1-CG 3.95Å; E1713-R1823 VanDerWaalsContact CD-NH2 3.29Å; E1713-R1823 IonicContact OE1-CZ 3.75Å; E1713-R1823 IonicContact OE1-NE 2.81Å; E1713-R1823 PolarHBondContact OE1-NE 3.28Å; E1713-R1823 IonicContact OE1-NH2 3.64Å; E1713-R1823 PolarHBondContact OE1-NH2 2.86Å; E1713-R1823 IonicContact OE2-CZ 3.78Å; E1713-R1823 IonicContact OE2-NH2 3.99Å; E1713-R1823 PolarHBondContact OE2-NH2 3.31Å; F1714-R1823 HydrophobicContact CE1-CB 4.33Å; F1714-R1823 HydrophobicContact CE2-CG 4.3Å; F1714-R1823 HydrophobicContact CZ-CB 3.75Å; F1714-R1823 HydrophobicContact CZ-CG 3.83Å; L1820-R1823 PolarHBondContact O-N 2.68Å; D1821-R1823 VanDerWaalsContact C-N 3.29Å; D1821-R1823 PolarHBondContact O-N 3.3Å; R1823-N1825 VanDerWaalsContact C-N 3.28Å; R1823-N1825 PolarHBondContact O-N 3.36Å; R1823-L1826 WeakPolarHBondContact O-CB 3.4Å; R1823-L1826 PolarHBondContact O-N 3.11Å; R1823-M1827 HydrophobicContact CG-SD 4.46Å; R1823-M1827 WeakPolarHBondContact O-CG 3.42Å; R1823-M1827 PolarHBondContact O-N 3.2Å |
| 1824 | L | 93.6 | Very high | 91 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.9 | -69.7 | 168.9 | 0 | 0 | 0 | 111.2 | L1780 P1802 L1820 D1821 M1827 K1828 F1834 | L1780-L1824 HydrophobicContact CD1-CD2 4.05Å; L1780-L1824 HydrophobicContact CD2-CD2 3.82Å; P1802-L1824 HydrophobicContact CB-CD2 4.39Å; P1802-L1824 HydrophobicContact CG-CD1 4.19Å; P1802-L1824 HydrophobicContact CG-CD2 4.36Å; L1820-L1824 HydrophobicContact CD1-CD1 3.86Å; L1820-L1824 HydrophobicContact CD1-CG 4.07Å; L1820-L1824 HydrophobicContact CD2-CD1 4.41Å; L1820-L1824 HydrophobicContact CG-CD1 3.74Å; L1820-L1824 HydrophobicContact CG-CG 4.38Å; L1820-L1824 WeakPolarHBondContact O-CG 3.41Å; L1820-L1824 PolarHBondContact O-N 2.95Å; D1821-L1824 PolarHBondContact O-N 2.93Å; L1824-M1827 PolarHBondContact O-N 3.45Å; L1824-K1828 WeakPolarHBondContact O-CG 3.48Å; L1824-K1828 PolarHBondContact O-N 2.89Å; L1824-F1834 HydrophobicContact CD2-CE1 4.4Å; L1824-F1834 HydrophobicContact CD2-CZ 3.98Å |
| 1825 | N | 92.6 | Very high | 91.2 | Very high | 93 Ų | 93 | 36.8 Ų | 36.8 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.2 | -69.4 | -17.7 | 0 | 0 | 0 | 111.5 | D1821 R1823 M1827 K1828 A1829 | D1821-N1825 VanDerWaalsContact O-CB 3.31Å; D1821-N1825 WeakPolarHBondContact O-CB 3.28Å; D1821-N1825 PolarHBondContact O-N 3.43Å; D1821-N1825 PolarHBondContact O-ND2 3.17Å; R1823-N1825 VanDerWaalsContact C-N 3.28Å; R1823-N1825 PolarHBondContact O-N 3.36Å; N1825-M1827 PolarHBondContact O-N 2.85Å; N1825-K1828 PolarHBondContact O-N 2.83Å; N1825-A1829 WeakPolarHBondContact O-CB 3.41Å; N1825-A1829 PolarHBondContact O-N 3.41Å |
| 1826 | L | 90.2 | Very high | 91.2 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 172.8 | 179.2 | 60.8 | 0 | 0 | 0 | 112.1 | L1755 P1757 R1822 R1823 A1829 N1830 | L1755-L1826 HydrophobicContact CB-CD2 4.37Å; P1757-L1826 HydrophobicContact CB-CD1 4.29Å; P1757-L1826 HydrophobicContact CG-CD1 3.93Å; R1822-L1826 WeakPolarHBondContact O-CB 3.36Å; R1822-L1826 PolarHBondContact O-N 2.89Å; R1823-L1826 WeakPolarHBondContact O-CB 3.4Å; R1823-L1826 PolarHBondContact O-N 3.11Å; L1826-A1829 PolarHBondContact O-N 3.15Å; L1826-N1830 WeakPolarHBondContact O-CB 3.46Å; L1826-N1830 VanDerWaalsContact O-CG 3.3Å; L1826-N1830 PolarHBondContact O-N 2.88Å; L1826-N1830 PolarHBondContact O-ND2 2.89Å |
| 1827 | M | 92.1 | Very high | 91 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.8 | -71.4 | 177.9 | 67.3 | 0 | 0 | 112.4 | F1711 L1780 A1783 D1784 R1823 L1824 N1825 N1830 G1831 V1832 F1834 | F1711-M1827 HydrophobicContact CE1-SD 3.96Å; F1711-M1827 HydrophobicContact CZ-SD 4.12Å; L1780-M1827 HydrophobicContact CB-CE 4.28Å; L1780-M1827 HydrophobicContact CD2-CE 4.14Å; L1780-M1827 HydrophobicContact CD2-SD 4.41Å; L1780-M1827 WeakPolarHBondContact O-CE 3.44Å; A1783-M1827 HydrophobicContact CB-CE 4.19Å; D1784-M1827 HydrophobicContact CB-CE 4.06Å; R1823-M1827 HydrophobicContact CG-SD 4.46Å; R1823-M1827 WeakPolarHBondContact O-CG 3.42Å; R1823-M1827 PolarHBondContact O-N 3.2Å; L1824-M1827 PolarHBondContact O-N 3.45Å; N1825-M1827 PolarHBondContact O-N 2.85Å; M1827-N1830 CarbonylContact O-C 3.55Å; M1827-N1830 PolarHBondContact O-N 3.35Å; M1827-G1831 PolarHBondContact O-N 2.86Å; M1827-V1832 HydrophobicContact CB-CB 4.33Å; M1827-V1832 HydrophobicContact CB-CG2 4.18Å; M1827-V1832 HydrophobicContact CE-CG1 4.43Å; M1827-V1832 HydrophobicContact CE-CG2 4.13Å; M1827-V1832 WeakPolarHBondContact O-CB 3.17Å; M1827-V1832 PolarHBondContact O-N 2.77Å; M1827-F1834 HydrophobicContact CE-CZ 4.4Å |
| 1828 | K | 92.1 | Very high | 90.8 | Very high | 99 Ų | 99 | 39.2 Ų | 39.2 | 43% | 0.43 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 173.4 | -75.9 | 178.4 | -179.6 | 179.7 | 0 | 111.6 | L1824 N1825 N1830 G1831 F1834 | L1824-K1828 WeakPolarHBondContact O-CG 3.48Å; L1824-K1828 PolarHBondContact O-N 2.89Å; N1825-K1828 PolarHBondContact O-N 2.83Å; K1828-N1830 PolarHBondContact O-N 2.98Å; K1828-G1831 PolarHBondContact O-N 3.44Å; K1828-F1834 HydrophobicContact CD-CD2 4.29Å; K1828-F1834 HydrophobicContact CG-CD2 3.66Å; K1828-F1834 HydrophobicContact CG-CE2 3.73Å |
| 1829 | A | 87.9 | Confident | 90.4 | Very high | 52 Ų | 52 | 34.9 Ų | 34.9 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.9 | -30.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | P1757 N1825 L1826 G1831 | P1757-A1829 HydrophobicContact CB-CB 3.78Å; P1757-A1829 HydrophobicContact CG-CB 3.69Å; N1825-A1829 WeakPolarHBondContact O-CB 3.41Å; N1825-A1829 PolarHBondContact O-N 3.41Å; L1826-A1829 PolarHBondContact O-N 3.15Å; A1829-G1831 PolarHBondContact O-N 2.77Å |
| 1830 | N | 84.7 | Confident | 89.9 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 9.7 | 169.2 | -73.8 | -31.6 | 0 | 0 | 0 | 113.2 | P1757 I1758 R1763 N1787 L1826 M1827 K1828 | P1757-N1830 VanDerWaalsContact CA-OD1 3.28Å; P1757-N1830 WeakPolarHBondContact CA-OD1 3.42Å; I1758-N1830 PolarHBondContact N-OD1 2.72Å; R1763-N1830 PolarHBondContact NE-O 2.84Å; R1763-N1830 PolarHBondContact NH1-O 3.2Å; R1763-N1830 PolarHBondContact NH2-O 2.83Å; N1787-N1830 PolarHBondContact ND2-O 2.92Å; L1826-N1830 WeakPolarHBondContact O-CB 3.46Å; L1826-N1830 VanDerWaalsContact O-CG 3.3Å; L1826-N1830 PolarHBondContact O-N 2.88Å; L1826-N1830 PolarHBondContact O-ND2 2.89Å; M1827-N1830 CarbonylContact O-C 3.55Å; M1827-N1830 PolarHBondContact O-N 3.35Å; K1828-N1830 PolarHBondContact O-N 2.98Å |
| 1831 | G | 87.1 | Confident | 88.8 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 27% | 0.268 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.2 | 7.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | M1827 K1828 A1829 K1833 | M1827-G1831 PolarHBondContact O-N 2.86Å; K1828-G1831 PolarHBondContact O-N 3.44Å; A1829-G1831 PolarHBondContact O-N 2.77Å; G1831-K1833 PolarHBondContact O-N 3.21Å |
| 1832 | V | 91.7 | Very high | 87.4 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | trans | -71.6 | 122 | 169.2 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | A1783 N1787 V1795 M1827 F1834 | A1783-V1832 HydrophobicContact CB-CG1 4.06Å; N1787-V1832 HydrophobicContact CB-CG2 3.94Å; N1787-V1832 WeakPolarHBondContact ND2-CG2 3.19Å; V1795-V1832 HydrophobicContact CG2-CG1 3.85Å; M1827-V1832 HydrophobicContact CB-CB 4.33Å; M1827-V1832 HydrophobicContact CB-CG2 4.18Å; M1827-V1832 HydrophobicContact CE-CG1 4.43Å; M1827-V1832 HydrophobicContact CE-CG2 4.13Å; M1827-V1832 WeakPolarHBondContact O-CB 3.17Å; M1827-V1832 PolarHBondContact O-N 2.77Å; V1832-F1834 HydrophobicContact CB-CE2 4.24Å; V1832-F1834 HydrophobicContact CG1-CD2 4.43Å; V1832-F1834 HydrophobicContact CG1-CE2 3.89Å; V1832-F1834 HydrophobicContact CG1-CZ 3.95Å | ||
| 1833 | K | 95 | Very high | 85.7 | Confident | 107 Ų | 107 | 37.9 Ų | 37.9 | 47% | 0.465 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138.6 | 175.9 | -65.6 | 168.6 | -172.6 | 150.6 | 0 | 110.3 | D1792 V1793 I1794 V1795 G1831 | D1792-K1833 IonicContact OD1-NZ 3.41Å; D1792-K1833 PolarHBondContact OD1-NZ 2.87Å; D1792-K1833 IonicContact OD2-NZ 3.41Å; D1792-K1833 PolarHBondContact OD2-NZ 3.33Å; V1793-K1833 PolarHBondContact O-N 2.63Å; V1793-K1833 VanDerWaalsContact O-N 3.16Å; I1794-K1833 WeakPolarHBondContact CA-O 3.36Å; I1794-K1833 HydrophobicContact CB-CB 4.42Å; I1794-K1833 HydrophobicContact CG1-CB 4.09Å; V1795-K1833 PolarHBondContact N-O 3.29Å; G1831-K1833 PolarHBondContact O-N 3.21Å |
| 1834 | F | 94.3 | Very high | 84 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115 | 175.5 | -70 | -85.2 | 0 | 0 | 0 | 109.5 | L1780 V1795 P1802 L1824 M1827 K1828 V1832 L1836 | L1780-F1834 HydrophobicContact CD2-CE1 3.62Å; L1780-F1834 HydrophobicContact CD2-CZ 3.86Å; V1795-F1834 HydrophobicContact CB-CD1 3.76Å; V1795-F1834 HydrophobicContact CB-CE1 3.91Å; V1795-F1834 HydrophobicContact CG1-CD1 4.06Å; V1795-F1834 HydrophobicContact CG1-CE1 4.07Å; V1795-F1834 HydrophobicContact CG2-CD1 4.45Å; V1795-F1834 HydrophobicContact CG2-CE1 4.16Å; V1795-F1834 CarbonylContact O-C 3.56Å; V1795-F1834 WeakPolarHBondContact O-CA 3.41Å; P1802-F1834 HydrophobicContact CB-CD1 3.46Å; P1802-F1834 VanDerWaalsContact CB-CD1 3.46Å; P1802-F1834 HydrophobicContact CB-CE1 3.64Å; P1802-F1834 HydrophobicContact CB-CG 4.18Å; P1802-F1834 HydrophobicContact CB-CZ 4.48Å; P1802-F1834 HydrophobicContact CG-CD1 3.89Å; P1802-F1834 HydrophobicContact CG-CE1 4.18Å; P1802-F1834 HydrophobicContact CG-CG 4.12Å; L1824-F1834 HydrophobicContact CD2-CE1 4.4Å; L1824-F1834 HydrophobicContact CD2-CZ 3.98Å; M1827-F1834 HydrophobicContact CE-CZ 4.4Å; K1828-F1834 HydrophobicContact CD-CD2 4.29Å; K1828-F1834 HydrophobicContact CG-CD2 3.66Å; K1828-F1834 HydrophobicContact CG-CE2 3.73Å; V1832-F1834 HydrophobicContact CB-CE2 4.24Å; V1832-F1834 HydrophobicContact CG1-CD2 4.43Å; V1832-F1834 HydrophobicContact CG1-CE2 3.89Å; V1832-F1834 HydrophobicContact CG1-CZ 3.95Å; F1834-L1836 HydrophobicContact CB-CD2 3.98Å; F1834-L1836 HydrophobicContact CB-CG 4.3Å |
| 1835 | E | 93.5 | Very high | 82.1 | Confident | 62 Ų | 62 | 46.4 Ų | 46.4 | 29% | 0.29 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 101.5 | 172.2 | -168.2 | 66 | -155.5 | 0 | 0 | 108.1 | I1794 V1795 I1796 E1797 T1838 W1866 | I1794-E1835 HydrophobicContact CD1-CB 3.92Å; I1794-E1835 HydrophobicContact CG1-CB 4.09Å; V1795-E1835 PolarHBondContact O-N 2.92Å; I1796-E1835 WeakPolarHBondContact CA-O 3.36Å; I1796-E1835 HydrophobicContact CG1-CB 4.39Å; E1797-E1835 PolarHBondContact N-O 3.41Å; E1835-T1838 HydrophobicContact CG-CG2 4.23Å; E1835-T1838 WeakPolarHBondContact CG-OG1 3.26Å; E1835-W1866 HydrophobicContact CG-CH2 4.05Å; E1835-W1866 HydrophobicContact CG-CZ2 3.79Å |
| 1836 | L | 89.5 | Confident | 80.2 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | trans | -93.5 | 167.1 | -173.4 | -54 | 177.4 | 0 | 0 | 0 | 110.5 | E1797 N1800 P1802 F1834 T1838 | E1797-L1836 HydrophobicContact CB-CD2 3.96Å; E1797-L1836 HydrophobicContact CG-CD2 4.43Å; E1797-L1836 CarbonylContact O-C 3.55Å; E1797-L1836 WeakPolarHBondContact O-CA 3.48Å; N1800-L1836 WeakPolarHBondContact O-CD1 3.25Å; P1802-L1836 HydrophobicContact CB-CD2 4.04Å; P1802-L1836 HydrophobicContact CG-CD2 4.08Å; F1834-L1836 HydrophobicContact CB-CD2 3.98Å; F1834-L1836 HydrophobicContact CB-CG 4.3Å; L1836-T1838 PolarHBondContact O-N 2.78Å; L1836-T1838 PolarHBondContact O-OG1 3.21Å | ||
| 1837 | N | 86.4 | Confident | 78.4 | Confident | 40 Ų | 40 | 47.8 Ų | 47.8 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 51.7 | 27.9 | -176.6 | -55.7 | -60.1 | 0 | 0 | 0 | 113.3 | E1797 R1799 N1800 K1862 E1863 N1864 | E1797-N1837 PolarHBondContact O-N 3.14Å; R1799-N1837 PolarHBondContact O-N 3.49Å; N1800-N1837 WeakPolarHBondContact CA-OD1 3.31Å; N1800-N1837 VanDerWaalsContact CB-OD1 3.3Å; N1800-N1837 WeakPolarHBondContact CB-OD1 3.44Å; N1800-N1837 PolarHBondContact N-OD1 2.78Å; N1837-K1862 WeakPolarHBondContact CB-O 3.33Å; N1837-E1863 CarbonylContact O-C 3.52Å; N1837-E1863 WeakPolarHBondContact O-CA 3.35Å; N1837-N1864 PolarHBondContact O-N 3.26Å |
| 1838 | T | 86.4 | Confident | 76.6 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 112 | -173.1 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | I1796 E1797 R1798 E1835 L1836 N1864 W1866 | I1796-T1838 HydrophobicContact CG2-CG2 3.54Å; I1796-T1838 WeakPolarHBondContact CG2-O 3.4Å; E1797-T1838 CarbonylContact C-O 3.58Å; E1797-T1838 PolarHBondContact O-N 3.49Å; R1798-T1838 VanDerWaalsContact CA-O 3.25Å; R1798-T1838 WeakPolarHBondContact CA-O 3.46Å; R1798-T1838 PolarHBondContact N-O 3.02Å; E1835-T1838 HydrophobicContact CG-CG2 4.23Å; E1835-T1838 WeakPolarHBondContact CG-OG1 3.26Å; L1836-T1838 PolarHBondContact O-N 2.78Å; L1836-T1838 PolarHBondContact O-OG1 3.21Å; T1838-N1864 CarbonylContact C-O 3.58Å; T1838-N1864 WeakPolarHBondContact CA-O 3.47Å; T1838-N1864 HydrophobicContact CG2-CB 4.17Å; T1838-N1864 WeakPolarHBondContact OG1-CB 3.48Å; T1838-W1866 HydrophobicContact CG2-CB 4.42Å; T1838-W1866 HydrophobicContact CG2-CD2 3.84Å; T1838-W1866 HydrophobicContact CG2-CG 3.75Å |
| 1839 | R | 80.1 | Confident | 75 | Confident | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.2 | 179.1 | -167.1 | 171.4 | -174.4 | 171.2 | -1.2 | 109.5 | R1798 S1847 E1863 N1864 I1865 W1866 E2077 | R1798-R1839 HydrophobicContact CB-CB 4.4Å; R1839-S1847 PolarHBondContact NH1-OG 3Å; R1839-E1863 IonicContact NH1-OE1 2.82Å; R1839-N1864 PolarHBondContact N-O 2.9Å; R1839-I1865 WeakPolarHBondContact O-CA 3.29Å; R1839-W1866 PolarHBondContact O-N 2.93Å; R1839-E2077 IonicContact NH2-OE2 3.67Å |
| 1840 | V | 80.6 | Confident | 73.8 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.4 | 175.7 | -166.4 | 0 | 0 | 0 | 0 | 109.1 | V1773 I1796 W1866 L1871 L2080 | V1773-V1840 HydrophobicContact CB-CG2 4.49Å; V1773-V1840 HydrophobicContact CG1-CB 3.95Å; V1773-V1840 HydrophobicContact CG1-CG2 3.6Å; V1773-V1840 HydrophobicContact CG2-CG2 4.07Å; I1796-V1840 HydrophobicContact CB-CG2 4.46Å; I1796-V1840 HydrophobicContact CD1-CG2 4.43Å; I1796-V1840 HydrophobicContact CG2-CG2 3.76Å; V1840-W1866 VanDerWaalsContact CA-O 3.31Å; V1840-W1866 WeakPolarHBondContact CA-O 3.43Å; V1840-L1871 HydrophobicContact CB-CD1 4.46Å; V1840-L1871 HydrophobicContact CG1-CD1 3.32Å; V1840-L1871 HydrophobicContact CG1-CG 4.28Å; V1840-L1871 HydrophobicContact CG2-CD1 4.29Å; V1840-L2080 HydrophobicContact CB-CD1 3.63Å; V1840-L2080 HydrophobicContact CG1-CD1 3.5Å; V1840-L2080 WeakPolarHBondContact O-CD1 3.44Å |
| 1841 | G | 68.9 | Low | 72.9 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 71.5 | 68.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | W1866 T2079 E2083 | G1841-W1866 PolarHBondContact N-O 2.99Å; G1841-T2079 WeakPolarHBondContact O-CB 3.43Å; G1841-T2079 WeakPolarHBondContact O-CG2 3.38Å; G1841-E2083 VanDerWaalsContact C-OE2 3.23Å; G1841-E2083 WeakPolarHBondContact CA-OE2 3.49Å |
| 1842 | N | 63.8 | Low | 71.7 | Confident | 17 Ų | 17 | 58.4 Ų | 58.4 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | trans | -156.8 | 104.5 | 169.7 | -153.5 | 16 | 0 | 0 | 0 | 107.9 | G1844 Q1845 I1865 T2079 | N1842-G1844 PolarHBondContact O-N 3.38Å; N1842-Q1845 PolarHBondContact ND2-O 3.31Å; N1842-I1865 WeakPolarHBondContact O-CG2 3.42Å; N1842-T2079 HydrophobicContact CB-CG2 4.44Å | ||
| 1843 | D | 56.3 | Low | 70.4 | Confident | 135 Ų | 135 | 59.9 Ų | 59.9 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -70.4 | 60.2 | -176.6 | -73.3 | -24.9 | 0 | 0 | 0 | 112.6 | Q1845 | D1843-Q1845 VanDerWaalsContact C-N 3.34Å; D1843-Q1845 PolarHBondContact O-N 2.9Å |
| 1844 | G | 56.6 | Low | 68.7 | Low | 57 Ų | 57 | 55.4 Ų | 55.4 | 59% | 0.588 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 78.7 | 3.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N1842 | N1842-G1844 PolarHBondContact O-N 3.38Š|
| 1845 | Q | 53.6 | Low | 66.9 | Low | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 128.4 | 173.2 | -70.2 | -154.9 | -12.2 | 0 | 0 | 111.6 | N1842 D1843 S1847 | N1842-Q1845 PolarHBondContact ND2-O 3.31Å; D1843-Q1845 VanDerWaalsContact C-N 3.34Å; D1843-Q1845 PolarHBondContact O-N 2.9Å; Q1845-S1847 PolarHBondContact O-N 3.48Å |
| 1846 | P | 53.7 | Low | 65 | Low | 99 Ų | 99 | 58.7 Ų | 58.7 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 133.7 | 173.3 | 15.1 | -16.3 | 0 | 0 | 0 | 109.2 | E1848 | P1846-E1848 PolarHBondContact O-N 3.36Š|
| 1847 | S | 52.1 | Low | 63.3 | Low | 36 Ų | 36 | 62 Ų | 62 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 129.3 | 173.3 | 30.4 | 0 | 0 | 0 | 0 | 110.5 | R1839 Q1845 | R1839-S1847 PolarHBondContact NH1-OG 3Å; Q1845-S1847 PolarHBondContact O-N 3.48Å |
| 1848 | E | 54.4 | Low | 61.7 | Low | 156 Ų | 156 | 60.5 Ų | 60.5 | 73% | 0.729 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 138.1 | 162.1 | -71.7 | -172.3 | 162.5 | 0 | 0 | 109.7 | P1846 R1850 | P1846-E1848 PolarHBondContact O-N 3.36Å; E1848-R1850 PolarHBondContact O-N 3.46Å; E1848-R1850 VanDerWaalsContact O-N 3.09Å |
| 1849 | P | 58.1 | Low | 60 | Low | 75 Ų | 75 | 64 Ų | 64 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 118.7 | 175.4 | 22.5 | -29.1 | 0 | 0 | 0 | 108.6 | D1851 | P1849-D1851 PolarHBondContact O-N 2.88Š|
| 1850 | R | 62.8 | Low | 58.6 | Low | 71 Ų | 71 | 66.1 Ų | 66.1 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -61.6 | -12.5 | -179.3 | -61.5 | 178.8 | -169.1 | -121.7 | -12.5 | 113.6 | E1848 F1902 E2077 | E1848-R1850 PolarHBondContact O-N 3.46Å; E1848-R1850 VanDerWaalsContact O-N 3.09Å; R1850-F1902 WeakPolarHBondContact O-CD2 3.38Å; R1850-F1902 WeakPolarHBondContact O-CE2 3.38Å; R1850-E2077 IonicContact CZ-OE1 3.58Å; R1850-E2077 IonicContact CZ-OE2 3.96Å; R1850-E2077 IonicContact NH1-OE1 3.25Å; R1850-E2077 PolarHBondContact NH1-OE1 2.86Å; R1850-E2077 IonicContact NH2-OE1 2.85Å; R1850-E2077 PolarHBondContact NH2-OE1 2.63Å; R1850-E2077 IonicContact NH2-OE2 3Å; R1850-E2077 PolarHBondContact NH2-OE2 3.08Å |
| 1851 | D | 66.6 | Low | 57.5 | Low | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 119.4 | 176 | -172.2 | -21.7 | 0 | 0 | 0 | 106.8 | P1849 N1853 S1854 H1901 F1902 S1905 | P1849-D1851 PolarHBondContact O-N 2.88Å; D1851-N1853 PolarHBondContact O-N 2.8Å; D1851-N1853 PolarHBondContact OD1-N 2.74Å; D1851-N1853 VanDerWaalsContact OD1-N 3.09Å; D1851-S1854 WeakPolarHBondContact CB-OG 3.43Å; D1851-S1854 CarbonylContact O-C 3.55Å; D1851-S1854 PolarHBondContact O-N 3.38Å; D1851-H1901 WeakPolarHBondContact OD2-CA 3.27Å; D1851-H1901 IonicContact OD2-CG 2.92Å; D1851-H1901 IonicContact OD2-ND1 2.9Å; D1851-F1902 HydrophobicContact CB-CD2 3.79Å; D1851-F1902 HydrophobicContact CB-CE2 4.43Å; D1851-F1902 PolarHBondContact OD2-N 3Å; D1851-S1905 PolarHBondContact OD2-OG 2.87Å |
| 1852 | L | 62.2 | Low | 57 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 59% | 0.592 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -28.9 | 179.3 | -71.8 | 164.3 | 0 | 0 | 0 | 112.6 | ||
| 1853 | N | 64.2 | Low | 57 | Low | 36 Ų | 36 | 77.1 Ų | 77.1 | 19% | 0.193 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 13.2 | -177.8 | -64.9 | -41.9 | 0 | 0 | 0 | 112.4 | D1851 R1895 L1897 I1900 H1901 | D1851-N1853 PolarHBondContact O-N 2.8Å; D1851-N1853 PolarHBondContact OD1-N 2.74Å; D1851-N1853 VanDerWaalsContact OD1-N 3.09Å; N1853-R1895 PolarHBondContact ND2-NH1 2.79Å; N1853-L1897 PolarHBondContact ND2-O 3.38Å; N1853-I1900 WeakPolarHBondContact CB-O 3.34Å; N1853-I1900 PolarHBondContact ND2-O 2.86Å; N1853-H1901 PolarHBondContact O-CE1 2.84Å |
| 1854 | S | 59.8 | Low | 57.9 | Low | 12 Ų | 12 | 74.6 Ų | 74.6 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -155.3 | 131.2 | 173 | 92.5 | 0 | 0 | 0 | 0 | 115.9 | D1851 C1856 R1909 | D1851-S1854 WeakPolarHBondContact CB-OG 3.43Å; D1851-S1854 CarbonylContact O-C 3.55Å; D1851-S1854 PolarHBondContact O-N 3.38Å; S1854-C1856 PolarHBondContact O-N 3.04Å; S1854-C1856 PolarHBondContact OG-SG 3.34Å; S1854-R1909 VanDerWaalsContact CB-CZ 3.46Å; S1854-R1909 PolarHBondContact OG-NH2 3.34Å |
| 1855 | V | 54.9 | Low | 58.9 | Low | 114 Ų | 114 | 75.8 Ų | 75.8 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | trans | -85.3 | 91.4 | 163.5 | -172.6 | 0 | 0 | 0 | 0 | 107.7 | R1857 | V1855-R1857 HydrophobicContact CG1-CB 3.82Å; V1855-R1857 PolarHBondContact O-N 2.91Å | ||
| 1856 | C | 54 | Low | 60.5 | Low | 46 Ų | 46 | 70 Ų | 70 | 31% | 0.311 | 38% | 0.376 | S | S | . | . | trans | -75.5 | 44.7 | 172.4 | -75.8 | 0 | 0 | 0 | 0 | 112.1 | S1854 | S1854-C1856 PolarHBondContact O-N 3.04Å; S1854-C1856 PolarHBondContact OG-SG 3.34Å | ||
| 1857 | R | 53.3 | Low | 61.9 | Low | 108 Ų | 108 | 67.1 Ų | 67.1 | 41% | 0.408 | 36% | 0.357 | S | S | . | . | trans | -110.3 | 120.6 | 178 | -133.8 | 179 | -171.9 | -175.3 | 0.1 | 108 | V1855 E1863 | V1855-R1857 HydrophobicContact CG1-CB 3.82Å; V1855-R1857 PolarHBondContact O-N 2.91Å; R1857-E1863 IonicContact CZ-OE2 3.99Å; R1857-E1863 IonicContact NE-OE2 2.74Å; R1857-E1863 IonicContact NH2-OE2 3.84Å; R1857-E1863 PolarHBondContact NH2-OE2 3.4Å | ||
| 1858 | D | 52.7 | Low | 63.5 | Low | 9 Ų | 9 | 65.5 Ų | 65.5 | 5% | 0.048 | 35% | 0.346 | C | S | . | . | trans | -78.2 | 123.4 | 166.3 | -164.7 | -30.7 | 0 | 0 | 0 | 107.1 | A1860 D1861 K1916 F1932 | D1858-A1860 PolarHBondContact O-N 3.28Å; D1858-A1860 WeakPolarHBondContact OD1-CB 3.39Å; D1858-A1860 PolarHBondContact OD1-N 2.88Å; D1858-A1860 VanDerWaalsContact OD1-N 3.08Å; D1858-D1861 WeakPolarHBondContact O-CB 3.37Å; D1858-D1861 PolarHBondContact O-N 3.21Å; D1858-K1916 IonicContact OD1-NZ 3.54Å; D1858-K1916 VanDerWaalsContact OD2-CE 3.3Å; D1858-K1916 WeakPolarHBondContact OD2-CE 3.39Å; D1858-K1916 IonicContact OD2-NZ 3.62Å; D1858-K1916 PolarHBondContact OD2-NZ 3.5Å; D1858-F1932 HydrophobicContact CB-CD2 4.35Å; D1858-F1932 HydrophobicContact CB-CE2 3.92Å | ||
| 1859 | P | 51.4 | Low | 64.9 | Low | 73 Ų | 73 | 67 Ų | 67 | 47% | 0.474 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -23.2 | 175.4 | -20.7 | 29.2 | 0 | 0 | 0 | 113 | D1861 N1931 | P1859-D1861 VanDerWaalsContact C-N 3.33Å; P1859-N1931 HydrophobicContact CB-CB 4.34Å; P1859-N1931 HydrophobicContact CG-CB 3.66Å; P1859-N1931 WeakPolarHBondContact CG-O 3.34Å |
| 1860 | A | 50.6 | Low | 66.3 | Low | 67 Ų | 67 | 66.5 Ų | 66.5 | 55% | 0.554 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -12.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1858 K1862 | D1858-A1860 PolarHBondContact O-N 3.28Å; D1858-A1860 WeakPolarHBondContact OD1-CB 3.39Å; D1858-A1860 PolarHBondContact OD1-N 2.88Å; D1858-A1860 VanDerWaalsContact OD1-N 3.08Å; A1860-K1862 VanDerWaalsContact C-N 3.26Å; A1860-K1862 PolarHBondContact O-N 3.41Å |
| 1861 | D | 58 | Low | 67.7 | Low | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | trans | -76.8 | 76.7 | 175.8 | -65.8 | -21.2 | 0 | 0 | 0 | 108.6 | D1858 P1859 E1863 R1912 | D1858-D1861 WeakPolarHBondContact O-CB 3.37Å; D1858-D1861 PolarHBondContact O-N 3.21Å; P1859-D1861 VanDerWaalsContact C-N 3.33Å; D1861-E1863 PolarHBondContact O-N 2.89Å; D1861-R1912 IonicContact OD1-NH1 2.67Å; D1861-R1912 IonicContact OD2-CZ 3.16Å; D1861-R1912 IonicContact OD2-NH1 2.72Å; D1861-R1912 PolarHBondContact OD2-NH1 3.04Å; D1861-R1912 IonicContact OD2-NH2 3.3Å | ||
| 1862 | K | 58 | Low | 68.7 | Low | 182 Ų | 182 | 65.5 Ų | 65.5 | 79% | 0.791 | 34% | 0.335 | S | S | * | . | trans | -61.7 | 98.4 | 168.2 | -93.1 | -174 | 177.5 | 177.8 | 0 | 108.6 | N1837 A1860 N1864 | N1837-K1862 WeakPolarHBondContact CB-O 3.33Å; A1860-K1862 VanDerWaalsContact C-N 3.26Å; A1860-K1862 PolarHBondContact O-N 3.41Å; K1862-N1864 PolarHBondContact O-N 2.84Å | ||
| 1863 | E | 64.3 | Low | 70.1 | Confident | 59 Ų | 59 | 66 Ų | 66 | 28% | 0.276 | 34% | 0.338 | S | S | . | . | trans | -72.8 | 110.6 | -177.1 | -77.7 | -177.6 | 150.8 | 0 | 0 | 111.2 | N1837 R1839 R1857 D1861 | N1837-E1863 CarbonylContact O-C 3.52Å; N1837-E1863 WeakPolarHBondContact O-CA 3.35Å; R1839-E1863 IonicContact NH1-OE1 2.82Å; R1857-E1863 IonicContact CZ-OE2 3.99Å; R1857-E1863 IonicContact NE-OE2 2.74Å; R1857-E1863 IonicContact NH2-OE2 3.84Å; R1857-E1863 PolarHBondContact NH2-OE2 3.4Å; D1861-E1863 PolarHBondContact O-N 2.89Å | ||
| 1864 | N | 75.2 | Confident | 71.5 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137.6 | 157.3 | -76.4 | -23.8 | 0 | 0 | 0 | 108.5 | N1837 T1838 R1839 K1862 | N1837-N1864 PolarHBondContact O-N 3.26Å; T1838-N1864 CarbonylContact C-O 3.58Å; T1838-N1864 WeakPolarHBondContact CA-O 3.47Å; T1838-N1864 HydrophobicContact CG2-CB 4.17Å; T1838-N1864 WeakPolarHBondContact OG1-CB 3.48Å; R1839-N1864 PolarHBondContact N-O 2.9Å; K1862-N1864 PolarHBondContact O-N 2.84Å |
| 1865 | I | 77.6 | Confident | 73.2 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 42% | 0.415 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 122.7 | 178.1 | -61.7 | 175.6 | 0 | 0 | 0 | 108.6 | R1839 N1842 | R1839-I1865 WeakPolarHBondContact O-CA 3.29Å; N1842-I1865 WeakPolarHBondContact O-CG2 3.42Å |
| 1866 | W | 86.6 | Confident | 75.2 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 10% | 0.102 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.2 | 170.9 | -69.1 | 15.3 | 0 | 0 | 0 | 108.7 | I1794 I1796 E1835 T1838 R1839 V1840 G1841 K1870 L1871 F1875 | I1794-W1866 HydrophobicContact CD1-CH2 4.12Å; I1796-W1866 HydrophobicContact CD1-CE3 3.55Å; I1796-W1866 HydrophobicContact CD1-CH2 4.49Å; I1796-W1866 HydrophobicContact CD1-CZ3 3.46Å; I1796-W1866 VanDerWaalsContact CD1-CZ3 3.46Å; I1796-W1866 HydrophobicContact CG1-CE3 4.4Å; I1796-W1866 HydrophobicContact CG1-CZ3 4.05Å; E1835-W1866 HydrophobicContact CG-CH2 4.05Å; E1835-W1866 HydrophobicContact CG-CZ2 3.79Å; T1838-W1866 HydrophobicContact CG2-CB 4.42Å; T1838-W1866 HydrophobicContact CG2-CD2 3.84Å; T1838-W1866 HydrophobicContact CG2-CG 3.75Å; R1839-W1866 PolarHBondContact O-N 2.93Å; V1840-W1866 VanDerWaalsContact CA-O 3.31Å; V1840-W1866 WeakPolarHBondContact CA-O 3.43Å; G1841-W1866 PolarHBondContact N-O 2.99Å; W1866-K1870 HydrophobicContact CB-CD 4.24Å; W1866-K1870 HydrophobicContact CD2-CD 4.23Å; W1866-K1870 VanDerWaalsContact CE2-NZ 3.27Å; W1866-K1870 HydrophobicContact CG-CD 4.02Å; W1866-L1871 HydrophobicContact CE3-CD2 3.72Å; W1866-L1871 HydrophobicContact CZ3-CD2 4.18Å; W1866-F1875 HydrophobicContact CZ3-CE2 4.04Å; W1866-F1875 HydrophobicContact CZ3-CZ 4.09Å |
| 1867 | S | 84 | Confident | 77.2 | Confident | 37 Ų | 37 | 63 Ų | 63 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | trans | -74.1 | 154.4 | 173.7 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | R1869 K1870 L1871 E2083 | S1867-R1869 PolarHBondContact O-N 3.3Å; S1867-K1870 WeakPolarHBondContact O-CB 3.39Å; S1867-K1870 PolarHBondContact O-N 3.37Å; S1867-K1870 PolarHBondContact OG-N 3.04Å; S1867-L1871 PolarHBondContact O-N 3.28Å; S1867-E2083 WeakPolarHBondContact CA-OE1 3.3Å; S1867-E2083 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 1868 | A | 84.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.7 | -36.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1871 L1872 E2083 F2084 | A1868-L1871 WeakPolarHBondContact O-CB 3.19Å; A1868-L1871 PolarHBondContact O-N 3.02Å; A1868-L1872 WeakPolarHBondContact O-CG 3.17Å; A1868-L1872 PolarHBondContact O-N 2.78Å; A1868-E2083 HydrophobicContact CB-CB 4.15Å; A1868-E2083 HydrophobicContact CB-CG 3.72Å; A1868-E2083 WeakPolarHBondContact CB-OE1 3.45Å; A1868-E2083 PolarHBondContact N-OE1 2.9Å; A1868-F2084 HydrophobicContact CB-CD1 3.92Å; A1868-F2084 HydrophobicContact CB-CD2 3.78Å; A1868-F2084 HydrophobicContact CB-CE1 3.72Å; A1868-F2084 HydrophobicContact CB-CE2 3.55Å; A1868-F2084 HydrophobicContact CB-CG 3.95Å; A1868-F2084 HydrophobicContact CB-CZ 3.53Å |
| 1869 | R | 84.8 | Confident | 81.4 | Confident | 188 Ų | 188 | 57.4 Ų | 57.4 | 71% | 0.709 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 176.8 | -167.1 | 166.8 | -172.3 | 159 | 2.9 | 112.7 | S1867 L1871 L1872 D1873 | S1867-R1869 PolarHBondContact O-N 3.3Å; R1869-L1871 PolarHBondContact O-N 2.66Å; R1869-L1872 PolarHBondContact O-N 3.04Å; R1869-L1872 VanDerWaalsContact O-N 3.12Å; R1869-D1873 PolarHBondContact O-N 3.35Å |
| 1870 | K | 88.2 | Confident | 83.5 | Confident | 65 Ų | 65 | 53.9 Ų | 53.9 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.4 | -42 | 174.1 | -178.7 | -174.2 | 176.2 | -173.7 | 0 | 111.2 | W1866 S1867 D1873 E1874 | W1866-K1870 HydrophobicContact CB-CD 4.24Å; W1866-K1870 HydrophobicContact CD2-CD 4.23Å; W1866-K1870 VanDerWaalsContact CE2-NZ 3.27Å; W1866-K1870 HydrophobicContact CG-CD 4.02Å; S1867-K1870 WeakPolarHBondContact O-CB 3.39Å; S1867-K1870 PolarHBondContact O-N 3.37Å; S1867-K1870 PolarHBondContact OG-N 3.04Å; K1870-D1873 PolarHBondContact O-N 3.41Å; K1870-E1874 WeakPolarHBondContact CE-OE1 3.22Å; K1870-E1874 HydrophobicContact CG-CG 4.4Å; K1870-E1874 WeakPolarHBondContact CG-OE1 2.95Å; K1870-E1874 WeakPolarHBondContact O-CB 3.27Å; K1870-E1874 PolarHBondContact O-N 3.15Å |
| 1871 | L | 90.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 178 | -70.1 | -178.1 | 0 | 0 | 0 | 112.7 | A1771 V1773 I1796 V1840 W1866 S1867 A1868 R1869 D1873 F1875 I1878 F2084 | A1771-L1871 HydrophobicContact CB-CD2 4.01Å; V1773-L1871 HydrophobicContact CG2-CD1 3.88Å; I1796-L1871 HydrophobicContact CD1-CD2 3.65Å; V1840-L1871 HydrophobicContact CB-CD1 4.46Å; V1840-L1871 HydrophobicContact CG1-CD1 3.32Å; V1840-L1871 HydrophobicContact CG1-CG 4.28Å; V1840-L1871 HydrophobicContact CG2-CD1 4.29Å; W1866-L1871 HydrophobicContact CE3-CD2 3.72Å; W1866-L1871 HydrophobicContact CZ3-CD2 4.18Å; S1867-L1871 PolarHBondContact O-N 3.28Å; A1868-L1871 WeakPolarHBondContact O-CB 3.19Å; A1868-L1871 PolarHBondContact O-N 3.02Å; R1869-L1871 PolarHBondContact O-N 2.66Å; L1871-D1873 VanDerWaalsContact C-N 3.27Å; L1871-D1873 PolarHBondContact O-N 2.96Å; L1871-F1875 HydrophobicContact CD2-CD2 3.88Å; L1871-F1875 HydrophobicContact CD2-CE2 3.76Å; L1871-F1875 PolarHBondContact O-N 3.29Å; L1871-I1878 HydrophobicContact CB-CD1 3.82Å; L1871-I1878 HydrophobicContact CB-CG1 4.11Å; L1871-I1878 HydrophobicContact CD1-CG2 4.23Å; L1871-F2084 HydrophobicContact CB-CZ 4.45Å; L1871-F2084 HydrophobicContact CD1-CZ 4.16Å |
| 1872 | L | 89.4 | Confident | 87.1 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -32.5 | 179 | -72.4 | 165.7 | 0 | 0 | 0 | 113 | A1868 R1869 I1878 F2084 K2108 V2109 | A1868-L1872 WeakPolarHBondContact O-CG 3.17Å; A1868-L1872 PolarHBondContact O-N 2.78Å; R1869-L1872 PolarHBondContact O-N 3.04Å; R1869-L1872 VanDerWaalsContact O-N 3.12Å; L1872-I1878 HydrophobicContact CD2-CD1 3.69Å; L1872-I1878 HydrophobicContact CG-CD1 4.01Å; L1872-F2084 HydrophobicContact CD1-CD1 4.21Å; L1872-F2084 HydrophobicContact CD1-CE1 4.06Å; L1872-F2084 HydrophobicContact CD2-CE1 4.18Å; L1872-F2084 HydrophobicContact CG-CD1 4.48Å; L1872-F2084 HydrophobicContact CG-CE1 3.9Å; L1872-K2108 PolarHBondContact O-NZ 3.41Å; L1872-V2109 HydrophobicContact CD2-CG2 3.82Å |
| 1873 | D | 90.6 | Very high | 88.5 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 65% | 0.652 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -80.9 | -40.5 | -178.9 | -66.9 | -21.1 | 0 | 0 | 0 | 112.1 | R1869 K1870 L1871 | R1869-D1873 PolarHBondContact O-N 3.35Å; K1870-D1873 PolarHBondContact O-N 3.41Å; L1871-D1873 VanDerWaalsContact C-N 3.27Å; L1871-D1873 PolarHBondContact O-N 2.96Å |
| 1874 | E | 93.5 | Very high | 89.6 | Confident | 88 Ų | 88 | 41.4 Ų | 41.4 | 41% | 0.411 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -90.4 | -18.4 | -172.8 | -71.3 | -175.8 | -160 | 0 | 0 | 115.5 | K1870 | K1870-E1874 WeakPolarHBondContact CE-OE1 3.22Å; K1870-E1874 HydrophobicContact CG-CG 4.4Å; K1870-E1874 WeakPolarHBondContact CG-OE1 2.95Å; K1870-E1874 WeakPolarHBondContact O-CB 3.27Å; K1870-E1874 PolarHBondContact O-N 3.15Å |
| 1875 | F | 96.2 | Very high | 89.9 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 2% | 0.022 | 19% | 0.194 | C | C | . | . | trans | -121.9 | 147.6 | -173 | -62 | -87.1 | 0 | 0 | 0 | 112.9 | R1769 A1771 I1794 W1866 L1871 I1878 | R1769-F1875 HydrophobicContact CB-CD1 3.98Å; R1769-F1875 HydrophobicContact CB-CE1 4.49Å; A1771-F1875 HydrophobicContact CB-CB 4.24Å; A1771-F1875 HydrophobicContact CB-CD1 3.69Å; A1771-F1875 HydrophobicContact CB-CD2 3.74Å; A1771-F1875 HydrophobicContact CB-CE1 3.93Å; A1771-F1875 HydrophobicContact CB-CE2 3.98Å; A1771-F1875 HydrophobicContact CB-CG 3.59Å; A1771-F1875 HydrophobicContact CB-CZ 4.07Å; I1794-F1875 HydrophobicContact CG2-CD1 4.34Å; I1794-F1875 HydrophobicContact CG2-CE1 3.35Å; I1794-F1875 HydrophobicContact CG2-CZ 3.6Å; W1866-F1875 HydrophobicContact CZ3-CE2 4.04Å; W1866-F1875 HydrophobicContact CZ3-CZ 4.09Å; L1871-F1875 HydrophobicContact CD2-CD2 3.88Å; L1871-F1875 HydrophobicContact CD2-CE2 3.76Å; L1871-F1875 PolarHBondContact O-N 3.29Å; F1875-I1878 HydrophobicContact CB-CG1 4.4Å | ||
| 1876 | D | 96 | Very high | 90.1 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -75.6 | -32.2 | 176.3 | -65.1 | -75.7 | 0 | 0 | 0 | 111.6 | K1768 R1769 K2108 L2140 | K1768-D1876 VanDerWaalsContact CA-OD2 3.31Å; K1768-D1876 WeakPolarHBondContact CA-OD2 3.46Å; K1768-D1876 HydrophobicContact CB-CB 4.44Å; K1768-D1876 HydrophobicContact CD-CB 4.3Å; R1769-D1876 PolarHBondContact N-OD2 3.18Å; R1769-D1876 PolarHBondContact O-N 2.68Å; D1876-K2108 WeakPolarHBondContact O-CG 3.48Å; D1876-L2140 HydrophobicContact CB-CD2 4.17Å |
| 1877 | A | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 148.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1770 A1771 K2108 Y2110 V2136 L2140 | I1770-A1877 WeakPolarHBondContact CA-O 3.46Å; I1770-A1877 HydrophobicContact CG1-CB 4.35Å; I1770-A1877 HydrophobicContact CG2-CB 4.26Å; A1771-A1877 PolarHBondContact N-O 3.27Å; A1877-K2108 WeakPolarHBondContact CA-O 3.35Å; A1877-Y2110 HydrophobicContact CB-CD2 4.44Å; A1877-Y2110 HydrophobicContact CB-CE2 4.06Å; A1877-V2136 HydrophobicContact CB-CG1 3.69Å; A1877-L2140 HydrophobicContact CB-CD1 4.01Å |
| 1878 | I | 97 | Very high | 90 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 122.6 | 179.8 | -56.4 | 148 | 0 | 0 | 0 | 108.2 | A1771 V1773 L1871 L1872 F1875 L1880 F2084 K2108 V2109 Y2110 | A1771-I1878 CarbonylContact O-C 3.24Å; A1771-I1878 VanDerWaalsContact O-CA 3.31Å; A1771-I1878 WeakPolarHBondContact O-CA 3.37Å; V1773-I1878 HydrophobicContact CG2-CG2 4.28Å; L1871-I1878 HydrophobicContact CB-CD1 3.82Å; L1871-I1878 HydrophobicContact CB-CG1 4.11Å; L1871-I1878 HydrophobicContact CD1-CG2 4.23Å; L1872-I1878 HydrophobicContact CD2-CD1 3.69Å; L1872-I1878 HydrophobicContact CG-CD1 4.01Å; F1875-I1878 HydrophobicContact CB-CG1 4.4Å; I1878-L1880 HydrophobicContact CG2-CD2 4.01Å; I1878-F2084 HydrophobicContact CD1-CE1 4.2Å; I1878-F2084 HydrophobicContact CD1-CZ 4.43Å; I1878-F2084 HydrophobicContact CG2-CZ 4.36Å; I1878-K2108 PolarHBondContact N-O 3.39Å; I1878-V2109 HydrophobicContact CD1-CG2 4.21Å; I1878-V2109 WeakPolarHBondContact O-CA 3.39Å; I1878-Y2110 PolarHBondContact O-N 3.31Å |
| 1879 | V | 97 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 115.1 | 178.2 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | I1770 A1771 I1772 V1773 C1881 A2112 A2132 V2136 | I1770-V1879 HydrophobicContact CG2-CG2 4.31Å; A1771-V1879 PolarHBondContact O-N 2.89Å; I1772-V1879 WeakPolarHBondContact CA-O 3.22Å; I1772-V1879 HydrophobicContact CG1-CB 4.25Å; I1772-V1879 HydrophobicContact CG1-CG2 4.45Å; V1773-V1879 PolarHBondContact N-O 2.95Å; V1879-C1881 PolarHBondContact O-N 3.27Å; V1879-A2112 HydrophobicContact CG1-CB 4.43Å; V1879-A2132 HydrophobicContact CG1-CB 4.34Å; V1879-V2136 HydrophobicContact CG2-CG2 3.81Å |
| 1880 | L | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 110.1 | 178.4 | -56.3 | -176.3 | 0 | 0 | 0 | 110 | V1773 I1878 L1882 L2080 F2084 L2086 I2094 V2109 Y2110 A2112 C2115 | V1773-L1880 HydrophobicContact CB-CD2 4.11Å; V1773-L1880 HydrophobicContact CG2-CD2 4.02Å; I1878-L1880 HydrophobicContact CG2-CD2 4.01Å; L1880-L1882 HydrophobicContact CB-CG 4.25Å; L1880-L2080 HydrophobicContact CD1-CD2 4.07Å; L1880-L2080 HydrophobicContact CD2-CD2 3.51Å; L1880-L2080 HydrophobicContact CG-CD2 4.37Å; L1880-F2084 HydrophobicContact CD1-CD2 4.42Å; L1880-F2084 HydrophobicContact CD2-CE2 4.17Å; L1880-L2086 HydrophobicContact CD1-CD1 3.4Å; L1880-I2094 HydrophobicContact CD1-CD1 4.29Å; L1880-V2109 HydrophobicContact CD1-CG1 3.87Å; L1880-V2109 HydrophobicContact CG-CG1 4.14Å; L1880-Y2110 WeakPolarHBondContact CB-O 3.24Å; L1880-Y2110 WeakPolarHBondContact CG-O 3.45Å; L1880-Y2110 PolarHBondContact N-O 2.95Å; L1880-A2112 PolarHBondContact O-N 2.86Å; L1880-C2115 PolarHBondContact O-SG 3.41Å; L1880-C2115 VanDerWaalsContact O-SG 3.32Å |
| 1881 | C | 94.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | trans | -120.5 | 45.6 | -180 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | I1772 V1773 V1879 G1883 | I1772-C1881 HydrophobicContact CG2-CB 4.34Å; V1773-C1881 CarbonylContact O-C 3.58Å; V1773-C1881 VanDerWaalsContact O-C 3.25Å; V1773-C1881 VanDerWaalsContact O-CA 3.31Å; V1773-C1881 WeakPolarHBondContact O-CA 3.46Å; V1773-C1881 WeakPolarHBondContact O-CB 3.03Å; V1773-C1881 PolarHBondContact O-N 3.48Å; V1879-C1881 PolarHBondContact O-N 3.27Å; C1881-G1883 VanDerWaalsContact C-N 3.28Å; C1881-G1883 PolarHBondContact O-N 3.16Å | ||
| 1882 | L | 89.4 | Confident | 90.2 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | trans | -70.3 | -21.7 | -164.3 | -50.1 | 177.2 | 0 | 0 | 0 | 114 | V1773 L1880 T1885 P2076 L2080 C2115 | V1773-L1882 HydrophobicContact CB-CD2 4.04Å; V1773-L1882 HydrophobicContact CG1-CD2 3.55Å; L1880-L1882 HydrophobicContact CB-CG 4.25Å; L1882-T1885 WeakPolarHBondContact O-CG2 3.31Å; L1882-P2076 HydrophobicContact CB-CB 4.36Å; L1882-P2076 HydrophobicContact CD1-CB 4.32Å; L1882-L2080 HydrophobicContact CD1-CB 4.29Å; L1882-L2080 HydrophobicContact CD1-CD2 3.72Å; L1882-L2080 HydrophobicContact CD2-CD2 3.9Å; L1882-L2080 HydrophobicContact CG-CD2 4.39Å; L1882-C2115 HydrophobicContact CB-CB 4.03Å | ||
| 1883 | G | 88.1 | Confident | 90.4 | Very high | 19 Ų | 19 | 47 Ų | 47 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | trans | 74.2 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C1881 T1885 P2076 | C1881-G1883 VanDerWaalsContact C-N 3.28Å; C1881-G1883 PolarHBondContact O-N 3.16Å; G1883-T1885 PolarHBondContact O-N 3.46Å; G1883-P2076 WeakPolarHBondContact O-CA 3.45Å | ||
| 1884 | A | 87.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -93.1 | 78.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | F2073 G2075 D2114 | A1884-F2073 HydrophobicContact CB-CB 4Å; A1884-F2073 VanDerWaalsContact O-CB 3.27Å; A1884-F2073 WeakPolarHBondContact O-CB 3.34Å; A1884-F2073 WeakPolarHBondContact O-CD1 3.43Å; A1884-F2073 WeakPolarHBondContact O-CG 3.28Å; A1884-G2075 CarbonylContact C-O 3.57Å; A1884-G2075 VanDerWaalsContact C-O 3.3Å; A1884-G2075 WeakPolarHBondContact CA-O 3.34Å; A1884-D2114 HydrophobicContact CB-CB 4.02Å | ||
| 1885 | T | 80.7 | Confident | 90.2 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 17% | 0.172 | 20% | 0.197 | C | C | . | . | trans | -86.7 | -8.3 | -168.3 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | L1882 G1883 P1887 G2075 E2077 | L1882-T1885 WeakPolarHBondContact O-CG2 3.31Å; G1883-T1885 PolarHBondContact O-N 3.46Å; T1885-P1887 WeakPolarHBondContact O-CD 3.35Å; T1885-G2075 PolarHBondContact N-O 2.8Å; T1885-G2075 VanDerWaalsContact N-O 3.12Å; T1885-E2077 WeakPolarHBondContact CB-OE1 3.36Å; T1885-E2077 PolarHBondContact OG1-OE1 3.24Å | ||
| 1886 | W | 81.8 | Confident | 89.8 | Confident | 119 Ų | 119 | 44 Ų | 44 | 45% | 0.451 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 109.4 | -177.8 | -162 | -97.2 | 0 | 0 | 0 | 111.3 | F2073 L2074 G2075 | W1886-F2073 CarbonylContact O-C 3.58Å; W1886-F2073 VanDerWaalsContact O-CA 3.22Å; W1886-F2073 WeakPolarHBondContact O-CA 3.04Å; W1886-F2073 WeakPolarHBondContact O-CB 3.49Å; W1886-L2074 PolarHBondContact O-N 2.85Å; W1886-G2075 WeakPolarHBondContact CB-O 3.17Å; W1886-G2075 PolarHBondContact N-O 2.73Å; W1886-G2075 VanDerWaalsContact N-O 3.08Å |
| 1887 | P | 82.9 | Confident | 89.5 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 153.6 | -176.1 | 30.8 | -35 | 0 | 0 | 0 | 111.8 | T1885 F1902 F2073 | T1885-P1887 WeakPolarHBondContact O-CD 3.35Å; P1887-F1902 HydrophobicContact CB-CD1 3.79Å; P1887-F1902 HydrophobicContact CB-CD2 4.45Å; P1887-F1902 HydrophobicContact CB-CE1 3.88Å; P1887-F1902 HydrophobicContact CB-CG 4.1Å; P1887-F1902 HydrophobicContact CB-CZ 4.24Å; P1887-F1902 HydrophobicContact CG-CD1 4.11Å; P1887-F1902 HydrophobicContact CG-CD2 3.91Å; P1887-F1902 HydrophobicContact CG-CE1 4.02Å; P1887-F1902 HydrophobicContact CG-CE2 3.82Å; P1887-F1902 HydrophobicContact CG-CG 4.06Å; P1887-F1902 HydrophobicContact CG-CZ 3.86Å; P1887-F2073 HydrophobicContact CB-CD1 4.3Å; P1887-F2073 HydrophobicContact CB-CE1 4.45Å |
| 1888 | R | 86.2 | Confident | 88.9 | Confident | 135 Ų | 135 | 48.4 Ų | 48.4 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -79.6 | 122.6 | 169.3 | -177.6 | 176.4 | -77.9 | -116 | -0.9 | 109 | F1902 M2071 G2072 L2074 | R1888-F1902 WeakPolarHBondContact O-CE1 3.49Å; R1888-M2071 HydrophobicContact CB-CB 4.36Å; R1888-M2071 HydrophobicContact CG-CB 4.46Å; R1888-M2071 WeakPolarHBondContact O-CE 3.28Å; R1888-G2072 WeakPolarHBondContact CB-O 3.45Å; R1888-G2072 PolarHBondContact N-O 2.96Å; R1888-L2074 HydrophobicContact CB-CD2 4.32Å; R1888-L2074 HydrophobicContact CB-CG 4.37Å; R1888-L2074 HydrophobicContact CG-CD2 4.37Å |
| 1889 | D | 87.3 | Confident | 88.4 | Confident | 52 Ų | 52 | 49 Ų | 49 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -96.8 | 160.4 | 176.8 | -149.7 | -7.1 | 0 | 0 | 0 | 112.6 | R1895 F1902 | D1889-R1895 IonicContact OD1-CZ 3.01Å; D1889-R1895 IonicContact OD1-NE 3.94Å; D1889-R1895 PolarHBondContact OD1-NE 3.08Å; D1889-R1895 IonicContact OD1-NH2 2.87Å; D1889-R1895 PolarHBondContact OD1-NH2 2.78Å; D1889-R1895 VanDerWaalsContact OD1-NH2 3.16Å; D1889-R1895 IonicContact OD2-CZ 3.95Å; D1889-R1895 IonicContact OD2-NE 3.86Å; D1889-R1895 IonicContact OD2-NH2 3.25Å; D1889-R1895 PolarHBondContact OD2-NH2 2.88Å; D1889-F1902 HydrophobicContact CB-CE1 4.13Å; D1889-F1902 HydrophobicContact CB-CZ 3.8Å; D1889-F1902 VanDerWaalsContact CG-CZ 3.42Å |
| 1890 | L | 87.5 | Confident | 88.1 | Confident | 44 Ų | 44 | 49 Ų | 49 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | trans | -118.7 | 88.8 | 174.9 | -172.4 | 67.3 | 0 | 0 | 0 | 109.6 | I1892 R1895 L1949 T2021 F2024 M2071 | L1890-I1892 VanDerWaalsContact C-N 3.27Å; L1890-I1892 HydrophobicContact CD1-CG2 4.13Å; L1890-I1892 HydrophobicContact CD2-CD1 3.66Å; L1890-I1892 HydrophobicContact CD2-CG1 4.21Å; L1890-I1892 HydrophobicContact CG-CD1 3.98Å; L1890-I1892 HydrophobicContact CG-CG1 4Å; L1890-I1892 HydrophobicContact CG-CG2 4.03Å; L1890-I1892 PolarHBondContact O-N 3.28Å; L1890-R1895 WeakPolarHBondContact O-CD 3.35Å; L1890-L1949 HydrophobicContact CD2-CD1 4.02Å; L1890-T2021 HydrophobicContact CD2-CG2 4.32Å; L1890-F2024 HydrophobicContact CD2-CZ 4.24Å; L1890-M2071 HydrophobicContact CB-CE 3.63Å; L1890-M2071 HydrophobicContact CB-SD 4Å; L1890-M2071 HydrophobicContact CD2-SD 4.42Å | ||
| 1891 | N | 85.9 | Confident | 87.7 | Confident | 140 Ų | 140 | 49.7 Ų | 49.7 | 75% | 0.749 | 25% | 0.254 | S | S | * | . | trans | -79.3 | 71.3 | 179.9 | -77.9 | -12.5 | 0 | 0 | 0 | 111.8 | ||||
| 1892 | I | 91 | Very high | 87.5 | Confident | 33 Ų | 33 | 50 Ų | 50 | 17% | 0.169 | 26% | 0.256 | C | S | . | . | trans | -110.9 | 163.6 | 172.1 | 60.6 | 175.1 | 0 | 0 | 0 | 110.1 | L1890 G1894 R1895 T2021 F2024 | L1890-I1892 VanDerWaalsContact C-N 3.27Å; L1890-I1892 HydrophobicContact CD1-CG2 4.13Å; L1890-I1892 HydrophobicContact CD2-CD1 3.66Å; L1890-I1892 HydrophobicContact CD2-CG1 4.21Å; L1890-I1892 HydrophobicContact CG-CD1 3.98Å; L1890-I1892 HydrophobicContact CG-CG1 4Å; L1890-I1892 HydrophobicContact CG-CG2 4.03Å; L1890-I1892 PolarHBondContact O-N 3.28Å; I1892-G1894 PolarHBondContact O-N 2.93Å; I1892-R1895 WeakPolarHBondContact O-CB 3.1Å; I1892-R1895 PolarHBondContact O-N 2.99Å; I1892-T2021 HydrophobicContact CD1-CG2 3.36Å; I1892-F2024 HydrophobicContact CD1-CD2 3.89Å; I1892-F2024 HydrophobicContact CD1-CE2 3.59Å; I1892-F2024 HydrophobicContact CD1-CZ 4.06Å; I1892-F2024 HydrophobicContact CG1-CD2 3.74Å; I1892-F2024 HydrophobicContact CG1-CE2 3.53Å; I1892-F2024 HydrophobicContact CG1-CZ 4.44Å | ||
| 1893 | P | 93 | Very high | 87.5 | Confident | 81 Ų | 81 | 48.5 Ų | 48.5 | 53% | 0.526 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 133.8 | 177.2 | -27.6 | 36.1 | 0 | 0 | 0 | 112.5 | E2023 F2024 | P1893-E2023 HydrophobicContact CB-CG 4.11Å; P1893-F2024 PolarHBondContact O-N 3.43Å |
| 1894 | G | 89.5 | Confident | 87.4 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 0.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | I1892 Q1896 L1897 I1900 | I1892-G1894 PolarHBondContact O-N 2.93Å; G1894-Q1896 PolarHBondContact O-N 3.27Å; G1894-L1897 WeakPolarHBondContact O-CB 3.48Å; G1894-L1897 WeakPolarHBondContact O-CD1 3.48Å; G1894-L1897 WeakPolarHBondContact O-CG 3.09Å; G1894-L1897 PolarHBondContact O-N 2.88Å; G1894-I1900 WeakPolarHBondContact O-CD1 3.45Å |
| 1895 | R | 91 | Very high | 87.2 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -27.1 | 179.1 | 175.1 | 57.1 | -173.2 | 91.4 | 0.8 | 114.4 | N1853 D1889 L1890 I1892 L1897 F2024 | N1853-R1895 PolarHBondContact ND2-NH1 2.79Å; D1889-R1895 IonicContact OD1-CZ 3.01Å; D1889-R1895 IonicContact OD1-NE 3.94Å; D1889-R1895 PolarHBondContact OD1-NE 3.08Å; D1889-R1895 IonicContact OD1-NH2 2.87Å; D1889-R1895 PolarHBondContact OD1-NH2 2.78Å; D1889-R1895 VanDerWaalsContact OD1-NH2 3.16Å; D1889-R1895 IonicContact OD2-CZ 3.95Å; D1889-R1895 IonicContact OD2-NE 3.86Å; D1889-R1895 IonicContact OD2-NH2 3.25Å; D1889-R1895 PolarHBondContact OD2-NH2 2.88Å; L1890-R1895 WeakPolarHBondContact O-CD 3.35Å; I1892-R1895 WeakPolarHBondContact O-CB 3.1Å; I1892-R1895 PolarHBondContact O-N 2.99Å; R1895-L1897 VanDerWaalsContact C-N 3.32Å; R1895-F2024 HydrophobicContact CB-CD2 4.35Å; R1895-F2024 HydrophobicContact CB-CE2 4.4Å |
| 1896 | Q | 87.3 | Confident | 87.5 | Confident | 135 Ų | 135 | 48 Ų | 48 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -6 | 178.9 | 72 | -76.8 | 0.6 | 0 | 0 | 114.9 | G1894 | G1894-Q1896 PolarHBondContact O-N 3.27Š|
| 1897 | L | 88.9 | Confident | 87.7 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -65.6 | 144.1 | 178.7 | -66.9 | 168.8 | 0 | 0 | 0 | 111.1 | N1853 G1894 R1895 I1900 F2024 D2026 | N1853-L1897 PolarHBondContact ND2-O 3.38Å; G1894-L1897 WeakPolarHBondContact O-CB 3.48Å; G1894-L1897 WeakPolarHBondContact O-CD1 3.48Å; G1894-L1897 WeakPolarHBondContact O-CG 3.09Å; G1894-L1897 PolarHBondContact O-N 2.88Å; R1895-L1897 VanDerWaalsContact C-N 3.32Å; L1897-I1900 HydrophobicContact CB-CD1 4.09Å; L1897-F2024 HydrophobicContact CD1-CB 4.25Å; L1897-D2026 HydrophobicContact CD1-CB 4.07Å; L1897-D2026 HydrophobicContact CD2-CB 3.76Å |
| 1898 | Q | 84.5 | Confident | 87.8 | Confident | 131 Ų | 131 | 42.4 Ų | 42.4 | 61% | 0.612 | 22% | 0.215 | S | C | * | . | B | Isolated β-bridge | trans | -64.3 | 147.9 | 173.2 | -73.4 | -152.6 | -9.4 | 0 | 0 | 111.4 | G2030 S2031 V2032 | Q1898-G2030 PolarHBondContact N-O 3.07Å; Q1898-S2031 CarbonylContact O-C 3.55Å; Q1898-S2031 VanDerWaalsContact O-CA 3.26Å; Q1898-S2031 WeakPolarHBondContact O-CA 3.43Å; Q1898-V2032 PolarHBondContact O-N 3.29Å |
| 1899 | G | 86.7 | Confident | 87.6 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 4.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L2066 V2067 | G1899-L2066 CarbonylContact O-C 3.5Å; G1899-L2066 WeakPolarHBondContact O-CA 3.41Å; G1899-L2066 WeakPolarHBondContact O-CD1 3.19Å; G1899-V2067 PolarHBondContact O-N 3Å |
| 1900 | I | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 110.5 | 171.6 | -53 | 170.4 | 0 | 0 | 0 | 108.7 | N1853 G1894 L1897 F2024 V2032 V2067 L2069 | N1853-I1900 WeakPolarHBondContact CB-O 3.34Å; N1853-I1900 PolarHBondContact ND2-O 2.86Å; G1894-I1900 WeakPolarHBondContact O-CD1 3.45Å; L1897-I1900 HydrophobicContact CB-CD1 4.09Å; I1900-F2024 HydrophobicContact CD1-CB 3.83Å; I1900-F2024 HydrophobicContact CD1-CD1 3.85Å; I1900-F2024 HydrophobicContact CD1-CD2 3.77Å; I1900-F2024 HydrophobicContact CD1-CE1 4.35Å; I1900-F2024 HydrophobicContact CD1-CE2 4.24Å; I1900-F2024 HydrophobicContact CD1-CG 3.54Å; I1900-F2024 HydrophobicContact CG2-CZ 4.43Å; I1900-V2032 HydrophobicContact CD1-CB 4.42Å; I1900-V2032 HydrophobicContact CG1-CB 4.1Å; I1900-V2032 HydrophobicContact CG1-CG1 4.3Å; I1900-V2032 HydrophobicContact CG1-CG2 4.45Å; I1900-V2067 WeakPolarHBondContact CA-O 3.49Å; I1900-V2067 HydrophobicContact CB-CB 4.38Å; I1900-V2067 HydrophobicContact CG1-CB 4.11Å; I1900-V2067 HydrophobicContact CG1-CG2 4.35Å; I1900-V2067 HydrophobicContact CG2-CB 4.17Å; I1900-V2067 HydrophobicContact CG2-CG1 4.25Å; I1900-L2069 HydrophobicContact CG2-CD1 4.15Å; I1900-L2069 HydrophobicContact CG2-CD2 4.32Å; I1900-L2069 HydrophobicContact CG2-CG 4.19Å |
| 1901 | H | 88.6 | Confident | 87.3 | Confident | 15 Ų | 15 | 34.2 Ų | 34.2 | 7% | 0.069 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.8 | -175.6 | -61.7 | -67.2 | 0 | 0 | 0 | 112.3 | D1851 N1853 V2067 L2068 L2069 | D1851-H1901 WeakPolarHBondContact OD2-CA 3.27Å; D1851-H1901 IonicContact OD2-CG 2.92Å; D1851-H1901 IonicContact OD2-ND1 2.9Å; N1853-H1901 PolarHBondContact O-CE1 2.84Å; H1901-V2067 PolarHBondContact N-O 3.02Å; H1901-L2068 HydrophobicContact CB-CD2 4.24Å; H1901-L2068 CarbonylContact O-C 3.41Å; H1901-L2068 WeakPolarHBondContact O-CA 3.44Å; H1901-L2069 PolarHBondContact O-N 3.3Å |
| 1902 | F | 89.1 | Confident | 87 | Confident | 12 Ų | 12 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.1 | 166.1 | -69.9 | -63.1 | 0 | 0 | 0 | 110.9 | R1850 D1851 P1887 R1888 D1889 M1904 S1905 F1906 L2069 | R1850-F1902 WeakPolarHBondContact O-CD2 3.38Å; R1850-F1902 WeakPolarHBondContact O-CE2 3.38Å; D1851-F1902 HydrophobicContact CB-CD2 3.79Å; D1851-F1902 HydrophobicContact CB-CE2 4.43Å; D1851-F1902 PolarHBondContact OD2-N 3Å; P1887-F1902 HydrophobicContact CB-CD1 3.79Å; P1887-F1902 HydrophobicContact CB-CD2 4.45Å; P1887-F1902 HydrophobicContact CB-CE1 3.88Å; P1887-F1902 HydrophobicContact CB-CG 4.1Å; P1887-F1902 HydrophobicContact CB-CZ 4.24Å; P1887-F1902 HydrophobicContact CG-CD1 4.11Å; P1887-F1902 HydrophobicContact CG-CD2 3.91Å; P1887-F1902 HydrophobicContact CG-CE1 4.02Å; P1887-F1902 HydrophobicContact CG-CE2 3.82Å; P1887-F1902 HydrophobicContact CG-CG 4.06Å; P1887-F1902 HydrophobicContact CG-CZ 3.86Å; R1888-F1902 WeakPolarHBondContact O-CE1 3.49Å; D1889-F1902 HydrophobicContact CB-CE1 4.13Å; D1889-F1902 HydrophobicContact CB-CZ 3.8Å; D1889-F1902 VanDerWaalsContact CG-CZ 3.42Å; F1902-M1904 VanDerWaalsContact C-N 3.29Å; F1902-M1904 PolarHBondContact O-N 3.16Å; F1902-S1905 WeakPolarHBondContact O-CB 3.48Å; F1902-S1905 PolarHBondContact O-N 3.35Å; F1902-S1905 VanDerWaalsContact O-N 3.07Å; F1902-F1906 PolarHBondContact O-N 3.34Å; F1902-L2069 HydrophobicContact CD1-CB 3.85Å; F1902-L2069 HydrophobicContact CD1-CD1 4.03Å; F1902-L2069 HydrophobicContact CE1-CB 4.32Å; F1902-L2069 HydrophobicContact CE1-CD1 3.83Å |
| 1903 | A | 89.4 | Confident | 86.4 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | S1905 F1906 L1907 T1954 L2069 A2070 | A1903-S1905 VanDerWaalsContact C-N 3.34Å; A1903-S1905 PolarHBondContact O-N 3.4Å; A1903-F1906 WeakPolarHBondContact O-CB 3.25Å; A1903-F1906 PolarHBondContact O-N 3.22Å; A1903-L1907 WeakPolarHBondContact O-CG 3.29Å; A1903-L1907 PolarHBondContact O-N 3.03Å; A1903-T1954 HydrophobicContact CB-CG2 3.59Å; A1903-L2069 VanDerWaalsContact CB-O 3.31Å; A1903-L2069 WeakPolarHBondContact CB-O 3.44Å; A1903-L2069 PolarHBondContact N-O 2.87Å; A1903-A2070 HydrophobicContact CB-CB 3.92Å |
| 1904 | M | 85.7 | Confident | 85.8 | Confident | 33 Ų | 33 | 27.4 Ų | 27.4 | 16% | 0.163 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -35.6 | 177.7 | -74.7 | -55.9 | -57.4 | 0 | 0 | 113.6 | L1805 F1902 F1906 L1907 E1908 F2073 | L1805-M1904 HydrophobicContact CD1-CE 3.82Å; L1805-M1904 HydrophobicContact CD1-SD 4.37Å; F1902-M1904 VanDerWaalsContact C-N 3.29Å; F1902-M1904 PolarHBondContact O-N 3.16Å; M1904-F1906 VanDerWaalsContact C-N 3.28Å; M1904-F1906 PolarHBondContact O-N 2.99Å; M1904-L1907 PolarHBondContact O-N 3.48Å; M1904-E1908 WeakPolarHBondContact O-CB 3.33Å; M1904-E1908 PolarHBondContact O-N 3.01Å; M1904-F2073 HydrophobicContact CG-CE1 3.73Å; M1904-F2073 HydrophobicContact CG-CZ 3.35Å; M1904-F2073 HydrophobicContact SD-CZ 4.11Å |
| 1905 | S | 83.3 | Confident | 85 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 8% | 0.077 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 176 | -60.7 | 0 | 0 | 0 | 0 | 110.9 | D1851 F1902 A1903 R1909 | D1851-S1905 PolarHBondContact OD2-OG 2.87Å; F1902-S1905 WeakPolarHBondContact O-CB 3.48Å; F1902-S1905 PolarHBondContact O-N 3.35Å; F1902-S1905 VanDerWaalsContact O-N 3.07Å; A1903-S1905 VanDerWaalsContact C-N 3.34Å; A1903-S1905 PolarHBondContact O-N 3.4Å; S1905-R1909 WeakPolarHBondContact O-CB 3.43Å; S1905-R1909 WeakPolarHBondContact O-CG 3.34Å; S1905-R1909 PolarHBondContact O-N 3.04Å; S1905-R1909 PolarHBondContact O-NE 3.1Å |
| 1906 | F | 86.8 | Confident | 84 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -52 | 175.7 | 170.3 | -116.8 | 0 | 0 | 0 | 112.1 | F1902 A1903 M1904 W1910 L1940 A1941 T1961 H1965 L2068 | F1902-F1906 PolarHBondContact O-N 3.34Å; A1903-F1906 WeakPolarHBondContact O-CB 3.25Å; A1903-F1906 PolarHBondContact O-N 3.22Å; M1904-F1906 VanDerWaalsContact C-N 3.28Å; M1904-F1906 PolarHBondContact O-N 2.99Å; F1906-W1910 PolarHBondContact O-N 3Å; F1906-L1940 HydrophobicContact CD2-CD2 3.49Å; F1906-L1940 VanDerWaalsContact CD2-CD2 3.49Å; F1906-L1940 HydrophobicContact CE2-CB 4.41Å; F1906-L1940 HydrophobicContact CE2-CD2 4.01Å; F1906-A1941 HydrophobicContact CE2-CB 4.5Å; F1906-A1941 HydrophobicContact CZ-CB 4.41Å; F1906-T1961 HydrophobicContact CE1-CG2 3.77Å; F1906-T1961 HydrophobicContact CZ-CG2 3.73Å; F1906-H1965 AromaticContact CE2-CE1 3.8Å; F1906-H1965 AromaticContact CE2-ND1 3.84Å; F1906-H1965 AromaticContact CZ-CE1 3.86Å; F1906-H1965 AromaticContact CZ-ND1 3.84Å; F1906-L2068 HydrophobicContact CB-CD2 3.89Å; F1906-L2068 HydrophobicContact CD1-CD1 3.68Å; F1906-L2068 HydrophobicContact CD1-CD2 4.32Å; F1906-L2068 HydrophobicContact CE1-CD1 3.89Å; F1906-L2068 HydrophobicContact CG-CD1 4.19Å; F1906-L2068 HydrophobicContact CG-CD2 4.02Å |
| 1907 | L | 88 | Confident | 82.8 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -179.3 | -64.7 | 174.9 | 0 | 0 | 0 | 111.6 | P1811 A1903 M1904 R1909 W1910 Q1911 T1954 D1957 T1961 | P1811-L1907 HydrophobicContact CG-CD2 4.36Å; A1903-L1907 WeakPolarHBondContact O-CG 3.29Å; A1903-L1907 PolarHBondContact O-N 3.03Å; M1904-L1907 PolarHBondContact O-N 3.48Å; L1907-R1909 PolarHBondContact O-N 2.78Å; L1907-W1910 PolarHBondContact O-N 3.09Å; L1907-Q1911 WeakPolarHBondContact O-CG 3.49Å; L1907-Q1911 PolarHBondContact O-N 3.14Å; L1907-T1954 HydrophobicContact CD1-CG2 4.29Å; L1907-D1957 HydrophobicContact CD1-CB 4.11Å; L1907-D1957 HydrophobicContact CD2-CB 4.36Å; L1907-T1961 HydrophobicContact CD2-CG2 4.49Å |
| 1908 | E | 84.8 | Confident | 81.4 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 9% | 0.093 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | -179.1 | 176.5 | 164.7 | 176.9 | 0 | 0 | 112.1 | R1799 Y1808 M1904 W1910 Q1911 R1912 | R1799-E1908 IonicContact CZ-OE1 2.94Å; R1799-E1908 IonicContact CZ-OE2 3.87Å; R1799-E1908 IonicContact NE-OE1 3.7Å; R1799-E1908 PolarHBondContact NE-OE1 2.91Å; R1799-E1908 IonicContact NE-OE2 3.67Å; R1799-E1908 IonicContact NH2-OE1 2.78Å; R1799-E1908 IonicContact NH2-OE2 3.66Å; R1799-E1908 PolarHBondContact NH2-OE2 3.19Å; Y1808-E1908 HydrophobicContact CD1-CG 4.14Å; Y1808-E1908 HydrophobicContact CG-CG 4.41Å; Y1808-E1908 WeakPolarHBondContact O-CA 3.29Å; Y1808-E1908 PolarHBondContact O-N 3.25Å; M1904-E1908 WeakPolarHBondContact O-CB 3.33Å; M1904-E1908 PolarHBondContact O-N 3.01Å; E1908-W1910 VanDerWaalsContact C-N 3.31Å; E1908-W1910 PolarHBondContact O-N 2.95Å; E1908-Q1911 PolarHBondContact O-N 2.78Å; E1908-R1912 WeakPolarHBondContact O-CG 3.47Å; E1908-R1912 PolarHBondContact O-N 3.33Å; E1908-R1912 IonicContact OE1-CZ 3.64Å; E1908-R1912 IonicContact OE1-NE 2.72Å; E1908-R1912 PolarHBondContact OE1-NE 3.09Å; E1908-R1912 IonicContact OE1-NH2 3.79Å; E1908-R1912 PolarHBondContact OE1-NH2 3.3Å |
| 1909 | R | 80.2 | Confident | 79.8 | Confident | 30 Ų | 30 | 32.6 Ų | 32.6 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 176.4 | -80.8 | -173.2 | -111.2 | 158.7 | 6.7 | 111.5 | S1854 S1905 L1907 R1912 Y1913 V1937 | S1854-R1909 VanDerWaalsContact CB-CZ 3.46Å; S1854-R1909 PolarHBondContact OG-NH2 3.34Å; S1905-R1909 WeakPolarHBondContact O-CB 3.43Å; S1905-R1909 WeakPolarHBondContact O-CG 3.34Å; S1905-R1909 PolarHBondContact O-N 3.04Å; S1905-R1909 PolarHBondContact O-NE 3.1Å; L1907-R1909 PolarHBondContact O-N 2.78Å; R1909-R1912 PolarHBondContact O-N 3.44Å; R1909-Y1913 WeakPolarHBondContact O-CB 3.34Å; R1909-Y1913 PolarHBondContact O-N 3.37Å; R1909-V1937 HydrophobicContact CB-CG1 3.8Å; R1909-V1937 HydrophobicContact CB-CG2 4.15Å; R1909-V1937 HydrophobicContact CG-CG2 4.45Å |
| 1910 | W | 84.9 | Confident | 77.9 | Confident | 21 Ų | 21 | 40.1 Ų | 40.1 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.3 | -177.9 | -115.3 | 0 | 0 | 0 | 112.5 | W1646 F1906 L1907 E1908 R1912 Y1913 Q1914 V1937 T1961 H1965 | W1646-W1910 HydrophobicContact CD2-CZ2 4.4Å; W1646-W1910 AromaticContact CE2-CZ2 3.55Å; W1646-W1910 AromaticContact CE2-NE1 3.94Å; W1646-W1910 AromaticContact CE3-NE1 3.74Å; W1646-W1910 AromaticContact CH2-CD1 3.92Å; W1646-W1910 AromaticContact CH2-CE2 3.52Å; W1646-W1910 AromaticContact CH2-CZ2 3.76Å; W1646-W1910 HydrophobicContact CH2-CZ2 3.76Å; W1646-W1910 AromaticContact CH2-NE1 3.04Å; W1646-W1910 AromaticContact CZ2-CE2 3.49Å; W1646-W1910 VanDerWaalsContact CZ2-CE2 3.49Å; W1646-W1910 HydrophobicContact CZ2-CH2 4.2Å; W1646-W1910 AromaticContact CZ2-CZ2 3.18Å; W1646-W1910 HydrophobicContact CZ2-CZ2 3.18Å; W1646-W1910 AromaticContact CZ2-NE1 3.46Å; W1646-W1910 AromaticContact CZ3-CD1 3.93Å; W1646-W1910 AromaticContact CZ3-NE1 3.19Å; W1646-W1910 AromaticContact NE1-CZ2 3.93Å; F1906-W1910 PolarHBondContact O-N 3Å; L1907-W1910 PolarHBondContact O-N 3.09Å; E1908-W1910 VanDerWaalsContact C-N 3.31Å; E1908-W1910 PolarHBondContact O-N 2.95Å; W1910-R1912 VanDerWaalsContact C-N 3.31Å; W1910-R1912 PolarHBondContact O-N 3.38Å; W1910-Y1913 AromaticContact CE3-CD1 3.71Å; W1910-Y1913 HydrophobicContact CE3-CD1 3.71Å; W1910-Y1913 HydrophobicContact CE3-CE1 4.42Å; W1910-Y1913 HydrophobicContact CE3-CG 4.33Å; W1910-Y1913 AromaticContact CH2-CD1 3.76Å; W1910-Y1913 HydrophobicContact CH2-CD1 3.76Å; W1910-Y1913 AromaticContact CH2-CE1 3.79Å; W1910-Y1913 HydrophobicContact CH2-CE1 3.79Å; W1910-Y1913 AromaticContact CZ3-CD1 3.27Å; W1910-Y1913 HydrophobicContact CZ3-CD1 3.27Å; W1910-Y1913 AromaticContact CZ3-CE1 3.55Å; W1910-Y1913 HydrophobicContact CZ3-CE1 3.55Å; W1910-Y1913 HydrophobicContact CZ3-CG 4.2Å; W1910-Y1913 WeakPolarHBondContact O-CB 3.44Å; W1910-Y1913 PolarHBondContact O-N 3.2Å; W1910-Y1913 VanDerWaalsContact O-N 3.15Å; W1910-Q1914 HydrophobicContact CD2-CG 4.26Å; W1910-Q1914 HydrophobicContact CZ2-CG 3.85Å; W1910-Q1914 VanDerWaalsContact NE1-CD 3.34Å; W1910-Q1914 VanDerWaalsContact NE1-NE2 3.14Å; W1910-Q1914 PolarHBondContact O-N 2.96Å; W1910-V1937 HydrophobicContact CE3-CG1 4.49Å; W1910-T1961 HydrophobicContact CG-CG2 4.15Å; W1910-H1965 AromaticContact CD2-CE1 3.72Å; W1910-H1965 AromaticContact CD2-NE2 3.09Å; W1910-H1965 AromaticContact CE2-NE2 3.34Å; W1910-H1965 VanDerWaalsContact CE2-NE2 3.34Å; W1910-H1965 AromaticContact CE3-CE1 3.57Å; W1910-H1965 AromaticContact CE3-NE2 3.21Å; W1910-H1965 AromaticContact CG-NE2 3.65Å; W1910-H1965 AromaticContact CH2-NE2 3.78Å; W1910-H1965 AromaticContact CZ2-NE2 3.71Å; W1910-H1965 AromaticContact CZ3-NE2 3.54Å; W1910-H1965 AromaticContact NE1-NE2 3.91Å |
| 1911 | Q | 85.3 | Confident | 75.5 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.9 | -66.3 | -46.6 | -48.8 | 0 | 0 | 112.2 | T1812 L1907 E1908 H1915 | T1812-Q1911 PolarHBondContact OG1-OE1 3.01Å; L1907-Q1911 WeakPolarHBondContact O-CG 3.49Å; L1907-Q1911 PolarHBondContact O-N 3.14Å; E1908-Q1911 PolarHBondContact O-N 2.78Å; Q1911-H1915 PolarHBondContact O-N 2.78Å; Q1911-H1915 VanDerWaalsContact O-N 3.15Å |
| 1912 | R | 79 | Confident | 72.8 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.7 | -71.5 | -178.5 | -178.6 | -130.4 | 7.3 | 111.7 | Y1808 D1861 E1908 R1909 W1910 H1915 K1916 | Y1808-R1912 HydrophobicContact CD1-CG 4.11Å; Y1808-R1912 HydrophobicContact CE1-CG 4.02Å; D1861-R1912 IonicContact OD1-NH1 2.67Å; D1861-R1912 IonicContact OD2-CZ 3.16Å; D1861-R1912 IonicContact OD2-NH1 2.72Å; D1861-R1912 PolarHBondContact OD2-NH1 3.04Å; D1861-R1912 IonicContact OD2-NH2 3.3Å; E1908-R1912 WeakPolarHBondContact O-CG 3.47Å; E1908-R1912 PolarHBondContact O-N 3.33Å; E1908-R1912 IonicContact OE1-CZ 3.64Å; E1908-R1912 IonicContact OE1-NE 2.72Å; E1908-R1912 PolarHBondContact OE1-NE 3.09Å; E1908-R1912 IonicContact OE1-NH2 3.79Å; E1908-R1912 PolarHBondContact OE1-NH2 3.3Å; R1909-R1912 PolarHBondContact O-N 3.44Å; W1910-R1912 VanDerWaalsContact C-N 3.31Å; W1910-R1912 PolarHBondContact O-N 3.38Å; R1912-H1915 PolarHBondContact O-N 3.09Å; R1912-K1916 PolarHBondContact O-N 3.47Å |
| 1913 | Y | 78.7 | Confident | 70 | Confident | 59 Ų | 59 | 62.9 Ų | 62.9 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 177.6 | 176.6 | -97.2 | 0 | 0 | 0 | 112.4 | R1909 W1910 H1915 K1916 N1917 A1938 | R1909-Y1913 WeakPolarHBondContact O-CB 3.34Å; R1909-Y1913 PolarHBondContact O-N 3.37Å; W1910-Y1913 AromaticContact CE3-CD1 3.71Å; W1910-Y1913 HydrophobicContact CE3-CD1 3.71Å; W1910-Y1913 HydrophobicContact CE3-CE1 4.42Å; W1910-Y1913 HydrophobicContact CE3-CG 4.33Å; W1910-Y1913 AromaticContact CH2-CD1 3.76Å; W1910-Y1913 HydrophobicContact CH2-CD1 3.76Å; W1910-Y1913 AromaticContact CH2-CE1 3.79Å; W1910-Y1913 HydrophobicContact CH2-CE1 3.79Å; W1910-Y1913 AromaticContact CZ3-CD1 3.27Å; W1910-Y1913 HydrophobicContact CZ3-CD1 3.27Å; W1910-Y1913 AromaticContact CZ3-CE1 3.55Å; W1910-Y1913 HydrophobicContact CZ3-CE1 3.55Å; W1910-Y1913 HydrophobicContact CZ3-CG 4.2Å; W1910-Y1913 WeakPolarHBondContact O-CB 3.44Å; W1910-Y1913 PolarHBondContact O-N 3.2Å; W1910-Y1913 VanDerWaalsContact O-N 3.15Å; Y1913-H1915 VanDerWaalsContact C-N 3.26Å; Y1913-H1915 PolarHBondContact O-N 3.19Å; Y1913-K1916 PolarHBondContact O-N 3.22Å; Y1913-N1917 WeakPolarHBondContact CE1-ND2 3.38Å; Y1913-N1917 WeakPolarHBondContact CE2-ND2 3.44Å; Y1913-N1917 PolarHBondContact O-N 3.36Å; Y1913-N1917 VanDerWaalsContact O-N 3.13Å; Y1913-N1917 PolarHBondContact OH-ND2 3.29Å; Y1913-N1917 VanDerWaalsContact OH-ND2 3.12Å; Y1913-A1938 HydrophobicContact CE1-CB 4.26Å; Y1913-A1938 HydrophobicContact CE2-CB 4.21Å |
| 1914 | Q | 79.1 | Confident | 67.3 | Low | 29 Ų | 29 | 70.9 Ų | 70.9 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 176.7 | -73.2 | -162.3 | -31.9 | 0 | 0 | 112.2 | W1646 T1812 W1910 N1917 R1918 | W1646-Q1914 VanDerWaalsContact CE3-NE2 3.33Å; T1812-Q1914 PolarHBondContact OG1-OE1 3.21Å; W1910-Q1914 HydrophobicContact CD2-CG 4.26Å; W1910-Q1914 HydrophobicContact CZ2-CG 3.85Å; W1910-Q1914 VanDerWaalsContact NE1-CD 3.34Å; W1910-Q1914 VanDerWaalsContact NE1-NE2 3.14Å; W1910-Q1914 PolarHBondContact O-N 2.96Å; Q1914-N1917 PolarHBondContact O-N 2.93Å; Q1914-R1918 PolarHBondContact O-N 2.69Å; Q1914-R1918 VanDerWaalsContact O-N 3.1Å |
| 1915 | H | 74.7 | Confident | 64.6 | Low | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.25 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 178.8 | -171.3 | 65.3 | 0 | 0 | 0 | 112.4 | L1801 Q1911 R1912 Y1913 N1917 R1918 I1919 | L1801-H1915 VanDerWaalsContact CD1-NE2 3.28Å; L1801-H1915 WeakPolarHBondContact CD1-NE2 3.33Å; Q1911-H1915 PolarHBondContact O-N 2.78Å; Q1911-H1915 VanDerWaalsContact O-N 3.15Å; R1912-H1915 PolarHBondContact O-N 3.09Å; Y1913-H1915 VanDerWaalsContact C-N 3.26Å; Y1913-H1915 PolarHBondContact O-N 3.19Å; H1915-N1917 VanDerWaalsContact C-N 3.26Å; H1915-N1917 PolarHBondContact O-N 3Å; H1915-R1918 PolarHBondContact O-N 2.99Å; H1915-R1918 VanDerWaalsContact O-N 3.16Å; H1915-I1919 WeakPolarHBondContact NE2-CD1 3.39Å; H1915-I1919 PolarHBondContact O-N 3.45Å |
| 1916 | K | 68.9 | Low | 62.4 | Low | 85 Ų | 85 | 83.2 Ų | 83.2 | 37% | 0.37 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -38.2 | 176.6 | -75.6 | -172.7 | 179.9 | 179.6 | 0 | 112 | D1858 R1912 Y1913 I1919 | D1858-K1916 IonicContact OD1-NZ 3.54Å; D1858-K1916 VanDerWaalsContact OD2-CE 3.3Å; D1858-K1916 WeakPolarHBondContact OD2-CE 3.39Å; D1858-K1916 IonicContact OD2-NZ 3.62Å; D1858-K1916 PolarHBondContact OD2-NZ 3.5Å; R1912-K1916 PolarHBondContact O-N 3.47Å; Y1913-K1916 PolarHBondContact O-N 3.22Å; K1916-I1919 PolarHBondContact O-N 3.26Å |
| 1917 | N | 62.7 | Low | 59.6 | Low | 59 Ų | 59 | 91.7 Ų | 91.7 | 32% | 0.316 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -75.5 | -26.8 | 178.4 | -79.3 | -27.5 | 0 | 0 | 0 | 114.3 | Y1913 Q1914 H1915 I1919 | Y1913-N1917 WeakPolarHBondContact CE1-ND2 3.38Å; Y1913-N1917 WeakPolarHBondContact CE2-ND2 3.44Å; Y1913-N1917 PolarHBondContact O-N 3.36Å; Y1913-N1917 VanDerWaalsContact O-N 3.13Å; Y1913-N1917 PolarHBondContact OH-ND2 3.29Å; Y1913-N1917 VanDerWaalsContact OH-ND2 3.12Å; Q1914-N1917 PolarHBondContact O-N 2.93Å; H1915-N1917 VanDerWaalsContact C-N 3.26Å; H1915-N1917 PolarHBondContact O-N 3Å; N1917-I1919 VanDerWaalsContact C-N 3.35Å |
| 1918 | R | 58.8 | Low | 57.1 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.8 | -32.5 | 172 | -95 | -176.4 | 170 | -149.8 | -7 | 112.6 | E1818 Q1914 H1915 K1920 | E1818-R1918 IonicContact OE1-CZ 3.16Å; E1818-R1918 IonicContact OE1-NH1 3.26Å; E1818-R1918 PolarHBondContact OE1-NH1 2.9Å; E1818-R1918 IonicContact OE1-NH2 3.12Å; E1818-R1918 PolarHBondContact OE1-NH2 3.07Å; Q1914-R1918 PolarHBondContact O-N 2.69Å; Q1914-R1918 VanDerWaalsContact O-N 3.1Å; H1915-R1918 PolarHBondContact O-N 2.99Å; H1915-R1918 VanDerWaalsContact O-N 3.16Å; R1918-K1920 VanDerWaalsContact C-N 3.34Å; R1918-K1920 PolarHBondContact O-N 2.7Å |
| 1919 | I | 51.5 | Low | 54.8 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.1 | -23.1 | -178.3 | -64.1 | 169.9 | 0 | 0 | 0 | 112.5 | H1915 K1916 N1917 H1921 T1922 | H1915-I1919 WeakPolarHBondContact NE2-CD1 3.39Å; H1915-I1919 PolarHBondContact O-N 3.45Å; K1916-I1919 PolarHBondContact O-N 3.26Å; N1917-I1919 VanDerWaalsContact C-N 3.35Å; I1919-H1921 PolarHBondContact O-N 3.16Å; I1919-T1922 PolarHBondContact O-N 3.35Å; I1919-T1922 PolarHBondContact O-OG1 2.77Å |
| 1920 | K | 45.5 | Very low | 52.7 | Low | 169 Ų | 169 | 111 Ų | 111 | 74% | 0.735 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -3.7 | -180 | -80.3 | -175.3 | 175 | 177.9 | 0 | 115.4 | R1918 | R1918-K1920 VanDerWaalsContact C-N 3.34Å; R1918-K1920 PolarHBondContact O-N 2.7Å |
| 1921 | H | 40 | Very low | 50.7 | Low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.815 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 7.8 | 176.6 | -82.2 | -67.1 | 0 | 0 | 0 | 115.5 | I1919 | I1919-H1921 PolarHBondContact O-N 3.16Š|
| 1922 | T | 33.4 | Very low | 48.8 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 69% | 0.693 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -125.8 | 130.1 | 172.4 | 46.9 | 0 | 0 | 0 | 0 | 111.4 | I1919 | I1919-T1922 PolarHBondContact O-N 3.35Å; I1919-T1922 PolarHBondContact O-OG1 2.77Å |
| 1923 | Y | 29.7 | Very low | 47.3 | Very low | 216 Ų | 216 | 122.1 Ų | 122.1 | 85% | 0.847 | 59% | 0.591 | S | S | * | * | trans | -55.4 | 143.7 | -168.2 | -122.5 | -103.4 | 0 | 0 | 0 | 115 | ||||
| 1924 | F | 31.9 | Very low | 45.9 | Very low | 171 Ų | 171 | 122.4 Ų | 122.4 | 75% | 0.75 | 60% | 0.602 | S | S | * | * | trans | 93.7 | 115.9 | 170 | -81.9 | -80.4 | 0 | 0 | 0 | 121 | ||||
| 1925 | D | 30.4 | Very low | 44.4 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | 54.4 | 112.4 | 153.1 | -67.6 | -18.4 | 0 | 0 | 0 | 121.7 | ||||
| 1926 | L | 35.6 | Very low | 43.6 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 87% | 0.869 | 63% | 0.629 | S | S | * | * | -176.3 | 111.4 | 105.5 | -89.7 | 159.8 | 0 | 0 | 0 | 110.3 | |||||
| 1927 | Q | 29.7 | Very low | 43.2 | Very low | 183 Ų | 183 | 122.6 Ų | 122.6 | 86% | 0.855 | 61% | 0.614 | S | S | * | * | trans | -76.6 | 141.7 | 155.1 | -72.2 | 179.4 | -13.1 | 0 | 0 | 107.9 | ||||
| 1928 | N | 33.7 | Very low | 43 | Very low | 150 Ų | 150 | 121 Ų | 121 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | trans | 88.4 | 86 | -178.8 | -57.9 | -23.9 | 0 | 0 | 0 | 116.5 | ||||
| 1929 | D | 37.8 | Very low | 43.2 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 61% | 0.608 | S | S | * | * | -164.9 | 112.1 | 124.2 | -108.6 | -21.8 | 0 | 0 | 0 | 111.1 | N1931 | D1929-N1931 PolarHBondContact O-N 3.01Š| |||
| 1930 | N | 35.4 | Very low | 44.4 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 89% | 0.888 | 59% | 0.59 | S | S | * | * | trans | -92.4 | 23.4 | -170.9 | -95.3 | -10.4 | 0 | 0 | 0 | 114.5 | ||||
| 1931 | N | 42.3 | Very low | 46.4 | Very low | 127 Ų | 127 | 107.2 Ų | 107.2 | 68% | 0.679 | 56% | 0.555 | S | S | * | * | trans | -111.2 | 20.8 | -172.6 | -85 | -13.2 | 0 | 0 | 0 | 116 | P1859 D1929 | P1859-N1931 HydrophobicContact CB-CB 4.34Å; P1859-N1931 HydrophobicContact CG-CB 3.66Å; P1859-N1931 WeakPolarHBondContact CG-O 3.34Å; D1929-N1931 PolarHBondContact O-N 3.01Å | ||
| 1932 | F | 45.3 | Very low | 48.6 | Very low | 54 Ų | 54 | 105.2 Ų | 105.2 | 24% | 0.237 | 54% | 0.544 | C | S | . | . | S | Bend | trans | -116.9 | 108.1 | 161.8 | -141 | -93.6 | 0 | 0 | 0 | 106.8 | D1858 S1934 V1937 | D1858-F1932 HydrophobicContact CB-CD2 4.35Å; D1858-F1932 HydrophobicContact CB-CE2 3.92Å; F1932-S1934 PolarHBondContact O-N 3.05Å; F1932-V1937 HydrophobicContact CE1-CG2 4.4Å |
| 1933 | D | 48.8 | Very low | 51.1 | Low | 106 Ų | 106 | 102.1 Ų | 102.1 | 57% | 0.567 | 53% | 0.534 | S | S | * | . | trans | -64 | 85 | 175.6 | -173.4 | -9.1 | 0 | 0 | 0 | 108.6 | D1935 S1936 | D1933-D1935 PolarHBondContact O-N 3.2Å; D1933-D1935 PolarHBondContact OD1-N 2.92Å; D1933-S1936 PolarHBondContact O-N 3.35Å; D1933-S1936 PolarHBondContact O-OG 2.96Å; D1933-S1936 PolarHBondContact OD1-N 2.96Å; D1933-S1936 VanDerWaalsContact OD1-N 3.14Å; D1933-S1936 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 1934 | S | 48.7 | Very low | 54 | Low | 65 Ų | 65 | 94.9 Ų | 94.9 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -20.6 | -176.7 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | F1932 | F1932-S1934 PolarHBondContact O-N 3.05Å |
| 1935 | D | 47.4 | Very low | 56.9 | Low | 119 Ų | 119 | 89.9 Ų | 89.9 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -84 | -30.3 | 177.9 | -74.5 | -18.4 | 0 | 0 | 0 | 112.1 | D1933 V1937 T1939 | D1933-D1935 PolarHBondContact O-N 3.2Å; D1933-D1935 PolarHBondContact OD1-N 2.92Å; D1935-V1937 PolarHBondContact O-N 3.13Å; D1935-T1939 PolarHBondContact O-N 3.31Å; D1935-T1939 PolarHBondContact O-OG1 3.34Å |
| 1936 | S | 58.6 | Low | 60 | Low | 45 Ų | 45 | 83.4 Ų | 83.4 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.4 | -31.4 | 177.1 | 73.7 | 0 | 0 | 0 | 0 | 114.4 | D1933 L1940 | D1933-S1936 PolarHBondContact O-N 3.35Å; D1933-S1936 PolarHBondContact O-OG 2.96Å; D1933-S1936 PolarHBondContact OD1-N 2.96Å; D1933-S1936 VanDerWaalsContact OD1-N 3.14Å; D1933-S1936 WeakPolarHBondContact OD2-CB 3.35Å; S1936-L1940 WeakPolarHBondContact O-CD1 3.35Å |
| 1937 | V | 60.3 | Low | 62.8 | Low | 8 Ų | 8 | 75.7 Ų | 75.7 | 5% | 0.048 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -87.5 | -40.8 | -176.3 | 180 | 0 | 0 | 0 | 0 | 111.8 | R1909 W1910 F1932 D1935 T1939 L1940 | R1909-V1937 HydrophobicContact CB-CG1 3.8Å; R1909-V1937 HydrophobicContact CB-CG2 4.15Å; R1909-V1937 HydrophobicContact CG-CG2 4.45Å; W1910-V1937 HydrophobicContact CE3-CG1 4.49Å; F1932-V1937 HydrophobicContact CE1-CG2 4.4Å; D1935-V1937 PolarHBondContact O-N 3.13Å; V1937-T1939 PolarHBondContact O-N 2.93Å; V1937-L1940 PolarHBondContact O-N 3.18Å |
| 1938 | A | 57.6 | Low | 65.9 | Low | 26 Ų | 26 | 67 Ų | 67 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.3 | -19.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1913 | Y1913-A1938 HydrophobicContact CE1-CB 4.26Å; Y1913-A1938 HydrophobicContact CE2-CB 4.21Å |
| 1939 | T | 62.9 | Low | 68.7 | Low | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.411 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 1.8 | -179.4 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | D1935 V1937 A1941 K1942 | D1935-T1939 PolarHBondContact O-N 3.31Å; D1935-T1939 PolarHBondContact O-OG1 3.34Å; V1937-T1939 PolarHBondContact O-N 2.93Å; T1939-A1941 PolarHBondContact O-N 2.86Å; T1939-K1942 HydrophobicContact CG2-CD 4.46Å; T1939-K1942 PolarHBondContact O-N 3.25Å |
| 1940 | L | 77.7 | Confident | 71.2 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.089 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -55.2 | -38.6 | -166.3 | -159.4 | 84.8 | 0 | 0 | 0 | 113.5 | F1906 S1936 V1937 K1944 L2066 | F1906-L1940 HydrophobicContact CD2-CD2 3.49Å; F1906-L1940 VanDerWaalsContact CD2-CD2 3.49Å; F1906-L1940 HydrophobicContact CE2-CB 4.41Å; F1906-L1940 HydrophobicContact CE2-CD2 4.01Å; S1936-L1940 WeakPolarHBondContact O-CD1 3.35Å; V1937-L1940 PolarHBondContact O-N 3.18Å; L1940-K1944 WeakPolarHBondContact O-CD 3.4Å; L1940-K1944 WeakPolarHBondContact O-CE 3.43Å; L1940-K1944 PolarHBondContact O-NZ 2.85Å; L1940-L2066 HydrophobicContact CD2-CD1 4.37Å; L1940-L2066 HydrophobicContact CG-CD1 4.48Å |
| 1941 | A | 87 | Confident | 73.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -107.2 | -8.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F1906 T1939 G1943 K1944 V1946 H1965 A1967 L2066 | F1906-A1941 HydrophobicContact CE2-CB 4.5Å; F1906-A1941 HydrophobicContact CZ-CB 4.41Å; T1939-A1941 PolarHBondContact O-N 2.86Å; A1941-G1943 PolarHBondContact O-N 2.88Å; A1941-K1944 PolarHBondContact O-N 2.86Å; A1941-V1946 HydrophobicContact CB-CG2 4.16Å; A1941-H1965 HydrophobicContact CB-CB 4.06Å; A1941-A1967 WeakPolarHBondContact O-CA 3.43Å; A1941-A1967 WeakPolarHBondContact O-CB 3.07Å; A1941-L2066 HydrophobicContact CB-CD2 3.91Å |
| 1942 | K | 86.9 | Confident | 75.6 | Confident | 135 Ų | 135 | 43.7 Ų | 43.7 | 59% | 0.587 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 124.1 | -174 | -176.3 | 176.6 | -179.8 | -178.2 | 0 | 110.2 | T1939 K1944 H1965 | T1939-K1942 HydrophobicContact CG2-CD 4.46Å; T1939-K1942 PolarHBondContact O-N 3.25Å; K1942-K1944 PolarHBondContact O-N 2.85Å; K1942-H1965 WeakPolarHBondContact CA-O 3.48Å; K1942-H1965 VanDerWaalsContact CB-O 3.28Å; K1942-H1965 WeakPolarHBondContact CB-O 3.37Å; K1942-H1965 WeakPolarHBondContact CG-O 3.27Å |
| 1943 | G | 86.6 | Confident | 77.5 | Confident | 48 Ų | 48 | 44.6 Ų | 44.6 | 50% | 0.495 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 18.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | A1941 G1966 | A1941-G1943 PolarHBondContact O-N 2.88Å; G1943-G1966 PolarHBondContact N-O 3.25Å |
| 1944 | K | 90.3 | Very high | 79.4 | Confident | 64 Ų | 64 | 41.6 Ų | 41.6 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | trans | -106.4 | 155.4 | 178.6 | -64.5 | -164.8 | -167.6 | 169.2 | 0 | 112.1 | L1940 A1941 K1942 V1946 E1968 D2065 L2066 | L1940-K1944 WeakPolarHBondContact O-CD 3.4Å; L1940-K1944 WeakPolarHBondContact O-CE 3.43Å; L1940-K1944 PolarHBondContact O-NZ 2.85Å; A1941-K1944 PolarHBondContact O-N 2.86Å; K1942-K1944 PolarHBondContact O-N 2.85Å; K1944-V1946 HydrophobicContact CB-CG2 4.47Å; K1944-E1968 PolarHBondContact O-N 3.13Å; K1944-D2065 HydrophobicContact CB-CB 4.13Å; K1944-D2065 HydrophobicContact CD-CB 4.2Å; K1944-D2065 HydrophobicContact CG-CB 4.28Å; K1944-L2066 HydrophobicContact CD-CB 4.23Å | ||
| 1945 | R | 92.9 | Very high | 81.4 | Confident | 65 Ų | 65 | 38.6 Ų | 38.6 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 105.4 | 167.6 | -59.5 | 166.6 | -63.6 | 175.8 | 8.2 | 108.9 | N1969 E2063 C2064 D2065 L2066 | R1945-N1969 HydrophobicContact CG-CB 4.37Å; R1945-E2063 IonicContact CZ-OE2 3.7Å; R1945-E2063 VanDerWaalsContact NH1-CB 3.26Å; R1945-E2063 IonicContact NH1-OE2 2.7Å; R1945-E2063 PolarHBondContact NH1-OE2 3.45Å; R1945-C2064 WeakPolarHBondContact O-CA 3.33Å; R1945-D2065 WeakPolarHBondContact CB-OD2 3.37Å; R1945-D2065 IonicContact CZ-OD1 3.73Å; R1945-D2065 IonicContact CZ-OD2 3.72Å; R1945-D2065 PolarHBondContact N-OD2 3.18Å; R1945-D2065 IonicContact NE-OD1 2.89Å; R1945-D2065 PolarHBondContact NE-OD1 2.99Å; R1945-D2065 IonicContact NE-OD2 3.83Å; R1945-D2065 PolarHBondContact NE-OD2 3.14Å; R1945-D2065 IonicContact NH2-OD1 3.48Å; R1945-D2065 PolarHBondContact NH2-OD1 3.23Å; R1945-D2065 IonicContact NH2-OD2 2.62Å; R1945-D2065 PolarHBondContact O-N 2.9Å; R1945-L2066 PolarHBondContact O-N 3.37Å |
| 1946 | V | 93.8 | Very high | 83.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.9 | -172.8 | -173 | 0 | 0 | 0 | 0 | 110.2 | A1941 K1944 I1948 A1967 N1969 I1970 R1971 L2066 L2068 | A1941-V1946 HydrophobicContact CB-CG2 4.16Å; K1944-V1946 HydrophobicContact CB-CG2 4.47Å; V1946-I1948 HydrophobicContact CG1-CG1 4.21Å; V1946-A1967 HydrophobicContact CG2-CB 3.85Å; V1946-N1969 PolarHBondContact N-O 3.39Å; V1946-I1970 HydrophobicContact CB-CG1 4.32Å; V1946-I1970 CarbonylContact O-C 3.48Å; V1946-I1970 VanDerWaalsContact O-CA 3.28Å; V1946-I1970 WeakPolarHBondContact O-CA 3.5Å; V1946-R1971 PolarHBondContact O-N 2.94Å; V1946-L2066 CarbonylContact C-O 3.52Å; V1946-L2066 WeakPolarHBondContact CA-O 3.34Å; V1946-L2066 HydrophobicContact CG1-CD2 4.05Å; V1946-L2066 HydrophobicContact CG1-CG 4.31Å; V1946-L2066 HydrophobicContact CG2-CB 4.31Å; V1946-L2066 HydrophobicContact CG2-CD2 3.94Å; V1946-L2068 HydrophobicContact CG1-CD1 4.11Å; V1946-L2068 HydrophobicContact CG1-CG 4.31Å |
| 1947 | V | 94.9 | Very high | 85.1 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.6 | 168.3 | 170.1 | 0 | 0 | 0 | 0 | 108.8 | L1949 R1971 F1973 I2035 C2064 L2066 V2067 L2068 | V1947-L1949 HydrophobicContact CG1-CD2 3.79Å; V1947-L1949 HydrophobicContact CG1-CG 4.37Å; V1947-R1971 CarbonylContact C-O 3.58Å; V1947-R1971 WeakPolarHBondContact CA-O 3.4Å; V1947-R1971 HydrophobicContact CG2-CB 4.47Å; V1947-F1973 HydrophobicContact CG1-CD2 3.72Å; V1947-F1973 HydrophobicContact CG1-CE2 3.65Å; V1947-F1973 HydrophobicContact CG2-CE2 4.41Å; V1947-I2035 HydrophobicContact CG1-CD1 4.21Å; V1947-I2035 HydrophobicContact CG2-CG2 4.39Å; V1947-C2064 HydrophobicContact CB-CB 4.13Å; V1947-C2064 HydrophobicContact CG2-CB 3.47Å; V1947-C2064 VanDerWaalsContact CG2-CB 3.47Å; V1947-L2066 PolarHBondContact N-O 3.16Å; V1947-V2067 HydrophobicContact CB-CG2 4.41Å; V1947-V2067 CarbonylContact O-C 3.08Å; V1947-V2067 VanDerWaalsContact O-CA 3.23Å; V1947-V2067 WeakPolarHBondContact O-CA 3.43Å; V1947-L2068 PolarHBondContact O-N 2.69Å |
| 1948 | I | 95 | Very high | 86.6 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122 | 175.3 | -56.8 | 172.6 | 0 | 0 | 0 | 107.5 | V1946 C1958 I1959 I1970 R1971 V1972 F1973 L2068 A2070 | V1946-I1948 HydrophobicContact CG1-CG1 4.21Å; I1948-C1958 HydrophobicContact CD1-CB 3.79Å; I1948-I1959 HydrophobicContact CD1-CB 4.37Å; I1948-I1959 HydrophobicContact CD1-CG1 3.52Å; I1948-I1970 HydrophobicContact CD1-CG2 4.07Å; I1948-R1971 PolarHBondContact N-O 2.61Å; I1948-V1972 HydrophobicContact CB-CG1 4.39Å; I1948-V1972 HydrophobicContact CB-CG2 4.21Å; I1948-V1972 HydrophobicContact CD1-CG2 4.34Å; I1948-V1972 CarbonylContact O-C 3.56Å; I1948-V1972 WeakPolarHBondContact O-CA 3.38Å; I1948-F1973 PolarHBondContact O-N 2.86Å; I1948-L2068 CarbonylContact C-O 3.59Å; I1948-L2068 WeakPolarHBondContact CA-O 3.46Å; I1948-L2068 HydrophobicContact CG1-CB 4.22Å; I1948-L2068 HydrophobicContact CG1-CD1 4.31Å; I1948-A2070 HydrophobicContact CG2-CB 3.89Å |
| 1949 | L | 93.5 | Very high | 88.3 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 117.2 | 177.5 | -61.8 | -172.1 | 0 | 0 | 0 | 110.1 | L1890 V1947 F1973 T2021 F2024 I2035 V2067 L2068 L2069 A2070 M2071 | L1890-L1949 HydrophobicContact CD2-CD1 4.02Å; V1947-L1949 HydrophobicContact CG1-CD2 3.79Å; V1947-L1949 HydrophobicContact CG1-CG 4.37Å; L1949-F1973 HydrophobicContact CD2-CB 3.93Å; L1949-F1973 HydrophobicContact CD2-CD2 3.58Å; L1949-F1973 HydrophobicContact CD2-CG 4.23Å; L1949-T2021 HydrophobicContact CD1-CG2 4.35Å; L1949-F2024 HydrophobicContact CD1-CE1 3.76Å; L1949-F2024 HydrophobicContact CD1-CZ 3.69Å; L1949-I2035 HydrophobicContact CD1-CD1 3.95Å; L1949-I2035 HydrophobicContact CD2-CD1 3.69Å; L1949-I2035 HydrophobicContact CG-CD1 4.28Å; L1949-V2067 HydrophobicContact CD1-CG1 3.93Å; L1949-V2067 HydrophobicContact CG-CG1 3.91Å; L1949-L2068 PolarHBondContact N-O 2.99Å; L1949-L2069 HydrophobicContact CB-CD2 4.09Å; L1949-L2069 HydrophobicContact CD1-CD2 3.72Å; L1949-L2069 HydrophobicContact CG-CD2 4.24Å; L1949-A2070 CarbonylContact O-C 3.55Å; L1949-A2070 WeakPolarHBondContact O-CA 3.25Å; L1949-A2070 PolarHBondContact O-N 2.82Å; L1949-M2071 WeakPolarHBondContact O-CG 3.26Å |
| 1950 | G | 89.3 | Confident | 89.7 | Confident | 18 Ų | 18 | 26.6 Ų | 26.6 | 19% | 0.186 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 97.8 | -177.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1972 F1973 | G1950-V1972 WeakPolarHBondContact O-CG1 3.3Å; G1950-F1973 PolarHBondContact N-O 3.24Å |
| 1951 | G | 85 | Confident | 90.3 | Very high | 23 Ų | 23 | 25.8 Ų | 25.8 | 24% | 0.237 | 16% | 0.158 | C | C | . | . | trans | -145.1 | -148.4 | -170 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1952 | G | 84.9 | Confident | 90.5 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 49% | 0.485 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | 69.9 | -168.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1954 G1955 V1956 | G1952-T1954 VanDerWaalsContact C-N 3.3Å; G1952-T1954 PolarHBondContact O-N 3.1Å; G1952-G1955 PolarHBondContact O-N 3.41Å; G1952-V1956 WeakPolarHBondContact O-CG2 3.31Å; G1952-V1956 PolarHBondContact O-N 3.29Å |
| 1953 | D | 85.3 | Confident | 90.7 | Very high | 74 Ų | 74 | 19.6 Ų | 19.6 | 40% | 0.396 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -58.1 | -41.1 | -173.8 | -68.8 | -22.1 | 0 | 0 | 0 | 112.4 | G1955 V1956 D1957 | D1953-G1955 VanDerWaalsContact C-N 3.31Å; D1953-G1955 PolarHBondContact O-N 2.85Å; D1953-V1956 PolarHBondContact O-N 3.45Å; D1953-D1957 WeakPolarHBondContact O-CB 3.34Å; D1953-D1957 PolarHBondContact O-N 3.32Å |
| 1954 | T | 88.8 | Confident | 90.7 | Very high | 42 Ų | 42 | 18.6 Ų | 18.6 | 26% | 0.258 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 177.3 | -53.1 | 0 | 0 | 0 | 0 | 112 | A1903 L1907 G1952 C1958 A2070 | A1903-T1954 HydrophobicContact CB-CG2 3.59Å; L1907-T1954 HydrophobicContact CD1-CG2 4.29Å; G1952-T1954 VanDerWaalsContact C-N 3.3Å; G1952-T1954 PolarHBondContact O-N 3.1Å; T1954-C1958 PolarHBondContact O-N 3.27Å; T1954-C1958 PolarHBondContact O-SG 3.44Å; T1954-A2070 HydrophobicContact CG2-CB 4.38Å |
| 1955 | G | 91.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1952 D1953 D1957 C1958 I1959 | G1952-G1955 PolarHBondContact O-N 3.41Å; D1953-G1955 VanDerWaalsContact C-N 3.31Å; D1953-G1955 PolarHBondContact O-N 2.85Å; G1955-D1957 VanDerWaalsContact C-N 3.31Å; G1955-D1957 PolarHBondContact O-N 2.91Å; G1955-C1958 WeakPolarHBondContact O-CB 3.45Å; G1955-C1958 PolarHBondContact O-N 3.03Å; G1955-C1958 VanDerWaalsContact O-N 3.13Å; G1955-I1959 WeakPolarHBondContact O-CG1 3.33Å; G1955-I1959 PolarHBondContact O-N 3.36Å |
| 1956 | V | 91.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 14.3 Ų | 14.3 | 3% | 0.03 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.5 | -43.4 | 177.3 | 177 | 0 | 0 | 0 | 0 | 111.8 | G1952 D1953 C1958 I1959 A1960 D2000 Y2001 H2003 | G1952-V1956 WeakPolarHBondContact O-CG2 3.31Å; G1952-V1956 PolarHBondContact O-N 3.29Å; D1953-V1956 PolarHBondContact O-N 3.45Å; V1956-C1958 VanDerWaalsContact C-N 3.31Å; V1956-C1958 PolarHBondContact O-N 2.62Å; V1956-I1959 WeakPolarHBondContact O-CB 3.36Å; V1956-I1959 PolarHBondContact O-N 3.46Å; V1956-A1960 WeakPolarHBondContact O-CB 3.49Å; V1956-A1960 PolarHBondContact O-N 3.3Å; V1956-D2000 HydrophobicContact CG1-CB 4.03Å; V1956-D2000 HydrophobicContact CG2-CB 4.4Å; V1956-Y2001 HydrophobicContact CG1-CD1 4.03Å; V1956-Y2001 HydrophobicContact CG1-CE1 3.68Å; V1956-H2003 WeakPolarHBondContact CG2-CE1 3.32Å |
| 1957 | D | 91.9 | Very high | 90 | Very high | 8 Ų | 8 | 14.3 Ų | 14.3 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 178.9 | -68.4 | -2.2 | 0 | 0 | 0 | 110.7 | P1811 K1814 L1907 D1953 G1955 T1961 Y2001 | P1811-D1957 VanDerWaalsContact CD-OD2 3.22Å; P1811-D1957 WeakPolarHBondContact CD-OD2 3.42Å; P1811-D1957 HydrophobicContact CG-CB 3.75Å; K1814-D1957 IonicContact NZ-OD1 2.77Å; K1814-D1957 PolarHBondContact NZ-OD1 2.98Å; K1814-D1957 IonicContact NZ-OD2 3.62Å; L1907-D1957 HydrophobicContact CD1-CB 4.11Å; L1907-D1957 HydrophobicContact CD2-CB 4.36Å; D1953-D1957 WeakPolarHBondContact O-CB 3.34Å; D1953-D1957 PolarHBondContact O-N 3.32Å; G1955-D1957 VanDerWaalsContact C-N 3.31Å; G1955-D1957 PolarHBondContact O-N 2.91Å; D1957-T1961 VanDerWaalsContact O-CB 3.25Å; D1957-T1961 WeakPolarHBondContact O-CB 3.32Å; D1957-T1961 PolarHBondContact O-N 3.47Å; D1957-T1961 PolarHBondContact O-OG1 3.49Å; D1957-Y2001 PolarHBondContact OD1-OH 2.96Å |
| 1958 | C | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.8 | -40.9 | 173.5 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | I1948 T1954 G1955 V1956 S1962 L2068 | I1948-C1958 HydrophobicContact CD1-CB 3.79Å; T1954-C1958 PolarHBondContact O-N 3.27Å; T1954-C1958 PolarHBondContact O-SG 3.44Å; G1955-C1958 WeakPolarHBondContact O-CB 3.45Å; G1955-C1958 PolarHBondContact O-N 3.03Å; G1955-C1958 VanDerWaalsContact O-N 3.13Å; V1956-C1958 VanDerWaalsContact C-N 3.31Å; V1956-C1958 PolarHBondContact O-N 2.62Å; C1958-S1962 VanDerWaalsContact O-CB 3.24Å; C1958-S1962 WeakPolarHBondContact O-CB 3.5Å; C1958-S1962 PolarHBondContact O-N 2.89Å; C1958-S1962 PolarHBondContact O-OG 3.39Å; C1958-L2068 HydrophobicContact CB-CD1 3.9Å |
| 1959 | I | 92.7 | Very high | 89.5 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.9 | -57.4 | 174.3 | -64.1 | 165.1 | 0 | 0 | 0 | 109.1 | I1948 G1955 V1956 T1961 S1962 V1963 I1970 V1972 G2002 V2006 P2014 | I1948-I1959 HydrophobicContact CD1-CB 4.37Å; I1948-I1959 HydrophobicContact CD1-CG1 3.52Å; G1955-I1959 WeakPolarHBondContact O-CG1 3.33Å; G1955-I1959 PolarHBondContact O-N 3.36Å; V1956-I1959 WeakPolarHBondContact O-CB 3.36Å; V1956-I1959 PolarHBondContact O-N 3.46Å; I1959-T1961 VanDerWaalsContact C-N 3.29Å; I1959-T1961 PolarHBondContact O-N 3.24Å; I1959-S1962 PolarHBondContact O-N 3.3Å; I1959-S1962 VanDerWaalsContact O-N 3.12Å; I1959-V1963 HydrophobicContact CG2-CG2 4.33Å; I1959-V1963 WeakPolarHBondContact O-CG2 3.46Å; I1959-V1963 PolarHBondContact O-N 2.95Å; I1959-I1970 HydrophobicContact CG1-CG2 4.33Å; I1959-I1970 HydrophobicContact CG2-CD1 4.47Å; I1959-V1972 HydrophobicContact CD1-CG2 3.6Å; I1959-V1972 HydrophobicContact CG1-CG2 3.85Å; I1959-G2002 WeakPolarHBondContact CG2-O 3.29Å; I1959-V2006 HydrophobicContact CG2-CB 3.74Å; I1959-V2006 HydrophobicContact CG2-CG1 3.65Å; I1959-V2006 HydrophobicContact CG2-CG2 4.42Å; I1959-P2014 HydrophobicContact CD1-CG 4.36Å |
| 1960 | A | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1813 V1956 R1964 Y2001 E2005 | M1813-A1960 HydrophobicContact CE-CB 3.59Å; V1956-A1960 WeakPolarHBondContact O-CB 3.49Å; V1956-A1960 PolarHBondContact O-N 3.3Å; A1960-R1964 WeakPolarHBondContact O-CG 3.11Å; A1960-R1964 PolarHBondContact O-N 3.17Å; A1960-R1964 PolarHBondContact O-NH1 2.79Å; A1960-R1964 VanDerWaalsContact O-NH1 3.09Å; A1960-Y2001 HydrophobicContact CB-CD2 3.99Å; A1960-Y2001 HydrophobicContact CB-CE2 3.27Å; A1960-E2005 WeakPolarHBondContact CB-OE2 3.2Å |
| 1961 | T | 90.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -43.3 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 110.6 | W1646 M1813 F1906 L1907 W1910 D1957 I1959 R1964 H1965 | W1646-T1961 HydrophobicContact CH2-CG2 4.03Å; W1646-T1961 HydrophobicContact CZ3-CG2 4.39Å; M1813-T1961 WeakPolarHBondContact CE-OG1 3.41Å; F1906-T1961 HydrophobicContact CE1-CG2 3.77Å; F1906-T1961 HydrophobicContact CZ-CG2 3.73Å; L1907-T1961 HydrophobicContact CD2-CG2 4.49Å; W1910-T1961 HydrophobicContact CG-CG2 4.15Å; D1957-T1961 VanDerWaalsContact O-CB 3.25Å; D1957-T1961 WeakPolarHBondContact O-CB 3.32Å; D1957-T1961 PolarHBondContact O-N 3.47Å; D1957-T1961 PolarHBondContact O-OG1 3.49Å; I1959-T1961 VanDerWaalsContact C-N 3.29Å; I1959-T1961 PolarHBondContact O-N 3.24Å; T1961-R1964 PolarHBondContact O-N 2.79Å; T1961-H1965 PolarHBondContact O-CD2 3.13Å; T1961-H1965 PolarHBondContact O-N 3.39Å |
| 1962 | S | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -38.5 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | C1958 I1959 R1964 H1965 G1966 A1967 | C1958-S1962 VanDerWaalsContact O-CB 3.24Å; C1958-S1962 WeakPolarHBondContact O-CB 3.5Å; C1958-S1962 PolarHBondContact O-N 2.89Å; C1958-S1962 PolarHBondContact O-OG 3.39Å; I1959-S1962 PolarHBondContact O-N 3.3Å; I1959-S1962 VanDerWaalsContact O-N 3.12Å; S1962-R1964 PolarHBondContact O-N 2.87Å; S1962-H1965 PolarHBondContact O-N 3.42Å; S1962-G1966 PolarHBondContact O-N 3.04Å; S1962-A1967 WeakPolarHBondContact O-CB 3.22Å; S1962-A1967 PolarHBondContact O-N 2.85Å |
| 1963 | V | 90.1 | Very high | 90.3 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.024 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | V1643 I1959 H1965 G1966 I1970 E2005 V2006 R2009 | V1643-V1963 HydrophobicContact CB-CG1 4.44Å; V1643-V1963 HydrophobicContact CG1-CG1 3.92Å; I1959-V1963 HydrophobicContact CG2-CG2 4.33Å; I1959-V1963 WeakPolarHBondContact O-CG2 3.46Å; I1959-V1963 PolarHBondContact O-N 2.95Å; V1963-H1965 VanDerWaalsContact C-N 3.32Å; V1963-H1965 PolarHBondContact O-N 3.24Å; V1963-G1966 PolarHBondContact O-N 3Å; V1963-I1970 HydrophobicContact CB-CD1 4.44Å; V1963-I1970 HydrophobicContact CG2-CD1 3.48Å; V1963-I1970 VanDerWaalsContact CG2-CD1 3.48Å; V1963-E2005 HydrophobicContact CG1-CB 4.41Å; V1963-V2006 HydrophobicContact CG2-CB 3.7Å; V1963-V2006 HydrophobicContact CG2-CG2 4.02Å; V1963-R2009 PolarHBondContact O-NH1 2.86Å |
| 1964 | R | 87.6 | Confident | 90.6 | Very high | 28 Ų | 28 | 21.8 Ų | 21.8 | 11% | 0.106 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.5 | -28.8 | 179 | -72.8 | 176.1 | 178.1 | 73.3 | 0.7 | 113.5 | R1642 D1645 W1646 M1813 A1960 T1961 S1962 G1966 E2005 | R1642-R1964 PolarHBondContact O-NE 2.86Å; R1642-R1964 PolarHBondContact O-NH2 3.17Å; D1645-R1964 WeakPolarHBondContact O-CD 3.44Å; D1645-R1964 PolarHBondContact O-NE 2.85Å; W1646-R1964 HydrophobicContact CH2-CB 3.53Å; W1646-R1964 HydrophobicContact CH2-CG 4.27Å; W1646-R1964 HydrophobicContact CZ2-CB 3.41Å; W1646-R1964 VanDerWaalsContact CZ2-CB 3.41Å; W1646-R1964 HydrophobicContact CZ2-CG 4.27Å; W1646-R1964 HydrophobicContact CZ3-CB 4.29Å; M1813-R1964 VanDerWaalsContact SD-CD 3.56Å; M1813-R1964 PolarHBondContact SD-NE 3.29Å; M1813-R1964 VanDerWaalsContact SD-NE 3.37Å; M1813-R1964 PolarHBondContact SD-NH1 3.45Å; A1960-R1964 WeakPolarHBondContact O-CG 3.11Å; A1960-R1964 PolarHBondContact O-N 3.17Å; A1960-R1964 PolarHBondContact O-NH1 2.79Å; A1960-R1964 VanDerWaalsContact O-NH1 3.09Å; T1961-R1964 PolarHBondContact O-N 2.79Å; S1962-R1964 PolarHBondContact O-N 2.87Å; R1964-G1966 PolarHBondContact O-N 3.13Å; R1964-E2005 IonicContact CZ-OE1 3.77Å; R1964-E2005 IonicContact CZ-OE2 3.42Å; R1964-E2005 VanDerWaalsContact NH1-CD 3.34Å; R1964-E2005 IonicContact NH1-OE1 3.22Å; R1964-E2005 PolarHBondContact NH1-OE1 2.68Å; R1964-E2005 IonicContact NH1-OE2 2.73Å; R1964-E2005 PolarHBondContact NH1-OE2 2.74Å; R1964-E2005 IonicContact NH2-OE1 3.99Å; R1964-E2005 PolarHBondContact NH2-OE1 3.4Å; R1964-E2005 IonicContact NH2-OE2 3.66Å |
| 1965 | H | 87 | Confident | 90.6 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 7% | 0.069 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.5 | -14.9 | 171.7 | -72.5 | -168.4 | 0 | 0 | 0 | 113.1 | W1646 F1906 W1910 A1941 K1942 T1961 S1962 V1963 | W1646-H1965 AromaticContact CH2-CD2 3.94Å; W1646-H1965 AromaticContact CH2-NE2 3.98Å; W1646-H1965 AromaticContact CZ2-CD2 3.94Å; F1906-H1965 AromaticContact CE2-CE1 3.8Å; F1906-H1965 AromaticContact CE2-ND1 3.84Å; F1906-H1965 AromaticContact CZ-CE1 3.86Å; F1906-H1965 AromaticContact CZ-ND1 3.84Å; W1910-H1965 AromaticContact CD2-CE1 3.72Å; W1910-H1965 AromaticContact CD2-NE2 3.09Å; W1910-H1965 AromaticContact CE2-NE2 3.34Å; W1910-H1965 VanDerWaalsContact CE2-NE2 3.34Å; W1910-H1965 AromaticContact CE3-CE1 3.57Å; W1910-H1965 AromaticContact CE3-NE2 3.21Å; W1910-H1965 AromaticContact CG-NE2 3.65Å; W1910-H1965 AromaticContact CH2-NE2 3.78Å; W1910-H1965 AromaticContact CZ2-NE2 3.71Å; W1910-H1965 AromaticContact CZ3-NE2 3.54Å; W1910-H1965 AromaticContact NE1-NE2 3.91Å; A1941-H1965 HydrophobicContact CB-CB 4.06Å; K1942-H1965 WeakPolarHBondContact CA-O 3.48Å; K1942-H1965 VanDerWaalsContact CB-O 3.28Å; K1942-H1965 WeakPolarHBondContact CB-O 3.37Å; K1942-H1965 WeakPolarHBondContact CG-O 3.27Å; T1961-H1965 PolarHBondContact O-CD2 3.13Å; T1961-H1965 PolarHBondContact O-N 3.39Å; S1962-H1965 PolarHBondContact O-N 3.42Å; V1963-H1965 VanDerWaalsContact C-N 3.32Å; V1963-H1965 PolarHBondContact O-N 3.24Å |
| 1966 | G | 86.7 | Confident | 90.4 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 24% | 0.237 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 31.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1943 S1962 V1963 R1964 R2009 | G1943-G1966 PolarHBondContact N-O 3.25Å; S1962-G1966 PolarHBondContact O-N 3.04Å; V1963-G1966 PolarHBondContact O-N 3Å; R1964-G1966 PolarHBondContact O-N 3.13Å; G1966-R2009 PolarHBondContact O-NH2 2.86Å |
| 1967 | A | 89.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | trans | -53.7 | 139.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1941 V1946 S1962 I1970 R2009 | A1941-A1967 WeakPolarHBondContact O-CA 3.43Å; A1941-A1967 WeakPolarHBondContact O-CB 3.07Å; V1946-A1967 HydrophobicContact CG2-CB 3.85Å; S1962-A1967 WeakPolarHBondContact O-CB 3.22Å; S1962-A1967 PolarHBondContact O-N 2.85Å; A1967-I1970 HydrophobicContact CB-CD1 4.1Å; A1967-I1970 HydrophobicContact CB-CG1 3.89Å; A1967-R2009 PolarHBondContact O-NE 3.42Å; A1967-R2009 PolarHBondContact O-NH2 2.82Å | ||
| 1968 | E | 88 | Confident | 90 | Very high | 126 Ų | 126 | 31.5 Ų | 31.5 | 59% | 0.589 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -69.7 | -49.3 | -179.1 | -176.2 | -175 | 176.2 | 0 | 0 | 110.7 | K1944 | K1944-E1968 PolarHBondContact O-N 3.13Š|
| 1969 | N | 89.7 | Confident | 89.7 | Confident | 58 Ų | 58 | 33.6 Ų | 33.6 | 31% | 0.31 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.7 | 178.4 | -164.1 | -47.2 | 0 | 0 | 0 | 109.3 | R1945 V1946 | R1945-N1969 HydrophobicContact CG-CB 4.37Å; V1946-N1969 PolarHBondContact N-O 3.39Å |
| 1970 | I | 92.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 125.2 | 176.2 | -53.7 | 172 | 0 | 0 | 0 | 108.8 | V1946 I1948 I1959 V1963 A1967 V2006 | V1946-I1970 HydrophobicContact CB-CG1 4.32Å; V1946-I1970 CarbonylContact O-C 3.48Å; V1946-I1970 VanDerWaalsContact O-CA 3.28Å; V1946-I1970 WeakPolarHBondContact O-CA 3.5Å; I1948-I1970 HydrophobicContact CD1-CG2 4.07Å; I1959-I1970 HydrophobicContact CG1-CG2 4.33Å; I1959-I1970 HydrophobicContact CG2-CD1 4.47Å; V1963-I1970 HydrophobicContact CB-CD1 4.44Å; V1963-I1970 HydrophobicContact CG2-CD1 3.48Å; V1963-I1970 VanDerWaalsContact CG2-CD1 3.48Å; A1967-I1970 HydrophobicContact CB-CD1 4.1Å; A1967-I1970 HydrophobicContact CB-CG1 3.89Å; I1970-V2006 HydrophobicContact CB-CG2 4Å; I1970-V2006 HydrophobicContact CD1-CG2 3.97Å; I1970-V2006 HydrophobicContact CG1-CG2 4.35Å |
| 1971 | R | 91.9 | Very high | 89 | Confident | 98 Ų | 98 | 42.1 Ų | 42.1 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 149 | 170.5 | -63.4 | -172.4 | -173.1 | -159.1 | 4.5 | 110.7 | V1946 V1947 I1948 | V1946-R1971 PolarHBondContact O-N 2.94Å; V1947-R1971 CarbonylContact C-O 3.58Å; V1947-R1971 WeakPolarHBondContact CA-O 3.4Å; V1947-R1971 HydrophobicContact CG2-CB 4.47Å; I1948-R1971 PolarHBondContact N-O 2.61Å |
| 1972 | V | 93.4 | Very high | 88.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 124.9 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | I1948 G1950 I1959 P2014 R2015 Q2016 | I1948-V1972 HydrophobicContact CB-CG1 4.39Å; I1948-V1972 HydrophobicContact CB-CG2 4.21Å; I1948-V1972 HydrophobicContact CD1-CG2 4.34Å; I1948-V1972 CarbonylContact O-C 3.56Å; I1948-V1972 WeakPolarHBondContact O-CA 3.38Å; G1950-V1972 WeakPolarHBondContact O-CG1 3.3Å; I1959-V1972 HydrophobicContact CD1-CG2 3.6Å; I1959-V1972 HydrophobicContact CG1-CG2 3.85Å; V1972-P2014 HydrophobicContact CG2-CB 4.24Å; V1972-P2014 HydrophobicContact CG2-CG 4.39Å; V1972-P2014 PolarHBondContact N-O 3.29Å; V1972-R2015 HydrophobicContact CB-CG 4.1Å; V1972-R2015 HydrophobicContact CG1-CG 4.36Å; V1972-R2015 CarbonylContact O-C 3.44Å; V1972-R2015 WeakPolarHBondContact O-CA 3.46Å; V1972-Q2016 PolarHBondContact O-N 2.87Å |
| 1973 | F | 93.6 | Very high | 88.1 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.1 | 174.9 | -60.4 | -39.2 | 0 | 0 | 0 | 110.7 | V1947 I1948 L1949 G1950 Q2016 T2019 I2035 T2037 F2062 | V1947-F1973 HydrophobicContact CG1-CD2 3.72Å; V1947-F1973 HydrophobicContact CG1-CE2 3.65Å; V1947-F1973 HydrophobicContact CG2-CE2 4.41Å; I1948-F1973 PolarHBondContact O-N 2.86Å; L1949-F1973 HydrophobicContact CD2-CB 3.93Å; L1949-F1973 HydrophobicContact CD2-CD2 3.58Å; L1949-F1973 HydrophobicContact CD2-CG 4.23Å; G1950-F1973 PolarHBondContact N-O 3.24Å; F1973-Q2016 WeakPolarHBondContact CA-O 3.4Å; F1973-Q2016 HydrophobicContact CD1-CB 3.89Å; F1973-Q2016 HydrophobicContact CD1-CG 4.19Å; F1973-Q2016 HydrophobicContact CE1-CB 4.1Å; F1973-Q2016 HydrophobicContact CE1-CG 4.28Å; F1973-T2019 HydrophobicContact CB-CG2 4.23Å; F1973-T2019 HydrophobicContact CD1-CG2 3.99Å; F1973-T2019 HydrophobicContact CG-CG2 4.01Å; F1973-I2035 HydrophobicContact CD2-CD1 4.32Å; F1973-I2035 HydrophobicContact CE2-CD1 4.31Å; F1973-I2035 HydrophobicContact CE2-CG2 3.81Å; F1973-T2037 HydrophobicContact CD2-CG2 4.04Å; F1973-T2037 HydrophobicContact CE2-CG2 3.89Å; F1973-F2062 HydrophobicContact CE1-CD2 4.06Å; F1973-F2062 HydrophobicContact CE1-CE2 4Å; F1973-F2062 HydrophobicContact CE1-CZ 4.5Å; F1973-F2062 AromaticContact CE2-CD2 3.91Å; F1973-F2062 HydrophobicContact CE2-CD2 3.91Å; F1973-F2062 HydrophobicContact CE2-CG 4.47Å; F1973-F2062 HydrophobicContact CZ-CB 4.13Å; F1973-F2062 HydrophobicContact CZ-CD1 4.5Å; F1973-F2062 AromaticContact CZ-CD2 3.29Å; F1973-F2062 HydrophobicContact CZ-CD2 3.29Å; F1973-F2062 AromaticContact CZ-CE2 3.7Å; F1973-F2062 HydrophobicContact CZ-CE2 3.7Å; F1973-F2062 AromaticContact CZ-CG 3.71Å; F1973-F2062 HydrophobicContact CZ-CG 3.71Å; F1973-F2062 HydrophobicContact CZ-CZ 4.45Å |
| 1974 | E | 90.3 | Very high | 87.5 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 18% | 0.178 | 29% | 0.287 | C | S | . | . | trans | -107.4 | 129.7 | 170.5 | -76.7 | -161.2 | -161.4 | 0 | 0 | 110.5 | L1976 Q2016 F2017 N2018 T2019 | E1974-L1976 VanDerWaalsContact C-N 3.28Å; E1974-L1976 PolarHBondContact O-N 3.26Å; E1974-Q2016 PolarHBondContact N-O 3.26Å; E1974-F2017 HydrophobicContact CB-CD1 3.81Å; E1974-F2017 HydrophobicContact CB-CE1 4.1Å; E1974-F2017 HydrophobicContact CG-CE1 4.34Å; E1974-F2017 CarbonylContact O-C 3.57Å; E1974-F2017 VanDerWaalsContact O-C 3.24Å; E1974-F2017 VanDerWaalsContact O-CA 3.32Å; E1974-F2017 WeakPolarHBondContact O-CA 3.47Å; E1974-F2017 WeakPolarHBondContact OE2-CE1 3.36Å; E1974-N2018 PolarHBondContact O-N 3.47Å; E1974-T2019 PolarHBondContact O-N 2.64Å; E1974-T2019 VanDerWaalsContact O-N 3.13Å | ||
| 1975 | I | 89.7 | Confident | 86.6 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 36% | 0.359 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -72.3 | -25.9 | 177.5 | -161.3 | 170.3 | 0 | 0 | 0 | 112.1 | I2020 V2040 W2042 M2052 | I1975-I2020 HydrophobicContact CD1-CD1 4.27Å; I1975-I2020 HydrophobicContact CD1-CG1 4.15Å; I1975-V2040 HydrophobicContact CG1-CG2 4.21Å; I1975-W2042 HydrophobicContact CG1-CZ2 4.29Å; I1975-W2042 HydrophobicContact CG2-CZ2 4.5Å; I1975-W2042 PolarHBondContact O-NE1 2.84Å; I1975-M2052 HydrophobicContact CD1-CE 4.4Å; I1975-M2052 HydrophobicContact CD1-SD 3.52Å; I1975-M2052 VanDerWaalsContact CD1-SD 3.52Å; I1975-M2052 HydrophobicContact CG1-SD 3.88Å |
| 1976 | L | 87.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 59.4 Ų | 59.4 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -80 | 158.2 | -179.7 | -66.2 | 178.1 | 0 | 0 | 0 | 111.1 | E1974 F2017 N2018 W2042 | E1974-L1976 VanDerWaalsContact C-N 3.28Å; E1974-L1976 PolarHBondContact O-N 3.26Å; L1976-F2017 WeakPolarHBondContact O-CB 3.5Å; L1976-F2017 WeakPolarHBondContact O-CD1 3.33Å; L1976-N2018 PolarHBondContact O-N 3.48Å; L1976-N2018 VanDerWaalsContact O-N 3.14Å; L1976-W2042 HydrophobicContact CD2-CH2 4.45Å; L1976-W2042 HydrophobicContact CD2-CZ2 3.94Å |
| 1977 | P | 86.8 | Confident | 85.1 | Confident | 53 Ų | 53 | 63.5 Ų | 63.5 | 34% | 0.344 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 156.7 | 171.3 | 28.3 | -33.9 | 0 | 0 | 0 | 111.4 | N2018 | P1977-N2018 VanDerWaalsContact CA-OD1 3.25Å; P1977-N2018 WeakPolarHBondContact CA-OD1 3.13Å; P1977-N2018 WeakPolarHBondContact CB-OD1 3.34Å |
| 1978 | P | 87.5 | Confident | 84.7 | Confident | 64 Ų | 64 | 64 Ų | 64 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 133 | 176.5 | 25.9 | -31.7 | 0 | 0 | 0 | 109.9 | W1997 F2017 | P1978-W1997 HydrophobicContact CB-CE3 4.43Å; P1978-W1997 HydrophobicContact CB-CZ3 4.08Å; P1978-F2017 HydrophobicContact CB-CB 4.43Å; P1978-F2017 HydrophobicContact CB-CD1 4.1Å; P1978-F2017 HydrophobicContact CB-CD2 3.8Å; P1978-F2017 HydrophobicContact CB-CE1 4.33Å; P1978-F2017 HydrophobicContact CB-CE2 4.09Å; P1978-F2017 HydrophobicContact CB-CG 3.82Å; P1978-F2017 HydrophobicContact CB-CZ 4.33Å; P1978-F2017 HydrophobicContact CG-CB 4.43Å; P1978-F2017 HydrophobicContact CG-CD2 4.49Å; P1978-F2017 HydrophobicContact CG-CG 4.34Å |
| 1979 | P | 85.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 59.2 Ų | 59.2 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 148.5 | 176 | 25.4 | -32.4 | 0 | 0 | 0 | 110.7 | W1997 | P1979-W1997 HydrophobicContact CG-CE3 4.18Š|
| 1980 | P | 85.6 | Confident | 84 | Confident | 63 Ų | 63 | 57.2 Ų | 57.2 | 41% | 0.409 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 154.9 | -178.7 | 27.6 | -35.8 | 0 | 0 | 0 | 112.1 | T1982 R1995 I1996 W1997 | P1980-T1982 VanDerWaalsContact C-N 3.31Å; P1980-T1982 WeakPolarHBondContact CB-O 3.37Å; P1980-T1982 WeakPolarHBondContact CG-O 3.47Å; P1980-T1982 PolarHBondContact O-N 2.84Å; P1980-R1995 WeakPolarHBondContact CD-O 3.23Å; P1980-I1996 CarbonylContact O-C 3.52Å; P1980-I1996 WeakPolarHBondContact O-CA 3.3Å; P1980-W1997 PolarHBondContact O-N 3.07Å |
| 1981 | T | 84.4 | Confident | 83.6 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 71% | 0.712 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -71.1 | -28.1 | 179.2 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | W1997 | T1981-W1997 HydrophobicContact CG2-CB 4.47Š|
| 1982 | T | 81.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 63% | 0.632 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -117 | 159.4 | 173.7 | 55.3 | 0 | 0 | 0 | 0 | 110.1 | P1980 D1984 | P1980-T1982 VanDerWaalsContact C-N 3.31Å; P1980-T1982 WeakPolarHBondContact CB-O 3.37Å; P1980-T1982 WeakPolarHBondContact CG-O 3.47Å; P1980-T1982 PolarHBondContact O-N 2.84Å; T1982-D1984 PolarHBondContact O-N 3.36Å |
| 1983 | R | 81.6 | Confident | 82.5 | Confident | 60 Ų | 60 | 61.1 Ų | 61.1 | 23% | 0.226 | 33% | 0.327 | C | S | . | . | trans | -69 | 119.2 | 178.5 | -177.4 | -178.5 | -172.8 | 132.6 | 23.2 | 109.4 | I1985 N1988 P1989 W1990 E1992 I1996 | R1983-I1985 PolarHBondContact O-N 3.15Å; R1983-N1988 VanDerWaalsContact CZ-O 3.28Å; R1983-N1988 PolarHBondContact NE-O 2.71Å; R1983-N1988 PolarHBondContact NH2-O 3.21Å; R1983-P1989 PolarHBondContact NH2-O 3.27Å; R1983-W1990 VanDerWaalsContact CZ-CA 3.42Å; R1983-W1990 VanDerWaalsContact NH2-CA 3.29Å; R1983-W1990 VanDerWaalsContact NH2-N 3.19Å; R1983-E1992 VanDerWaalsContact CZ-O 3.29Å; R1983-E1992 PolarHBondContact NH1-O 3.4Å; R1983-E1992 PolarHBondContact NH2-O 3.38Å; R1983-I1996 HydrophobicContact CB-CG2 4.07Å | ||
| 1984 | D | 76.7 | Confident | 82 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 34% | 0.337 | 33% | 0.332 | S | S | . | . | trans | -72.9 | 115.7 | 167.6 | -170.7 | -34 | 0 | 0 | 0 | 109 | T1982 N1986 E1987 N1988 | T1982-D1984 PolarHBondContact O-N 3.36Å; D1984-N1986 VanDerWaalsContact C-N 3.27Å; D1984-N1986 PolarHBondContact O-N 3.1Å; D1984-N1986 WeakPolarHBondContact OD1-CB 3.22Å; D1984-N1986 PolarHBondContact OD1-N 2.98Å; D1984-E1987 HydrophobicContact CB-CB 4.28Å; D1984-E1987 PolarHBondContact OD1-N 3.19Å; D1984-N1988 CarbonylContact O-C 3.17Å; D1984-N1988 WeakPolarHBondContact O-CA 3.32Å; D1984-N1988 PolarHBondContact O-N 2.95Å | ||
| 1985 | I | 68.6 | Low | 81.7 | Confident | 83 Ų | 83 | 68 Ų | 68 | 43% | 0.426 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23 | -175.4 | -153.2 | 162.2 | 0 | 0 | 0 | 112.7 | R1983 | R1983-I1985 PolarHBondContact O-N 3.15Š|
| 1986 | N | 70.4 | Confident | 81.6 | Confident | 101 Ų | 101 | 66.9 Ų | 66.9 | 54% | 0.54 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -40.5 | -178.6 | -60.7 | -32.8 | 0 | 0 | 0 | 110.7 | N878 D1984 | N878-N1986 PolarHBondContact ND2-O 3.4Å; N878-N1986 PolarHBondContact OD1-OD1 3.19Å; D1984-N1986 VanDerWaalsContact C-N 3.27Å; D1984-N1986 PolarHBondContact O-N 3.1Å; D1984-N1986 WeakPolarHBondContact OD1-CB 3.22Å; D1984-N1986 PolarHBondContact OD1-N 2.98Å |
| 1987 | E | 73.1 | Confident | 81.6 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -25.7 | -177.4 | -61.4 | -157.7 | 151 | 0 | 0 | 114.5 | D1984 K2044 | D1984-E1987 HydrophobicContact CB-CB 4.28Å; D1984-E1987 PolarHBondContact OD1-N 3.19Å; E1987-K2044 IonicContact OE1-NZ 2.66Å; E1987-K2044 PolarHBondContact OE1-NZ 2.99Å |
| 1988 | N | 81.2 | Confident | 81.4 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 6% | 0.059 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -139.4 | 71 | -179 | 177.8 | -132.3 | 0 | 0 | 0 | 110.6 | R1983 D1984 E1992 W1993 P1994 R1995 | R1983-N1988 VanDerWaalsContact CZ-O 3.28Å; R1983-N1988 PolarHBondContact NE-O 2.71Å; R1983-N1988 PolarHBondContact NH2-O 3.21Å; D1984-N1988 CarbonylContact O-C 3.17Å; D1984-N1988 WeakPolarHBondContact O-CA 3.32Å; D1984-N1988 PolarHBondContact O-N 2.95Å; N1988-E1992 PolarHBondContact ND2-OE2 3.22Å; N1988-W1993 PolarHBondContact ND2-O 3.07Å; N1988-W1993 PolarHBondContact OD1-O 3.44Å; N1988-W1993 VanDerWaalsContact OD1-O 3.13Å; N1988-P1994 VanDerWaalsContact OD1-CA 3.25Å; N1988-P1994 WeakPolarHBondContact OD1-CA 3.49Å; N1988-R1995 PolarHBondContact OD1-N 2.87Å |
| 1989 | P | 77.8 | Confident | 81.3 | Confident | 26 Ų | 26 | 70.3 Ų | 70.3 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | trans | -68.4 | 143.6 | -172.7 | 28.3 | -35.5 | 0 | 0 | 0 | 112.8 | R1983 E1992 | R1983-P1989 PolarHBondContact NH2-O 3.27Å; P1989-E1992 VanDerWaalsContact O-CB 3.28Å; P1989-E1992 WeakPolarHBondContact O-CB 3.49Å; P1989-E1992 WeakPolarHBondContact O-CG 3.25Å; P1989-E1992 PolarHBondContact O-N 2.93Å; P1989-E1992 VanDerWaalsContact O-N 3.09Å | ||
| 1990 | W | 84.6 | Confident | 81.3 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 139.9 | 170.6 | 178.1 | 93.3 | 0 | 0 | 0 | 109.7 | T1174 F1673 A1726 V1728 I1731 R1983 | T1174-W1990 HydrophobicContact CG2-CH2 3.8Å; T1174-W1990 HydrophobicContact CG2-CZ3 4.01Å; F1673-W1990 HydrophobicContact CB-CH2 4.3Å; F1673-W1990 HydrophobicContact CB-CZ2 3.98Å; F1673-W1990 AromaticContact CD1-CH2 3.38Å; F1673-W1990 HydrophobicContact CD1-CH2 3.38Å; F1673-W1990 AromaticContact CD1-CZ2 3.8Å; F1673-W1990 HydrophobicContact CD1-CZ2 3.8Å; F1673-W1990 AromaticContact CD1-CZ3 4Å; F1673-W1990 HydrophobicContact CD1-CZ3 4Å; F1673-W1990 AromaticContact CD2-CH2 3.54Å; F1673-W1990 HydrophobicContact CD2-CH2 3.54Å; F1673-W1990 AromaticContact CD2-CZ2 3.97Å; F1673-W1990 HydrophobicContact CD2-CZ2 3.97Å; F1673-W1990 AromaticContact CE1-CH2 3.39Å; F1673-W1990 HydrophobicContact CE1-CH2 3.39Å; F1673-W1990 HydrophobicContact CE1-CZ2 4.27Å; F1673-W1990 AromaticContact CE1-CZ3 3.65Å; F1673-W1990 HydrophobicContact CE1-CZ3 3.65Å; F1673-W1990 AromaticContact CE2-CH2 3.58Å; F1673-W1990 HydrophobicContact CE2-CH2 3.58Å; F1673-W1990 HydrophobicContact CE2-CZ2 4.46Å; F1673-W1990 HydrophobicContact CE2-CZ3 4.37Å; F1673-W1990 AromaticContact CG-CH2 3.45Å; F1673-W1990 HydrophobicContact CG-CH2 3.45Å; F1673-W1990 VanDerWaalsContact CG-CH2 3.45Å; F1673-W1990 AromaticContact CG-CZ2 3.64Å; F1673-W1990 HydrophobicContact CG-CZ2 3.64Å; F1673-W1990 HydrophobicContact CG-CZ3 4.48Å; F1673-W1990 AromaticContact CZ-CH2 3.5Å; F1673-W1990 HydrophobicContact CZ-CH2 3.5Å; F1673-W1990 AromaticContact CZ-CZ3 3.87Å; F1673-W1990 HydrophobicContact CZ-CZ3 3.87Å; A1726-W1990 WeakPolarHBondContact O-CZ2 3.41Å; V1728-W1990 HydrophobicContact CG2-CH2 4.29Å; V1728-W1990 HydrophobicContact CG2-CZ2 4.04Å; I1731-W1990 HydrophobicContact CD1-CD2 3.86Å; I1731-W1990 HydrophobicContact CD1-CE3 3.99Å; I1731-W1990 HydrophobicContact CD1-CH2 3.89Å; I1731-W1990 HydrophobicContact CD1-CZ2 3.8Å; I1731-W1990 HydrophobicContact CD1-CZ3 4Å; I1731-W1990 HydrophobicContact CG1-CD2 3.67Å; I1731-W1990 HydrophobicContact CG1-CE3 4.27Å; I1731-W1990 HydrophobicContact CG1-CG 3.87Å; I1731-W1990 HydrophobicContact CG1-CZ2 4.1Å; R1983-W1990 VanDerWaalsContact CZ-CA 3.42Å; R1983-W1990 VanDerWaalsContact NH2-CA 3.29Å; R1983-W1990 VanDerWaalsContact NH2-N 3.19Å |
| 1991 | P | 84.7 | Confident | 81.5 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.045 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -95.8 | 17.6 | 15.3 | 40 | -40.6 | 0 | 0 | 0 | 115.7 | A870 F1673 V1678 A1726 | A870-P1991 HydrophobicContact CB-CG 3.98Å; F1673-P1991 HydrophobicContact CD1-CB 3.91Å; F1673-P1991 HydrophobicContact CD1-CG 3.92Å; F1673-P1991 HydrophobicContact CE1-CG 4.36Å; V1678-P1991 HydrophobicContact CB-CG 4.48Å; V1678-P1991 HydrophobicContact CG2-CB 4.28Å; V1678-P1991 HydrophobicContact CG2-CG 3.64Å; A1726-P1991 HydrophobicContact CB-CB 4.12Å |
| 1992 | E | 81.2 | Confident | 81.7 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -60.4 | 163 | -179.3 | -63.1 | -179 | 175 | 0 | 0 | 112.3 | R1983 N1988 P1989 P1994 | R1983-E1992 VanDerWaalsContact CZ-O 3.29Å; R1983-E1992 PolarHBondContact NH1-O 3.4Å; R1983-E1992 PolarHBondContact NH2-O 3.38Å; N1988-E1992 PolarHBondContact ND2-OE2 3.22Å; P1989-E1992 VanDerWaalsContact O-CB 3.28Å; P1989-E1992 WeakPolarHBondContact O-CB 3.49Å; P1989-E1992 WeakPolarHBondContact O-CG 3.25Å; P1989-E1992 PolarHBondContact O-N 2.93Å; P1989-E1992 VanDerWaalsContact O-N 3.09Å; E1992-P1994 WeakPolarHBondContact O-CD 3.13Å |
| 1993 | W | 81.1 | Confident | 82.1 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 125.8 | 173.9 | -176.6 | -114.4 | 0 | 0 | 0 | 110.4 | P1720 A1721 P1722 N1988 R1995 | P1720-W1993 HydrophobicContact CB-CH2 4.1Å; P1720-W1993 HydrophobicContact CB-CZ2 3.95Å; P1720-W1993 WeakPolarHBondContact O-CH2 3.37Å; A1721-W1993 WeakPolarHBondContact O-CZ3 3.42Å; P1722-W1993 HydrophobicContact CB-CE3 4.1Å; P1722-W1993 HydrophobicContact CB-CZ3 4.43Å; N1988-W1993 PolarHBondContact ND2-O 3.07Å; N1988-W1993 PolarHBondContact OD1-O 3.44Å; N1988-W1993 VanDerWaalsContact OD1-O 3.13Å; W1993-R1995 PolarHBondContact O-N 3.47Å |
| 1994 | P | 82.4 | Confident | 82.4 | Confident | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 119.4 | -177.4 | 7.2 | -6.1 | 0 | 0 | 0 | 110.5 | N1988 E1992 I1996 R1998 | N1988-P1994 VanDerWaalsContact OD1-CA 3.25Å; N1988-P1994 WeakPolarHBondContact OD1-CA 3.49Å; E1992-P1994 WeakPolarHBondContact O-CD 3.13Å; P1994-I1996 VanDerWaalsContact C-N 3.32Å; P1994-I1996 HydrophobicContact CB-CD1 4.44Å; P1994-I1996 HydrophobicContact CB-CG1 4.34Å; P1994-I1996 HydrophobicContact CB-CG2 4.24Å; P1994-I1996 PolarHBondContact O-N 3Å; P1994-R1998 PolarHBondContact O-NH1 2.88Å; P1994-R1998 PolarHBondContact O-NH2 2.89Å |
| 1995 | R | 84.9 | Confident | 83 | Confident | 167 Ų | 167 | 52.8 Ų | 52.8 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | trans | -87.3 | 72.8 | 172 | -64.6 | -174.4 | 83.5 | -171.6 | 4.5 | 109.3 | P1980 N1988 W1993 | P1980-R1995 WeakPolarHBondContact CD-O 3.23Å; N1988-R1995 PolarHBondContact OD1-N 2.87Å; W1993-R1995 PolarHBondContact O-N 3.47Å | ||
| 1996 | I | 87.1 | Confident | 84 | Confident | 48 Ų | 48 | 48.9 Ų | 48.9 | 25% | 0.246 | 23% | 0.228 | C | C | . | . | trans | -117 | 159.3 | -179.8 | 62.8 | 176.2 | 0 | 0 | 0 | 111.1 | P1980 R1983 P1994 R1998 | P1980-I1996 CarbonylContact O-C 3.52Å; P1980-I1996 WeakPolarHBondContact O-CA 3.3Å; R1983-I1996 HydrophobicContact CB-CG2 4.07Å; P1994-I1996 VanDerWaalsContact C-N 3.32Å; P1994-I1996 HydrophobicContact CB-CD1 4.44Å; P1994-I1996 HydrophobicContact CB-CG1 4.34Å; P1994-I1996 HydrophobicContact CB-CG2 4.24Å; P1994-I1996 PolarHBondContact O-N 3Å; I1996-R1998 HydrophobicContact CG1-CG 4.21Å; I1996-R1998 PolarHBondContact O-N 3.47Å | ||
| 1997 | W | 86.8 | Confident | 84.6 | Confident | 84 Ų | 84 | 45.5 Ų | 45.5 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | trans | -55.5 | 125.4 | 170.3 | -175.5 | -98 | 0 | 0 | 0 | 111.2 | P1978 P1979 P1980 T1981 D2013 F2017 | P1978-W1997 HydrophobicContact CB-CE3 4.43Å; P1978-W1997 HydrophobicContact CB-CZ3 4.08Å; P1979-W1997 HydrophobicContact CG-CE3 4.18Å; P1980-W1997 PolarHBondContact O-N 3.07Å; T1981-W1997 HydrophobicContact CG2-CB 4.47Å; W1997-D2013 VanDerWaalsContact CZ2-OD2 3.26Å; W1997-D2013 WeakPolarHBondContact CZ2-OD2 3.26Å; W1997-F2017 HydrophobicContact CE3-CZ 4.38Å; W1997-F2017 AromaticContact CH2-CE2 3.59Å; W1997-F2017 HydrophobicContact CH2-CE2 3.59Å; W1997-F2017 AromaticContact CH2-CZ 3.92Å; W1997-F2017 HydrophobicContact CH2-CZ 3.92Å; W1997-F2017 HydrophobicContact CZ3-CD2 4.36Å; W1997-F2017 HydrophobicContact CZ3-CE1 4.46Å; W1997-F2017 AromaticContact CZ3-CE2 3.33Å; W1997-F2017 HydrophobicContact CZ3-CE2 3.33Å; W1997-F2017 AromaticContact CZ3-CZ 3.38Å; W1997-F2017 HydrophobicContact CZ3-CZ 3.38Å | ||
| 1998 | R | 83.6 | Confident | 84.9 | Confident | 93 Ų | 93 | 44.6 Ų | 44.6 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | trans | -133.1 | 140.4 | 175.5 | -65.2 | -174.5 | -174.5 | 123.9 | 4.4 | 110.7 | P1994 I1996 R2015 | P1994-R1998 PolarHBondContact O-NH1 2.88Å; P1994-R1998 PolarHBondContact O-NH2 2.89Å; I1996-R1998 HydrophobicContact CG1-CG 4.21Å; I1996-R1998 PolarHBondContact O-N 3.47Å; R1998-R2015 PolarHBondContact O-NH1 2.82Å; R1998-R2015 PolarHBondContact O-NH2 2.93Å | ||
| 1999 | V | 85.1 | Confident | 84.8 | Confident | 85 Ų | 85 | 49.7 Ų | 49.7 | 52% | 0.515 | 23% | 0.234 | S | C | . | . | trans | -102.7 | 124.1 | 165.4 | -178.9 | 0 | 0 | 0 | 0 | 106 | H2003 | V1999-H2003 HydrophobicContact CG1-CB 3.81Š| ||
| 2000 | D | 86.2 | Confident | 84.7 | Confident | 36 Ų | 36 | 51 Ų | 51 | 19% | 0.193 | 24% | 0.239 | C | C | . | . | trans | -108.1 | 176.2 | 179.8 | -152.9 | -15 | 0 | 0 | 0 | 109.5 | Y1636 V1956 G2002 H2003 S2004 | Y1636-D2000 PolarHBondContact OH-OD1 2.79Å; V1956-D2000 HydrophobicContact CG1-CB 4.03Å; V1956-D2000 HydrophobicContact CG2-CB 4.4Å; D2000-G2002 VanDerWaalsContact C-N 3.31Å; D2000-G2002 PolarHBondContact O-N 3.26Å; D2000-H2003 PolarHBondContact N-ND1 3.01Å; D2000-H2003 WeakPolarHBondContact O-CB 3.28Å; D2000-H2003 PolarHBondContact O-N 3.46Å; D2000-H2003 VanDerWaalsContact O-N 3.09Å; D2000-S2004 PolarHBondContact O-N 3.09Å; D2000-S2004 PolarHBondContact O-OG 3.24Å | ||
| 2001 | Y | 88.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.8 | -45 | -173.7 | 77.9 | -83.5 | 0 | 0 | 0 | 111.9 | R1642 V1649 M1813 K1814 V1956 D1957 A1960 S2004 E2005 | R1642-Y2001 PolarHBondContact NH1-O 2.93Å; R1642-Y2001 VanDerWaalsContact NH1-O 3.11Å; V1649-Y2001 HydrophobicContact CG1-CD2 3.75Å; V1649-Y2001 HydrophobicContact CG1-CE2 4.26Å; V1649-Y2001 HydrophobicContact CG1-CG 4.24Å; V1649-Y2001 HydrophobicContact CG2-CG 4.5Å; M1813-Y2001 HydrophobicContact CE-CE2 4.17Å; M1813-Y2001 HydrophobicContact CG-CE2 4.34Å; K1814-Y2001 HydrophobicContact CD-CE1 4.37Å; V1956-Y2001 HydrophobicContact CG1-CD1 4.03Å; V1956-Y2001 HydrophobicContact CG1-CE1 3.68Å; D1957-Y2001 PolarHBondContact OD1-OH 2.96Å; A1960-Y2001 HydrophobicContact CB-CD2 3.99Å; A1960-Y2001 HydrophobicContact CB-CE2 3.27Å; Y2001-S2004 PolarHBondContact O-N 3.23Å; Y2001-S2004 PolarHBondContact O-OG 3.41Å; Y2001-E2005 WeakPolarHBondContact O-CB 3.31Å; Y2001-E2005 WeakPolarHBondContact O-CG 3.37Å; Y2001-E2005 PolarHBondContact O-N 3.24Å |
| 2002 | G | 88.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1959 D2000 S2004 E2005 V2006 | I1959-G2002 WeakPolarHBondContact CG2-O 3.29Å; D2000-G2002 VanDerWaalsContact C-N 3.31Å; D2000-G2002 PolarHBondContact O-N 3.26Å; G2002-S2004 PolarHBondContact O-N 3.18Å; G2002-E2005 PolarHBondContact O-N 3.05Å; G2002-V2006 WeakPolarHBondContact O-CG1 3.3Å; G2002-V2006 PolarHBondContact O-N 3.13Å; G2002-V2006 VanDerWaalsContact O-N 3.08Å |
| 2003 | H | 90 | Very high | 84.4 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 173.8 | -60.5 | 137.2 | 0 | 0 | 0 | 111.2 | V1956 V1999 D2000 V2006 A2007 R2015 | V1956-H2003 WeakPolarHBondContact CG2-CE1 3.32Å; V1999-H2003 HydrophobicContact CG1-CB 3.81Å; D2000-H2003 PolarHBondContact N-ND1 3.01Å; D2000-H2003 WeakPolarHBondContact O-CB 3.28Å; D2000-H2003 PolarHBondContact O-N 3.46Å; D2000-H2003 VanDerWaalsContact O-N 3.09Å; H2003-V2006 WeakPolarHBondContact O-CG1 3.46Å; H2003-A2007 WeakPolarHBondContact O-CB 3.11Å; H2003-A2007 PolarHBondContact O-N 2.85Å; H2003-R2015 PolarHBondContact CE1-NH1 3.38Å |
| 2004 | S | 87.4 | Confident | 84.7 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 178.1 | 67.4 | 0 | 0 | 0 | 0 | 113 | R1642 D2000 Y2001 G2002 V2008 | R1642-S2004 PolarHBondContact NH2-OG 3.38Å; D2000-S2004 PolarHBondContact O-N 3.09Å; D2000-S2004 PolarHBondContact O-OG 3.24Å; Y2001-S2004 PolarHBondContact O-N 3.23Å; Y2001-S2004 PolarHBondContact O-OG 3.41Å; G2002-S2004 PolarHBondContact O-N 3.18Å; S2004-V2008 WeakPolarHBondContact O-CG2 3.48Å; S2004-V2008 PolarHBondContact O-N 2.94Å |
| 2005 | E | 90 | Very high | 85.2 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.2 | -45.3 | 179.6 | -77.2 | 163.9 | -176.1 | 0 | 0 | 112.1 | V1639 R1642 V1643 A1960 V1963 R1964 Y2001 G2002 | V1639-E2005 HydrophobicContact CG1-CG 4.25Å; R1642-E2005 IonicContact CZ-OE1 2.76Å; R1642-E2005 VanDerWaalsContact NH1-CD 3.27Å; R1642-E2005 IonicContact NH1-OE1 3.53Å; R1642-E2005 PolarHBondContact NH1-OE1 2.82Å; V1643-E2005 HydrophobicContact CG1-CB 3.99Å; V1643-E2005 HydrophobicContact CG1-CG 3.88Å; A1960-E2005 WeakPolarHBondContact CB-OE2 3.2Å; V1963-E2005 HydrophobicContact CG1-CB 4.41Å; R1964-E2005 IonicContact CZ-OE1 3.77Å; R1964-E2005 IonicContact CZ-OE2 3.42Å; R1964-E2005 VanDerWaalsContact NH1-CD 3.34Å; R1964-E2005 IonicContact NH1-OE1 3.22Å; R1964-E2005 PolarHBondContact NH1-OE1 2.68Å; R1964-E2005 IonicContact NH1-OE2 2.73Å; R1964-E2005 PolarHBondContact NH1-OE2 2.74Å; R1964-E2005 IonicContact NH2-OE1 3.99Å; R1964-E2005 PolarHBondContact NH2-OE1 3.4Å; R1964-E2005 IonicContact NH2-OE2 3.66Å; Y2001-E2005 WeakPolarHBondContact O-CB 3.31Å; Y2001-E2005 WeakPolarHBondContact O-CG 3.37Å; Y2001-E2005 PolarHBondContact O-N 3.24Å; G2002-E2005 PolarHBondContact O-N 3.05Å |
| 2006 | V | 88.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72 | -36.3 | 177.6 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | I1959 V1963 I1970 G2002 H2003 V2008 R2009 I2010 P2014 | I1959-V2006 HydrophobicContact CG2-CB 3.74Å; I1959-V2006 HydrophobicContact CG2-CG1 3.65Å; I1959-V2006 HydrophobicContact CG2-CG2 4.42Å; V1963-V2006 HydrophobicContact CG2-CB 3.7Å; V1963-V2006 HydrophobicContact CG2-CG2 4.02Å; I1970-V2006 HydrophobicContact CB-CG2 4Å; I1970-V2006 HydrophobicContact CD1-CG2 3.97Å; I1970-V2006 HydrophobicContact CG1-CG2 4.35Å; G2002-V2006 WeakPolarHBondContact O-CG1 3.3Å; G2002-V2006 PolarHBondContact O-N 3.13Å; G2002-V2006 VanDerWaalsContact O-N 3.08Å; H2003-V2006 WeakPolarHBondContact O-CG1 3.46Å; V2006-V2008 VanDerWaalsContact C-N 3.27Å; V2006-V2008 PolarHBondContact O-N 2.78Å; V2006-R2009 CarbonylContact O-C 3.55Å; V2006-R2009 WeakPolarHBondContact O-CA 3.28Å; V2006-R2009 WeakPolarHBondContact O-CB 3.36Å; V2006-R2009 PolarHBondContact O-N 3.43Å; V2006-I2010 HydrophobicContact CG2-CD1 3.93Å; V2006-I2010 HydrophobicContact CG2-CG1 4.17Å; V2006-I2010 HydrophobicContact CG2-CG2 4.08Å; V2006-I2010 WeakPolarHBondContact O-CG1 3.34Å; V2006-I2010 PolarHBondContact O-N 3.05Å; V2006-P2014 HydrophobicContact CG1-CB 3.84Å; V2006-P2014 HydrophobicContact CG1-CG 3.46Å; V2006-P2014 VanDerWaalsContact CG1-CG 3.46Å |
| 2007 | A | 84.3 | Confident | 85.7 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 26% | 0.256 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | H2003 R2009 N2011 G2012 | H2003-A2007 WeakPolarHBondContact O-CB 3.11Å; H2003-A2007 PolarHBondContact O-N 2.85Å; A2007-R2009 VanDerWaalsContact C-N 3.28Å; A2007-R2009 PolarHBondContact O-N 2.79Å; A2007-N2011 VanDerWaalsContact O-CA 3.22Å; A2007-N2011 WeakPolarHBondContact O-CA 3.44Å; A2007-N2011 PolarHBondContact O-N 2.83Å; A2007-G2012 WeakPolarHBondContact CA-O 3.32Å; A2007-G2012 WeakPolarHBondContact CB-O 3.41Å; A2007-G2012 PolarHBondContact O-N 2.86Å |
| 2008 | V | 79.7 | Confident | 85.9 | Confident | 91 Ų | 91 | 46.7 Ų | 46.7 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -67.6 | -30 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 111.8 | V1639 S2004 V2006 | V1639-V2008 HydrophobicContact CB-CG2 4.22Å; V1639-V2008 HydrophobicContact CG1-CB 4Å; V1639-V2008 HydrophobicContact CG1-CG1 4.37Å; V1639-V2008 HydrophobicContact CG1-CG2 3.83Å; V1639-V2008 HydrophobicContact CG2-CG2 4.17Å; S2004-V2008 WeakPolarHBondContact O-CG2 3.48Å; S2004-V2008 PolarHBondContact O-N 2.94Å; V2006-V2008 VanDerWaalsContact C-N 3.27Å; V2006-V2008 PolarHBondContact O-N 2.78Å |
| 2009 | R | 77.9 | Confident | 86.4 | Confident | 118 Ų | 118 | 42.5 Ų | 42.5 | 45% | 0.445 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -82.4 | -40.6 | -179.2 | -170.4 | 175.4 | -178.6 | 151.9 | 1.6 | 113.5 | V1963 G1966 A1967 V2006 A2007 | V1963-R2009 PolarHBondContact O-NH1 2.86Å; G1966-R2009 PolarHBondContact O-NH2 2.86Å; A1967-R2009 PolarHBondContact O-NE 3.42Å; A1967-R2009 PolarHBondContact O-NH2 2.82Å; V2006-R2009 CarbonylContact O-C 3.55Å; V2006-R2009 WeakPolarHBondContact O-CA 3.28Å; V2006-R2009 WeakPolarHBondContact O-CB 3.36Å; V2006-R2009 PolarHBondContact O-N 3.43Å; A2007-R2009 VanDerWaalsContact C-N 3.28Å; A2007-R2009 PolarHBondContact O-N 2.79Å |
| 2010 | I | 76.6 | Confident | 86.7 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -103.6 | 0.5 | -175.9 | 70.8 | 175.6 | 0 | 0 | 0 | 113.9 | V2006 G2012 P2014 | V2006-I2010 HydrophobicContact CG2-CD1 3.93Å; V2006-I2010 HydrophobicContact CG2-CG1 4.17Å; V2006-I2010 HydrophobicContact CG2-CG2 4.08Å; V2006-I2010 WeakPolarHBondContact O-CG1 3.34Å; V2006-I2010 PolarHBondContact O-N 3.05Å; I2010-G2012 PolarHBondContact O-N 2.91Å; I2010-P2014 HydrophobicContact CD1-CB 4.02Å |
| 2011 | N | 77.2 | Confident | 87.1 | Confident | 159 Ų | 159 | 39.3 Ų | 39.3 | 85% | 0.85 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 47.6 | -176.8 | -163.7 | 37.6 | 0 | 0 | 0 | 113.9 | A2007 | A2007-N2011 VanDerWaalsContact O-CA 3.22Å; A2007-N2011 WeakPolarHBondContact O-CA 3.44Å; A2007-N2011 PolarHBondContact O-N 2.83Å |
| 2012 | G | 80.8 | Confident | 87.2 | Confident | 34 Ų | 34 | 42.7 Ų | 42.7 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 174 | 169.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | A2007 I2010 | A2007-G2012 WeakPolarHBondContact CA-O 3.32Å; A2007-G2012 WeakPolarHBondContact CB-O 3.41Å; A2007-G2012 PolarHBondContact O-N 2.86Å; I2010-G2012 PolarHBondContact O-N 2.91Å |
| 2013 | D | 85.1 | Confident | 87.5 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 35% | 0.353 | 24% | 0.241 | S | C | . | . | trans | -74.6 | 131 | 173 | -163 | -62 | 0 | 0 | 0 | 109.9 | W1997 R2015 | W1997-D2013 VanDerWaalsContact CZ2-OD2 3.26Å; W1997-D2013 WeakPolarHBondContact CZ2-OD2 3.26Å; D2013-R2015 PolarHBondContact O-N 3.43Å; D2013-R2015 VanDerWaalsContact OD1-CB 3.25Å; D2013-R2015 WeakPolarHBondContact OD1-CB 3.4Å; D2013-R2015 WeakPolarHBondContact OD1-CG 3.39Å; D2013-R2015 IonicContact OD1-CZ 2.66Å; D2013-R2015 PolarHBondContact OD1-N 3.02Å; D2013-R2015 IonicContact OD1-NE 3.64Å; D2013-R2015 PolarHBondContact OD1-NE 3.06Å; D2013-R2015 IonicContact OD1-NH2 3.76Å; D2013-R2015 IonicContact OD2-CZ 3.48Å; D2013-R2015 IonicContact OD2-NE 3.75Å; D2013-R2015 PolarHBondContact OD2-NE 2.89Å; D2013-R2015 IonicContact OD2-NH2 2.76Å; D2013-R2015 PolarHBondContact OD2-NH2 3.43Å | ||
| 2014 | P | 88.6 | Confident | 87.7 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 5% | 0.045 | 24% | 0.238 | C | C | . | . | trans | -74.7 | -11.3 | -177.3 | 35.9 | -43.7 | 0 | 0 | 0 | 113.5 | I1959 V1972 V2006 I2010 | I1959-P2014 HydrophobicContact CD1-CG 4.36Å; V1972-P2014 HydrophobicContact CG2-CB 4.24Å; V1972-P2014 HydrophobicContact CG2-CG 4.39Å; V1972-P2014 PolarHBondContact N-O 3.29Å; V2006-P2014 HydrophobicContact CG1-CB 3.84Å; V2006-P2014 HydrophobicContact CG1-CG 3.46Å; V2006-P2014 VanDerWaalsContact CG1-CG 3.46Å; I2010-P2014 HydrophobicContact CD1-CB 4.02Å | ||
| 2015 | R | 91.7 | Very high | 87.9 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.7 | -170.4 | -63.9 | 169.6 | -71.7 | -172.3 | -3.6 | 112.4 | V1972 R1998 H2003 D2013 F2017 | V1972-R2015 HydrophobicContact CB-CG 4.1Å; V1972-R2015 HydrophobicContact CG1-CG 4.36Å; V1972-R2015 CarbonylContact O-C 3.44Å; V1972-R2015 WeakPolarHBondContact O-CA 3.46Å; R1998-R2015 PolarHBondContact O-NH1 2.82Å; R1998-R2015 PolarHBondContact O-NH2 2.93Å; H2003-R2015 PolarHBondContact CE1-NH1 3.38Å; D2013-R2015 PolarHBondContact O-N 3.43Å; D2013-R2015 VanDerWaalsContact OD1-CB 3.25Å; D2013-R2015 WeakPolarHBondContact OD1-CB 3.4Å; D2013-R2015 WeakPolarHBondContact OD1-CG 3.39Å; D2013-R2015 IonicContact OD1-CZ 2.66Å; D2013-R2015 PolarHBondContact OD1-N 3.02Å; D2013-R2015 IonicContact OD1-NE 3.64Å; D2013-R2015 PolarHBondContact OD1-NE 3.06Å; D2013-R2015 IonicContact OD1-NH2 3.76Å; D2013-R2015 IonicContact OD2-CZ 3.48Å; D2013-R2015 IonicContact OD2-NE 3.75Å; D2013-R2015 PolarHBondContact OD2-NE 2.89Å; D2013-R2015 IonicContact OD2-NH2 2.76Å; D2013-R2015 PolarHBondContact OD2-NH2 3.43Å; R2015-F2017 HydrophobicContact CB-CD2 4.46Å; R2015-F2017 HydrophobicContact CB-CE2 3.65Å; R2015-F2017 HydrophobicContact CB-CZ 3.92Å |
| 2016 | Q | 91.2 | Very high | 87.9 | Confident | 52 Ų | 52 | 49.5 Ų | 49.5 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 115.1 | 172.7 | 174.9 | 168.7 | -0.2 | 0 | 0 | 109 | V1972 F1973 E1974 | V1972-Q2016 PolarHBondContact O-N 2.87Å; F1973-Q2016 WeakPolarHBondContact CA-O 3.4Å; F1973-Q2016 HydrophobicContact CD1-CB 3.89Å; F1973-Q2016 HydrophobicContact CD1-CG 4.19Å; F1973-Q2016 HydrophobicContact CE1-CB 4.1Å; F1973-Q2016 HydrophobicContact CE1-CG 4.28Å; E1974-Q2016 PolarHBondContact N-O 3.26Å |
| 2017 | F | 91.2 | Very high | 87.9 | Confident | 29 Ų | 29 | 53 Ų | 53 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | trans | -89.7 | 174 | -173.6 | -65.7 | -88.3 | 0 | 0 | 0 | 111.7 | E1974 L1976 P1978 W1997 R2015 T2019 | E1974-F2017 HydrophobicContact CB-CD1 3.81Å; E1974-F2017 HydrophobicContact CB-CE1 4.1Å; E1974-F2017 HydrophobicContact CG-CE1 4.34Å; E1974-F2017 CarbonylContact O-C 3.57Å; E1974-F2017 VanDerWaalsContact O-C 3.24Å; E1974-F2017 VanDerWaalsContact O-CA 3.32Å; E1974-F2017 WeakPolarHBondContact O-CA 3.47Å; E1974-F2017 WeakPolarHBondContact OE2-CE1 3.36Å; L1976-F2017 WeakPolarHBondContact O-CB 3.5Å; L1976-F2017 WeakPolarHBondContact O-CD1 3.33Å; P1978-F2017 HydrophobicContact CB-CB 4.43Å; P1978-F2017 HydrophobicContact CB-CD1 4.1Å; P1978-F2017 HydrophobicContact CB-CD2 3.8Å; P1978-F2017 HydrophobicContact CB-CE1 4.33Å; P1978-F2017 HydrophobicContact CB-CE2 4.09Å; P1978-F2017 HydrophobicContact CB-CG 3.82Å; P1978-F2017 HydrophobicContact CB-CZ 4.33Å; P1978-F2017 HydrophobicContact CG-CB 4.43Å; P1978-F2017 HydrophobicContact CG-CD2 4.49Å; P1978-F2017 HydrophobicContact CG-CG 4.34Å; W1997-F2017 HydrophobicContact CE3-CZ 4.38Å; W1997-F2017 AromaticContact CH2-CE2 3.59Å; W1997-F2017 HydrophobicContact CH2-CE2 3.59Å; W1997-F2017 AromaticContact CH2-CZ 3.92Å; W1997-F2017 HydrophobicContact CH2-CZ 3.92Å; W1997-F2017 HydrophobicContact CZ3-CD2 4.36Å; W1997-F2017 HydrophobicContact CZ3-CE1 4.46Å; W1997-F2017 AromaticContact CZ3-CE2 3.33Å; W1997-F2017 HydrophobicContact CZ3-CE2 3.33Å; W1997-F2017 AromaticContact CZ3-CZ 3.38Å; W1997-F2017 HydrophobicContact CZ3-CZ 3.38Å; R2015-F2017 HydrophobicContact CB-CD2 4.46Å; R2015-F2017 HydrophobicContact CB-CE2 3.65Å; R2015-F2017 HydrophobicContact CB-CZ 3.92Å; F2017-T2019 PolarHBondContact O-N 2.69Å; F2017-T2019 VanDerWaalsContact O-N 3.13Å; F2017-T2019 PolarHBondContact O-OG1 2.9Å | ||
| 2018 | N | 92.5 | Very high | 87.8 | Confident | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 53.1 | 35.1 | 176.5 | -69.6 | -38.6 | 0 | 0 | 0 | 112.5 | E1974 L1976 P1977 K2039 V2040 | E1974-N2018 PolarHBondContact O-N 3.47Å; L1976-N2018 PolarHBondContact O-N 3.48Å; L1976-N2018 VanDerWaalsContact O-N 3.14Å; P1977-N2018 VanDerWaalsContact CA-OD1 3.25Å; P1977-N2018 WeakPolarHBondContact CA-OD1 3.13Å; P1977-N2018 WeakPolarHBondContact CB-OD1 3.34Å; N2018-K2039 CarbonylContact O-C 3.46Å; N2018-K2039 VanDerWaalsContact O-CA 3.23Å; N2018-K2039 WeakPolarHBondContact O-CA 3.22Å; N2018-V2040 VanDerWaalsContact CB-O 3.3Å; N2018-V2040 WeakPolarHBondContact CB-O 3.21Å; N2018-V2040 PolarHBondContact O-N 3.27Å |
| 2019 | T | 92.8 | Very high | 87.9 | Confident | 5 Ų | 5 | 59.2 Ų | 59.2 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.6 | -172.1 | -60.3 | 0 | 0 | 0 | 0 | 109.7 | F1973 E1974 F2017 T2037 A2038 | F1973-T2019 HydrophobicContact CB-CG2 4.23Å; F1973-T2019 HydrophobicContact CD1-CG2 3.99Å; F1973-T2019 HydrophobicContact CG-CG2 4.01Å; E1974-T2019 PolarHBondContact O-N 2.64Å; E1974-T2019 VanDerWaalsContact O-N 3.13Å; F2017-T2019 PolarHBondContact O-N 2.69Å; F2017-T2019 VanDerWaalsContact O-N 3.13Å; F2017-T2019 PolarHBondContact O-OG1 2.9Å; T2019-T2037 HydrophobicContact CG2-CG2 3.86Å; T2019-A2038 WeakPolarHBondContact CA-O 3.4Å |
| 2020 | I | 92.6 | Very high | 88.3 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143.3 | 173.2 | -164.3 | 170.5 | 0 | 0 | 0 | 109.8 | I1975 T2037 A2038 V2040 M2052 | I1975-I2020 HydrophobicContact CD1-CD1 4.27Å; I1975-I2020 HydrophobicContact CD1-CG1 4.15Å; I2020-T2037 CarbonylContact O-C 3.59Å; I2020-T2037 WeakPolarHBondContact O-CA 3.36Å; I2020-T2037 VanDerWaalsContact O-CB 3.25Å; I2020-T2037 WeakPolarHBondContact O-CB 3.33Å; I2020-A2038 HydrophobicContact CG2-CB 3.91Å; I2020-A2038 PolarHBondContact N-O 2.94Å; I2020-A2038 PolarHBondContact O-N 3.28Å; I2020-V2040 HydrophobicContact CB-CG1 3.71Å; I2020-V2040 HydrophobicContact CD1-CG1 4.4Å; I2020-V2040 HydrophobicContact CG2-CG1 3.52Å; I2020-M2052 HydrophobicContact CD1-CE 3.65Å; I2020-M2052 HydrophobicContact CD1-SD 4.26Å |
| 2021 | T | 93.2 | Very high | 88.8 | Confident | 16 Ų | 16 | 54.2 Ų | 54.2 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 132.7 | 175.9 | -52.9 | 0 | 0 | 0 | 0 | 110.8 | L1890 I1892 L1949 F2024 I2035 | L1890-T2021 HydrophobicContact CD2-CG2 4.32Å; I1892-T2021 HydrophobicContact CD1-CG2 3.36Å; L1949-T2021 HydrophobicContact CD1-CG2 4.35Å; T2021-F2024 HydrophobicContact CG2-CE1 4.32Å; T2021-F2024 HydrophobicContact CG2-CZ 4.44Å; T2021-I2035 HydrophobicContact CG2-CD1 3.46Å; T2021-I2035 VanDerWaalsContact CG2-CD1 3.46Å; T2021-I2035 HydrophobicContact CG2-CG1 3.48Å; T2021-I2035 VanDerWaalsContact CG2-CG1 3.48Å |
| 2022 | K | 91.5 | Very high | 89.4 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 31% | 0.313 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -42.7 | -178.4 | -60.6 | -77.1 | -72.6 | -144.2 | 0 | 112.4 | R2036 A2038 E2054 | K2022-R2036 PolarHBondContact N-O 2.86Å; K2022-A2038 HydrophobicContact CD-CB 4.35Å; K2022-A2038 HydrophobicContact CG-CB 4.16Å; K2022-E2054 IonicContact NZ-OE1 2.98Å; K2022-E2054 PolarHBondContact NZ-OE1 2.85Å; K2022-E2054 IonicContact NZ-OE2 3.1Å; K2022-E2054 PolarHBondContact NZ-OE2 3.43Å |
| 2023 | E | 94.5 | Very high | 89.9 | Confident | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 144.3 | -173.4 | 174.6 | 172.8 | -149 | 0 | 0 | 111.4 | P1893 L2025 R2036 | P1893-E2023 HydrophobicContact CB-CG 4.11Å; E2023-L2025 HydrophobicContact CG-CD2 3.93Å; E2023-R2036 HydrophobicContact CB-CB 4.29Å; E2023-R2036 PolarHBondContact N-O 2.8Å; E2023-R2036 PolarHBondContact O-N 3.34Å; E2023-R2036 IonicContact OE2-CZ 3.49Å; E2023-R2036 IonicContact OE2-NH1 3.32Å; E2023-R2036 PolarHBondContact OE2-NH1 3.4Å; E2023-R2036 IonicContact OE2-NH2 2.75Å; E2023-R2036 PolarHBondContact OE2-NH2 3.41Å |
| 2024 | F | 93.7 | Very high | 90.3 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 129 | 165.9 | -59.9 | -71.3 | 0 | 0 | 0 | 109.8 | L1890 I1892 P1893 R1895 L1897 I1900 L1949 T2021 V2032 I2035 V2067 L2069 | L1890-F2024 HydrophobicContact CD2-CZ 4.24Å; I1892-F2024 HydrophobicContact CD1-CD2 3.89Å; I1892-F2024 HydrophobicContact CD1-CE2 3.59Å; I1892-F2024 HydrophobicContact CD1-CZ 4.06Å; I1892-F2024 HydrophobicContact CG1-CD2 3.74Å; I1892-F2024 HydrophobicContact CG1-CE2 3.53Å; I1892-F2024 HydrophobicContact CG1-CZ 4.44Å; P1893-F2024 PolarHBondContact O-N 3.43Å; R1895-F2024 HydrophobicContact CB-CD2 4.35Å; R1895-F2024 HydrophobicContact CB-CE2 4.4Å; L1897-F2024 HydrophobicContact CD1-CB 4.25Å; I1900-F2024 HydrophobicContact CD1-CB 3.83Å; I1900-F2024 HydrophobicContact CD1-CD1 3.85Å; I1900-F2024 HydrophobicContact CD1-CD2 3.77Å; I1900-F2024 HydrophobicContact CD1-CE1 4.35Å; I1900-F2024 HydrophobicContact CD1-CE2 4.24Å; I1900-F2024 HydrophobicContact CD1-CG 3.54Å; I1900-F2024 HydrophobicContact CG2-CZ 4.43Å; L1949-F2024 HydrophobicContact CD1-CE1 3.76Å; L1949-F2024 HydrophobicContact CD1-CZ 3.69Å; T2021-F2024 HydrophobicContact CG2-CE1 4.32Å; T2021-F2024 HydrophobicContact CG2-CZ 4.44Å; F2024-V2032 HydrophobicContact CB-CG2 4.47Å; F2024-I2035 HydrophobicContact CD1-CD1 4.16Å; F2024-I2035 HydrophobicContact CD1-CG1 4.07Å; F2024-I2035 HydrophobicContact CE1-CD1 3.78Å; F2024-I2035 HydrophobicContact CE1-CG1 4.18Å; F2024-V2067 HydrophobicContact CD1-CG2 4.29Å; F2024-V2067 HydrophobicContact CE1-CB 4.43Å; F2024-V2067 HydrophobicContact CE1-CG1 3.85Å; F2024-V2067 HydrophobicContact CE1-CG2 4.16Å; F2024-V2067 HydrophobicContact CZ-CG1 4.41Å; F2024-L2069 HydrophobicContact CZ-CD2 4.33Å |
| 2025 | L | 93.2 | Very high | 90.5 | Very high | 39 Ų | 39 | 42.6 Ų | 42.6 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.6 | -174.6 | -55.2 | 174.8 | 0 | 0 | 0 | 110.6 | E2023 G2033 G2034 T2061 | E2023-L2025 HydrophobicContact CG-CD2 3.93Å; L2025-G2033 PolarHBondContact O-N 3.3Å; L2025-G2034 PolarHBondContact N-O 2.94Å; L2025-G2034 PolarHBondContact O-N 2.72Å; L2025-T2061 HydrophobicContact CD1-CG2 3.39Å |
| 2026 | D | 88.8 | Confident | 90.7 | Very high | 86 Ų | 86 | 45 Ų | 45 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.2 | 174.8 | -168.6 | -11.7 | 0 | 0 | 0 | 110.5 | L1897 G2028 K2029 G2030 | L1897-D2026 HydrophobicContact CD1-CB 4.07Å; L1897-D2026 HydrophobicContact CD2-CB 3.76Å; D2026-G2028 PolarHBondContact O-N 2.83Å; D2026-G2028 PolarHBondContact OD1-N 3.43Å; D2026-K2029 PolarHBondContact OD1-N 2.91Å; D2026-G2030 PolarHBondContact OD1-N 3.08Å |
| 2027 | N | 87.8 | Confident | 90.8 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 40% | 0.401 | 24% | 0.238 | S | C | . | . | trans | -80 | 5.4 | 170.9 | 70.6 | 2.5 | 0 | 0 | 0 | 113.6 | K2029 S2031 | N2027-K2029 VanDerWaalsContact C-N 3.33Å; N2027-K2029 WeakPolarHBondContact OD1-CA 3.38Å; N2027-K2029 VanDerWaalsContact OD1-CB 3.32Å; N2027-K2029 WeakPolarHBondContact OD1-CB 3.42Å; N2027-K2029 PolarHBondContact OD1-N 3.09Å; N2027-S2031 PolarHBondContact N-O 3.29Å; N2027-S2031 PolarHBondContact OD1-N 2.76Å; N2027-S2031 PolarHBondContact OD1-O 3.46Å; N2027-S2031 VanDerWaalsContact OD1-O 3.1Å | ||
| 2028 | G | 82.3 | Confident | 90.9 | Very high | 68 Ų | 68 | 41.3 Ų | 41.3 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 83.7 | 4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | D2026 | D2026-G2028 PolarHBondContact O-N 2.83Å; D2026-G2028 PolarHBondContact OD1-N 3.43Å |
| 2029 | K | 83.4 | Confident | 90.9 | Very high | 184 Ų | 184 | 44.1 Ų | 44.1 | 80% | 0.8 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -120.5 | 11.5 | 177.2 | -57.2 | -180 | -179.7 | 176.1 | 0 | 112.4 | D2026 N2027 S2031 | D2026-K2029 PolarHBondContact OD1-N 2.91Å; N2027-K2029 VanDerWaalsContact C-N 3.33Å; N2027-K2029 WeakPolarHBondContact OD1-CA 3.38Å; N2027-K2029 VanDerWaalsContact OD1-CB 3.32Å; N2027-K2029 WeakPolarHBondContact OD1-CB 3.42Å; N2027-K2029 PolarHBondContact OD1-N 3.09Å; K2029-S2031 VanDerWaalsContact C-N 3.33Å |
| 2030 | G | 85 | Confident | 90.8 | Very high | 33 Ų | 33 | 44.1 Ų | 44.1 | 34% | 0.34 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 79.9 | 14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1898 D2026 | Q1898-G2030 PolarHBondContact N-O 3.07Å; D2026-G2030 PolarHBondContact OD1-N 3.08Å |
| 2031 | S | 86.8 | Confident | 90.6 | Very high | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 26% | 0.259 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 156.6 | 175.7 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | Q1898 N2027 K2029 G2033 | Q1898-S2031 CarbonylContact O-C 3.55Å; Q1898-S2031 VanDerWaalsContact O-CA 3.26Å; Q1898-S2031 WeakPolarHBondContact O-CA 3.43Å; N2027-S2031 PolarHBondContact N-O 3.29Å; N2027-S2031 PolarHBondContact OD1-N 2.76Å; N2027-S2031 PolarHBondContact OD1-O 3.46Å; N2027-S2031 VanDerWaalsContact OD1-O 3.1Å; K2029-S2031 VanDerWaalsContact C-N 3.33Å; S2031-G2033 PolarHBondContact O-N 3.11Å |
| 2032 | V | 91 | Very high | 90.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 130.6 | 175.3 | 70.7 | 0 | 0 | 0 | 0 | 110.4 | Q1898 I1900 F2024 G2034 C2064 V2067 | Q1898-V2032 PolarHBondContact O-N 3.29Å; I1900-V2032 HydrophobicContact CD1-CB 4.42Å; I1900-V2032 HydrophobicContact CG1-CB 4.1Å; I1900-V2032 HydrophobicContact CG1-CG1 4.3Å; I1900-V2032 HydrophobicContact CG1-CG2 4.45Å; F2024-V2032 HydrophobicContact CB-CG2 4.47Å; V2032-G2034 WeakPolarHBondContact CG2-O 3.2Å; V2032-C2064 CarbonylContact C-O 3.58Å; V2032-V2067 HydrophobicContact CG1-CG2 4.29Å; V2032-V2067 HydrophobicContact CG2-CG2 4.1Å |
| 2033 | G | 91.5 | Very high | 89.8 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -17.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L2025 S2031 C2064 | L2025-G2033 PolarHBondContact O-N 3.3Å; S2031-G2033 PolarHBondContact O-N 3.11Å; G2033-C2064 CarbonylContact C-O 3.55Å; G2033-C2064 VanDerWaalsContact CA-O 3.26Å; G2033-C2064 WeakPolarHBondContact CA-O 3.33Å; G2033-C2064 PolarHBondContact O-N 2.87Å |
| 2034 | G | 93.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2025 V2032 F2062 | L2025-G2034 PolarHBondContact N-O 2.94Å; L2025-G2034 PolarHBondContact O-N 2.72Å; V2032-G2034 WeakPolarHBondContact CG2-O 3.2Å; G2034-F2062 CarbonylContact C-O 3.59Å; G2034-F2062 WeakPolarHBondContact CA-O 3.5Å |
| 2035 | I | 93.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 126.9 | -177.5 | -171.8 | 175.5 | 0 | 0 | 0 | 109.3 | V1947 L1949 F1973 T2021 F2024 T2037 T2061 F2062 | V1947-I2035 HydrophobicContact CG1-CD1 4.21Å; V1947-I2035 HydrophobicContact CG2-CG2 4.39Å; L1949-I2035 HydrophobicContact CD1-CD1 3.95Å; L1949-I2035 HydrophobicContact CD2-CD1 3.69Å; L1949-I2035 HydrophobicContact CG-CD1 4.28Å; F1973-I2035 HydrophobicContact CD2-CD1 4.32Å; F1973-I2035 HydrophobicContact CE2-CD1 4.31Å; F1973-I2035 HydrophobicContact CE2-CG2 3.81Å; T2021-I2035 HydrophobicContact CG2-CD1 3.46Å; T2021-I2035 VanDerWaalsContact CG2-CD1 3.46Å; T2021-I2035 HydrophobicContact CG2-CG1 3.48Å; T2021-I2035 VanDerWaalsContact CG2-CG1 3.48Å; F2024-I2035 HydrophobicContact CD1-CD1 4.16Å; F2024-I2035 HydrophobicContact CD1-CG1 4.07Å; F2024-I2035 HydrophobicContact CE1-CD1 3.78Å; F2024-I2035 HydrophobicContact CE1-CG1 4.18Å; I2035-T2037 HydrophobicContact CG1-CG2 4.26Å; I2035-T2061 WeakPolarHBondContact O-CA 3.32Å; I2035-F2062 HydrophobicContact CG2-CB 3.83Å; I2035-F2062 PolarHBondContact N-O 2.71Å; I2035-F2062 PolarHBondContact O-N 3.39Å |
| 2036 | R | 94.9 | Very high | 86.4 | Confident | 81 Ų | 81 | 57 Ų | 57 | 31% | 0.306 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.4 | 173 | -166.2 | 179.1 | -59.7 | 143.1 | 11 | 109.2 | K2022 E2023 E2060 | K2022-R2036 PolarHBondContact N-O 2.86Å; E2023-R2036 HydrophobicContact CB-CB 4.29Å; E2023-R2036 PolarHBondContact N-O 2.8Å; E2023-R2036 PolarHBondContact O-N 3.34Å; E2023-R2036 IonicContact OE2-CZ 3.49Å; E2023-R2036 IonicContact OE2-NH1 3.32Å; E2023-R2036 PolarHBondContact OE2-NH1 3.4Å; E2023-R2036 IonicContact OE2-NH2 2.75Å; E2023-R2036 PolarHBondContact OE2-NH2 3.41Å; R2036-E2060 WeakPolarHBondContact CA-O 3.22Å |
| 2037 | T | 94.2 | Very high | 84.9 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 166.8 | -179.8 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | F1973 T2019 I2020 I2035 E2059 E2060 F2062 | F1973-T2037 HydrophobicContact CD2-CG2 4.04Å; F1973-T2037 HydrophobicContact CE2-CG2 3.89Å; T2019-T2037 HydrophobicContact CG2-CG2 3.86Å; I2020-T2037 CarbonylContact O-C 3.59Å; I2020-T2037 WeakPolarHBondContact O-CA 3.36Å; I2020-T2037 VanDerWaalsContact O-CB 3.25Å; I2020-T2037 WeakPolarHBondContact O-CB 3.33Å; I2035-T2037 HydrophobicContact CG1-CG2 4.26Å; T2037-E2059 CarbonylContact O-C 3.57Å; T2037-E2059 WeakPolarHBondContact O-CA 3.47Å; T2037-E2060 PolarHBondContact N-O 3.2Å; T2037-E2060 PolarHBondContact O-N 2.97Å; T2037-E2060 PolarHBondContact OG1-O 2.93Å; T2037-F2062 HydrophobicContact CG2-CD2 4.11Å; T2037-F2062 HydrophobicContact CG2-CE2 4.37Å; T2037-F2062 WeakPolarHBondContact OG1-CE2 3.5Å |
| 2038 | A | 92.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | T2019 I2020 K2022 E2054 E2059 | T2019-A2038 WeakPolarHBondContact CA-O 3.4Å; I2020-A2038 HydrophobicContact CG2-CB 3.91Å; I2020-A2038 PolarHBondContact N-O 2.94Å; I2020-A2038 PolarHBondContact O-N 3.28Å; K2022-A2038 HydrophobicContact CD-CB 4.35Å; K2022-A2038 HydrophobicContact CG-CB 4.16Å; A2038-E2054 HydrophobicContact CB-CG 3.95Å; A2038-E2054 WeakPolarHBondContact CB-OE1 3.39Å; A2038-E2059 HydrophobicContact CB-CG 4.21Å |
| 2039 | K | 92.5 | Very high | 82.9 | Confident | 108 Ų | 108 | 60.9 Ų | 60.9 | 47% | 0.47 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 143.5 | 170.7 | -64.5 | -177.9 | 179.1 | 174.2 | 0 | 110.5 | N2018 V2055 S2058 | N2018-K2039 CarbonylContact O-C 3.46Å; N2018-K2039 VanDerWaalsContact O-CA 3.23Å; N2018-K2039 WeakPolarHBondContact O-CA 3.22Å; K2039-V2055 HydrophobicContact CB-CB 4.18Å; K2039-V2055 HydrophobicContact CB-CG2 4.18Å; K2039-V2055 PolarHBondContact O-N 3.2Å; K2039-S2058 PolarHBondContact N-OG 3.33Å; K2039-S2058 PolarHBondContact O-OG 2.92Å |
| 2040 | V | 91.5 | Very high | 82.4 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 151 | 173.5 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | I1975 N2018 I2020 M2052 N2053 | I1975-V2040 HydrophobicContact CG1-CG2 4.21Å; N2018-V2040 VanDerWaalsContact CB-O 3.3Å; N2018-V2040 WeakPolarHBondContact CB-O 3.21Å; N2018-V2040 PolarHBondContact O-N 3.27Å; I2020-V2040 HydrophobicContact CB-CG1 3.71Å; I2020-V2040 HydrophobicContact CD1-CG1 4.4Å; I2020-V2040 HydrophobicContact CG2-CG1 3.52Å; V2040-M2052 HydrophobicContact CB-CG 3.9Å; V2040-M2052 HydrophobicContact CB-SD 4.42Å; V2040-M2052 HydrophobicContact CG1-CG 4.02Å; V2040-M2052 HydrophobicContact CG1-SD 4.17Å; V2040-M2052 HydrophobicContact CG2-CG 4.28Å; V2040-M2052 HydrophobicContact CG2-SD 4.4Å; V2040-N2053 CarbonylContact C-O 3.53Å; V2040-N2053 VanDerWaalsContact CA-O 3.29Å; V2040-N2053 WeakPolarHBondContact CA-O 3.45Å |
| 2041 | E | 88.3 | Confident | 82.1 | Confident | 118 Ų | 118 | 60.2 Ų | 60.2 | 55% | 0.551 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 135.7 | 172.2 | -171.6 | 174.5 | -162.6 | 0 | 0 | 109.7 | T2043 N2053 V2055 | E2041-T2043 HydrophobicContact CG-CG2 4.43Å; E2041-N2053 PolarHBondContact N-O 3.43Å; E2041-N2053 PolarHBondContact O-N 3.43Å; E2041-V2055 HydrophobicContact CB-CG2 4.26Å |
| 2042 | W | 85.5 | Confident | 82.1 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.4 | 178.8 | -71.6 | 89 | 0 | 0 | 0 | 109.8 | I1975 L1976 W2050 L2051 M2052 | I1975-W2042 HydrophobicContact CG1-CZ2 4.29Å; I1975-W2042 HydrophobicContact CG2-CZ2 4.5Å; I1975-W2042 PolarHBondContact O-NE1 2.84Å; L1976-W2042 HydrophobicContact CD2-CH2 4.45Å; L1976-W2042 HydrophobicContact CD2-CZ2 3.94Å; W2042-W2050 HydrophobicContact CB-CE3 3.71Å; W2042-W2050 HydrophobicContact CB-CZ3 3.8Å; W2042-W2050 HydrophobicContact CE3-CB 3.92Å; W2042-W2050 HydrophobicContact CZ3-CB 4.16Å; W2042-L2051 WeakPolarHBondContact CA-O 3.35Å; W2042-M2052 HydrophobicContact CD2-CB 4.16Å; W2042-M2052 HydrophobicContact CD2-CG 4.37Å; W2042-M2052 HydrophobicContact CE3-CB 3.94Å; W2042-M2052 HydrophobicContact CH2-CB 3.9Å; W2042-M2052 HydrophobicContact CH2-CG 4.31Å; W2042-M2052 HydrophobicContact CH2-SD 4.15Å; W2042-M2052 HydrophobicContact CZ2-CB 4.07Å; W2042-M2052 HydrophobicContact CZ2-CG 3.99Å; W2042-M2052 HydrophobicContact CZ2-SD 3.75Å; W2042-M2052 HydrophobicContact CZ3-CB 3.83Å |
| 2043 | T | 81.2 | Confident | 81.9 | Confident | 51 Ų | 51 | 66.3 Ų | 66.3 | 31% | 0.313 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 149.2 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | E2041 W2050 L2051 N2053 | E2041-T2043 HydrophobicContact CG-CG2 4.43Å; T2043-W2050 CarbonylContact O-C 3.51Å; T2043-W2050 WeakPolarHBondContact O-CA 3.31Å; T2043-L2051 PolarHBondContact N-O 3.41Å; T2043-L2051 PolarHBondContact O-N 3.39Å; T2043-N2053 PolarHBondContact OG1-ND2 3.15Å |
| 2044 | K | 70.3 | Confident | 81.7 | Confident | 105 Ų | 105 | 69.5 Ų | 69.5 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.6 | 174 | -73.8 | 177.6 | 176.6 | 168.4 | 0 | 109.7 | E1987 W2050 | E1987-K2044 IonicContact OE1-NZ 2.66Å; E1987-K2044 PolarHBondContact OE1-NZ 2.99Å; K2044-W2050 HydrophobicContact CD-CZ2 4.39Å; K2044-W2050 HydrophobicContact CG-CD2 4Å; K2044-W2050 HydrophobicContact CG-CE3 4.07Å; K2044-W2050 HydrophobicContact CG-CH2 4.4Å; K2044-W2050 HydrophobicContact CG-CZ2 4.3Å; K2044-W2050 HydrophobicContact CG-CZ3 4.28Å |
| 2045 | S | 71.9 | Confident | 81.5 | Confident | 29 Ų | 29 | 72 Ų | 72 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | trans | -66.1 | 169.9 | 167.9 | 67 | 0 | 0 | 0 | 0 | 111.4 | T2047 G2048 K2049 | S2045-T2047 PolarHBondContact O-N 3.42Å; S2045-T2047 VanDerWaalsContact O-N 3.08Å; S2045-T2047 PolarHBondContact OG-N 2.99Å; S2045-T2047 PolarHBondContact OG-OG1 3.16Å; S2045-G2048 WeakPolarHBondContact O-CA 3.41Å; S2045-G2048 PolarHBondContact O-N 3.36Å; S2045-K2049 WeakPolarHBondContact CB-O 3.34Å; S2045-K2049 PolarHBondContact N-O 3.15Å; S2045-K2049 WeakPolarHBondContact OG-CB 3.43Å; S2045-K2049 PolarHBondContact OG-N 2.98Å; S2045-K2049 VanDerWaalsContact OG-N 3.14Å; S2045-K2049 PolarHBondContact OG-O 3.15Å; S2045-K2049 VanDerWaalsContact OG-O 3.06Å | ||
| 2046 | S | 67.9 | Low | 81.1 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 94% | 0.937 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.8 | 172.2 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 2047 | T | 57.2 | Low | 80.7 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 72% | 0.718 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 5.9 | 174.4 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | S2045 K2049 | S2045-T2047 PolarHBondContact O-N 3.42Å; S2045-T2047 VanDerWaalsContact O-N 3.08Å; S2045-T2047 PolarHBondContact OG-N 2.99Å; S2045-T2047 PolarHBondContact OG-OG1 3.16Å; T2047-K2049 PolarHBondContact O-N 2.75Å |
| 2048 | G | 60 | Low | 80.6 | Confident | 41 Ų | 41 | 82.3 Ų | 82.3 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 78.1 | -4.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | S2045 | S2045-G2048 WeakPolarHBondContact O-CA 3.41Å; S2045-G2048 PolarHBondContact O-N 3.36Å |
| 2049 | K | 68.9 | Low | 80.5 | Confident | 152 Ų | 152 | 87.5 Ų | 87.5 | 66% | 0.661 | 46% | 0.463 | S | S | * | . | trans | -70 | 131.7 | 176.4 | -170.4 | 178.3 | -179.4 | -179.5 | 0 | 111.2 | S2045 T2047 | S2045-K2049 WeakPolarHBondContact CB-O 3.34Å; S2045-K2049 PolarHBondContact N-O 3.15Å; S2045-K2049 WeakPolarHBondContact OG-CB 3.43Å; S2045-K2049 PolarHBondContact OG-N 2.98Å; S2045-K2049 VanDerWaalsContact OG-N 3.14Å; S2045-K2049 PolarHBondContact OG-O 3.15Å; S2045-K2049 VanDerWaalsContact OG-O 3.06Å; T2047-K2049 PolarHBondContact O-N 2.75Å | ||
| 2050 | W | 71.9 | Confident | 80.5 | Confident | 118 Ų | 118 | 86.5 Ų | 86.5 | 45% | 0.447 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 127.8 | 175.4 | -71.4 | 98.9 | 0 | 0 | 0 | 111.8 | W2042 T2043 K2044 | W2042-W2050 HydrophobicContact CB-CE3 3.71Å; W2042-W2050 HydrophobicContact CB-CZ3 3.8Å; W2042-W2050 HydrophobicContact CE3-CB 3.92Å; W2042-W2050 HydrophobicContact CZ3-CB 4.16Å; T2043-W2050 CarbonylContact O-C 3.51Å; T2043-W2050 WeakPolarHBondContact O-CA 3.31Å; K2044-W2050 HydrophobicContact CD-CZ2 4.39Å; K2044-W2050 HydrophobicContact CG-CD2 4Å; K2044-W2050 HydrophobicContact CG-CE3 4.07Å; K2044-W2050 HydrophobicContact CG-CH2 4.4Å; K2044-W2050 HydrophobicContact CG-CZ2 4.3Å; K2044-W2050 HydrophobicContact CG-CZ3 4.28Å |
| 2051 | L | 79.6 | Confident | 80.5 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.6 | 174.6 | -69.3 | 169.4 | 0 | 0 | 0 | 108.4 | W2042 T2043 | W2042-L2051 WeakPolarHBondContact CA-O 3.35Å; T2043-L2051 PolarHBondContact N-O 3.41Å; T2043-L2051 PolarHBondContact O-N 3.39Å |
| 2052 | M | 87 | Confident | 80.7 | Confident | 78 Ų | 78 | 84.8 Ų | 84.8 | 38% | 0.384 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.9 | 177.5 | -176.4 | -176.6 | 72.9 | 0 | 0 | 108.8 | I1975 I2020 V2040 W2042 | I1975-M2052 HydrophobicContact CD1-CE 4.4Å; I1975-M2052 HydrophobicContact CD1-SD 3.52Å; I1975-M2052 VanDerWaalsContact CD1-SD 3.52Å; I1975-M2052 HydrophobicContact CG1-SD 3.88Å; I2020-M2052 HydrophobicContact CD1-CE 3.65Å; I2020-M2052 HydrophobicContact CD1-SD 4.26Å; V2040-M2052 HydrophobicContact CB-CG 3.9Å; V2040-M2052 HydrophobicContact CB-SD 4.42Å; V2040-M2052 HydrophobicContact CG1-CG 4.02Å; V2040-M2052 HydrophobicContact CG1-SD 4.17Å; V2040-M2052 HydrophobicContact CG2-CG 4.28Å; V2040-M2052 HydrophobicContact CG2-SD 4.4Å; W2042-M2052 HydrophobicContact CD2-CB 4.16Å; W2042-M2052 HydrophobicContact CD2-CG 4.37Å; W2042-M2052 HydrophobicContact CE3-CB 3.94Å; W2042-M2052 HydrophobicContact CH2-CB 3.9Å; W2042-M2052 HydrophobicContact CH2-CG 4.31Å; W2042-M2052 HydrophobicContact CH2-SD 4.15Å; W2042-M2052 HydrophobicContact CZ2-CB 4.07Å; W2042-M2052 HydrophobicContact CZ2-CG 3.99Å; W2042-M2052 HydrophobicContact CZ2-SD 3.75Å; W2042-M2052 HydrophobicContact CZ3-CB 3.83Å |
| 2053 | N | 87 | Confident | 81 | Confident | 83 Ų | 83 | 88.4 Ų | 88.4 | 44% | 0.444 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.2 | 177.4 | -61.1 | -41.7 | 0 | 0 | 0 | 109.4 | V2040 E2041 T2043 | V2040-N2053 CarbonylContact C-O 3.53Å; V2040-N2053 VanDerWaalsContact CA-O 3.29Å; V2040-N2053 WeakPolarHBondContact CA-O 3.45Å; E2041-N2053 PolarHBondContact N-O 3.43Å; E2041-N2053 PolarHBondContact O-N 3.43Å; T2043-N2053 PolarHBondContact OG1-ND2 3.15Å |
| 2054 | E | 87 | Confident | 81.6 | Confident | 85 Ų | 85 | 86 Ų | 86 | 40% | 0.397 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 133.3 | 173.9 | -166.6 | 173.4 | 151.6 | 0 | 0 | 109.9 | K2022 A2038 P2056 | K2022-E2054 IonicContact NZ-OE1 2.98Å; K2022-E2054 PolarHBondContact NZ-OE1 2.85Å; K2022-E2054 IonicContact NZ-OE2 3.1Å; K2022-E2054 PolarHBondContact NZ-OE2 3.43Å; A2038-E2054 HydrophobicContact CB-CG 3.95Å; A2038-E2054 WeakPolarHBondContact CB-OE1 3.39Å; E2054-P2056 WeakPolarHBondContact O-CD 3.35Å |
| 2055 | V | 88.6 | Confident | 82.6 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 33% | 0.333 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 118.5 | 176.4 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | K2039 E2041 S2058 | K2039-V2055 HydrophobicContact CB-CB 4.18Å; K2039-V2055 HydrophobicContact CB-CG2 4.18Å; K2039-V2055 PolarHBondContact O-N 3.2Å; E2041-V2055 HydrophobicContact CB-CG2 4.26Å; V2055-S2058 VanDerWaalsContact O-CB 3.28Å; V2055-S2058 WeakPolarHBondContact O-CB 3.42Å; V2055-S2058 PolarHBondContact O-N 3.22Å; V2055-S2058 PolarHBondContact O-OG 3.37Å |
| 2056 | P | 85.1 | Confident | 83.6 | Confident | 108 Ų | 108 | 82 Ų | 82 | 70% | 0.701 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 144.2 | -179.7 | -23.9 | 34 | 0 | 0 | 0 | 112.2 | E2054 S2058 | E2054-P2056 WeakPolarHBondContact O-CD 3.35Å; P2056-S2058 PolarHBondContact O-N 2.91Å |
| 2057 | N | 87.4 | Confident | 84.8 | Confident | 174 Ų | 174 | 75.6 Ų | 75.6 | 93% | 0.93 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 27.1 | 178.9 | -53.6 | -41 | 0 | 0 | 0 | 115.1 | ||
| 2058 | S | 90.7 | Very high | 86.5 | Confident | 20 Ų | 20 | 70 Ų | 70 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | trans | -102.5 | 14.4 | -179.5 | 69.7 | 0 | 0 | 0 | 0 | 114 | K2039 V2055 P2056 | K2039-S2058 PolarHBondContact N-OG 3.33Å; K2039-S2058 PolarHBondContact O-OG 2.92Å; V2055-S2058 VanDerWaalsContact O-CB 3.28Å; V2055-S2058 WeakPolarHBondContact O-CB 3.42Å; V2055-S2058 PolarHBondContact O-N 3.22Å; V2055-S2058 PolarHBondContact O-OG 3.37Å; P2056-S2058 PolarHBondContact O-N 2.91Å | ||
| 2059 | E | 90.5 | Very high | 88.1 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | trans | -68.3 | 132 | -179.1 | -65.4 | -167.3 | 173.6 | 0 | 0 | 111.6 | T2037 A2038 | T2037-E2059 CarbonylContact O-C 3.57Å; T2037-E2059 WeakPolarHBondContact O-CA 3.47Å; A2038-E2059 HydrophobicContact CB-CG 4.21Å | ||
| 2060 | E | 92.3 | Very high | 89.2 | Confident | 87 Ų | 87 | 61.5 Ų | 61.5 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 149.4 | 179.3 | -165.2 | 173.6 | 175.3 | 0 | 0 | 109.2 | R2036 T2037 F2062 | R2036-E2060 WeakPolarHBondContact CA-O 3.22Å; T2037-E2060 PolarHBondContact N-O 3.2Å; T2037-E2060 PolarHBondContact O-N 2.97Å; T2037-E2060 PolarHBondContact OG1-O 2.93Å; E2060-F2062 HydrophobicContact CB-CE2 4.11Å; E2060-F2062 HydrophobicContact CB-CZ 4.19Å; E2060-F2062 HydrophobicContact CG-CE1 4.06Å; E2060-F2062 HydrophobicContact CG-CE2 4.04Å; E2060-F2062 HydrophobicContact CG-CZ 3.7Å; E2060-F2062 VanDerWaalsContact OE1-CE1 3.27Å; E2060-F2062 WeakPolarHBondContact OE1-CE1 3.4Å; E2060-F2062 WeakPolarHBondContact OE1-CZ 3.45Å; E2060-F2062 VanDerWaalsContact OE2-CZ 3.31Å; E2060-F2062 WeakPolarHBondContact OE2-CZ 3.2Å |
| 2061 | T | 91.9 | Very high | 90 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 129.5 | 177.3 | -62 | 0 | 0 | 0 | 0 | 110 | L2025 I2035 | L2025-T2061 HydrophobicContact CD1-CG2 3.39Å; I2035-T2061 WeakPolarHBondContact O-CA 3.32Å |
| 2062 | F | 92.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.6 | 178.1 | -61.2 | -71.4 | 0 | 0 | 0 | 110.4 | F1973 G2034 I2035 T2037 E2060 | F1973-F2062 HydrophobicContact CE1-CD2 4.06Å; F1973-F2062 HydrophobicContact CE1-CE2 4Å; F1973-F2062 HydrophobicContact CE1-CZ 4.5Å; F1973-F2062 AromaticContact CE2-CD2 3.91Å; F1973-F2062 HydrophobicContact CE2-CD2 3.91Å; F1973-F2062 HydrophobicContact CE2-CG 4.47Å; F1973-F2062 HydrophobicContact CZ-CB 4.13Å; F1973-F2062 HydrophobicContact CZ-CD1 4.5Å; F1973-F2062 AromaticContact CZ-CD2 3.29Å; F1973-F2062 HydrophobicContact CZ-CD2 3.29Å; F1973-F2062 AromaticContact CZ-CE2 3.7Å; F1973-F2062 HydrophobicContact CZ-CE2 3.7Å; F1973-F2062 AromaticContact CZ-CG 3.71Å; F1973-F2062 HydrophobicContact CZ-CG 3.71Å; F1973-F2062 HydrophobicContact CZ-CZ 4.45Å; G2034-F2062 CarbonylContact C-O 3.59Å; G2034-F2062 WeakPolarHBondContact CA-O 3.5Å; I2035-F2062 HydrophobicContact CG2-CB 3.83Å; I2035-F2062 PolarHBondContact N-O 2.71Å; I2035-F2062 PolarHBondContact O-N 3.39Å; T2037-F2062 HydrophobicContact CG2-CD2 4.11Å; T2037-F2062 HydrophobicContact CG2-CE2 4.37Å; T2037-F2062 WeakPolarHBondContact OG1-CE2 3.5Å; E2060-F2062 HydrophobicContact CB-CE2 4.11Å; E2060-F2062 HydrophobicContact CB-CZ 4.19Å; E2060-F2062 HydrophobicContact CG-CE1 4.06Å; E2060-F2062 HydrophobicContact CG-CE2 4.04Å; E2060-F2062 HydrophobicContact CG-CZ 3.7Å; E2060-F2062 VanDerWaalsContact OE1-CE1 3.27Å; E2060-F2062 WeakPolarHBondContact OE1-CE1 3.4Å; E2060-F2062 WeakPolarHBondContact OE1-CZ 3.45Å; E2060-F2062 VanDerWaalsContact OE2-CZ 3.31Å; E2060-F2062 WeakPolarHBondContact OE2-CZ 3.2Å |
| 2063 | E | 92.2 | Very high | 90.3 | Very high | 139 Ų | 139 | 54 Ų | 54 | 65% | 0.65 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137 | 176.9 | -56.3 | -173.1 | 149.9 | 0 | 0 | 111.2 | R1945 | R1945-E2063 IonicContact CZ-OE2 3.7Å; R1945-E2063 VanDerWaalsContact NH1-CB 3.26Å; R1945-E2063 IonicContact NH1-OE2 2.7Å; R1945-E2063 PolarHBondContact NH1-OE2 3.45Å |
| 2064 | C | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -156.9 | 145.2 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | R1945 V1947 V2032 G2033 | R1945-C2064 WeakPolarHBondContact O-CA 3.33Å; V1947-C2064 HydrophobicContact CB-CB 4.13Å; V1947-C2064 HydrophobicContact CG2-CB 3.47Å; V1947-C2064 VanDerWaalsContact CG2-CB 3.47Å; V2032-C2064 CarbonylContact C-O 3.58Å; G2033-C2064 CarbonylContact C-O 3.55Å; G2033-C2064 VanDerWaalsContact CA-O 3.26Å; G2033-C2064 WeakPolarHBondContact CA-O 3.33Å; G2033-C2064 PolarHBondContact O-N 2.87Å | ||
| 2065 | D | 92.1 | Very high | 90 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 26% | 0.262 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -110.2 | -11.3 | 178.6 | -41.7 | -66 | 0 | 0 | 0 | 112.5 | K1944 R1945 | K1944-D2065 HydrophobicContact CB-CB 4.13Å; K1944-D2065 HydrophobicContact CD-CB 4.2Å; K1944-D2065 HydrophobicContact CG-CB 4.28Å; R1945-D2065 WeakPolarHBondContact CB-OD2 3.37Å; R1945-D2065 IonicContact CZ-OD1 3.73Å; R1945-D2065 IonicContact CZ-OD2 3.72Å; R1945-D2065 PolarHBondContact N-OD2 3.18Å; R1945-D2065 IonicContact NE-OD1 2.89Å; R1945-D2065 PolarHBondContact NE-OD1 2.99Å; R1945-D2065 IonicContact NE-OD2 3.83Å; R1945-D2065 PolarHBondContact NE-OD2 3.14Å; R1945-D2065 IonicContact NH2-OD1 3.48Å; R1945-D2065 PolarHBondContact NH2-OD1 3.23Å; R1945-D2065 IonicContact NH2-OD2 2.62Å; R1945-D2065 PolarHBondContact O-N 2.9Å |
| 2066 | L | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 125.9 | 178.7 | 179.4 | 68 | 0 | 0 | 0 | 109.3 | G1899 L1940 A1941 K1944 R1945 V1946 V1947 L2068 | G1899-L2066 CarbonylContact O-C 3.5Å; G1899-L2066 WeakPolarHBondContact O-CA 3.41Å; G1899-L2066 WeakPolarHBondContact O-CD1 3.19Å; L1940-L2066 HydrophobicContact CD2-CD1 4.37Å; L1940-L2066 HydrophobicContact CG-CD1 4.48Å; A1941-L2066 HydrophobicContact CB-CD2 3.91Å; K1944-L2066 HydrophobicContact CD-CB 4.23Å; R1945-L2066 PolarHBondContact O-N 3.37Å; V1946-L2066 CarbonylContact C-O 3.52Å; V1946-L2066 WeakPolarHBondContact CA-O 3.34Å; V1946-L2066 HydrophobicContact CG1-CD2 4.05Å; V1946-L2066 HydrophobicContact CG1-CG 4.31Å; V1946-L2066 HydrophobicContact CG2-CB 4.31Å; V1946-L2066 HydrophobicContact CG2-CD2 3.94Å; V1947-L2066 PolarHBondContact N-O 3.16Å; L2066-L2068 HydrophobicContact CD1-CD2 4.24Å; L2066-L2068 HydrophobicContact CD2-CD2 4.32Å; L2066-L2068 HydrophobicContact CD2-CG 4.44Å; L2066-L2068 HydrophobicContact CG-CD2 4.23Å; L2066-L2068 HydrophobicContact CG-CG 4.37Å |
| 2067 | V | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 127.9 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | G1899 I1900 H1901 V1947 L1949 F2024 V2032 L2069 | G1899-V2067 PolarHBondContact O-N 3Å; I1900-V2067 WeakPolarHBondContact CA-O 3.49Å; I1900-V2067 HydrophobicContact CB-CB 4.38Å; I1900-V2067 HydrophobicContact CG1-CB 4.11Å; I1900-V2067 HydrophobicContact CG1-CG2 4.35Å; I1900-V2067 HydrophobicContact CG2-CB 4.17Å; I1900-V2067 HydrophobicContact CG2-CG1 4.25Å; H1901-V2067 PolarHBondContact N-O 3.02Å; V1947-V2067 HydrophobicContact CB-CG2 4.41Å; V1947-V2067 CarbonylContact O-C 3.08Å; V1947-V2067 VanDerWaalsContact O-CA 3.23Å; V1947-V2067 WeakPolarHBondContact O-CA 3.43Å; L1949-V2067 HydrophobicContact CD1-CG1 3.93Å; L1949-V2067 HydrophobicContact CG-CG1 3.91Å; F2024-V2067 HydrophobicContact CD1-CG2 4.29Å; F2024-V2067 HydrophobicContact CE1-CB 4.43Å; F2024-V2067 HydrophobicContact CE1-CG1 3.85Å; F2024-V2067 HydrophobicContact CE1-CG2 4.16Å; F2024-V2067 HydrophobicContact CZ-CG1 4.41Å; V2032-V2067 HydrophobicContact CG1-CG2 4.29Å; V2032-V2067 HydrophobicContact CG2-CG2 4.1Å; V2067-L2069 HydrophobicContact CG1-CD2 4.02Å |
| 2068 | L | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.7 | 174.4 | -59.2 | 178.6 | 0 | 0 | 0 | 110.4 | H1901 F1906 V1946 V1947 I1948 L1949 C1958 L2066 A2070 | H1901-L2068 HydrophobicContact CB-CD2 4.24Å; H1901-L2068 CarbonylContact O-C 3.41Å; H1901-L2068 WeakPolarHBondContact O-CA 3.44Å; F1906-L2068 HydrophobicContact CB-CD2 3.89Å; F1906-L2068 HydrophobicContact CD1-CD1 3.68Å; F1906-L2068 HydrophobicContact CD1-CD2 4.32Å; F1906-L2068 HydrophobicContact CE1-CD1 3.89Å; F1906-L2068 HydrophobicContact CG-CD1 4.19Å; F1906-L2068 HydrophobicContact CG-CD2 4.02Å; V1946-L2068 HydrophobicContact CG1-CD1 4.11Å; V1946-L2068 HydrophobicContact CG1-CG 4.31Å; V1947-L2068 PolarHBondContact O-N 2.69Å; I1948-L2068 CarbonylContact C-O 3.59Å; I1948-L2068 WeakPolarHBondContact CA-O 3.46Å; I1948-L2068 HydrophobicContact CG1-CB 4.22Å; I1948-L2068 HydrophobicContact CG1-CD1 4.31Å; L1949-L2068 PolarHBondContact N-O 2.99Å; C1958-L2068 HydrophobicContact CB-CD1 3.9Å; L2066-L2068 HydrophobicContact CD1-CD2 4.24Å; L2066-L2068 HydrophobicContact CD2-CD2 4.32Å; L2066-L2068 HydrophobicContact CD2-CG 4.44Å; L2066-L2068 HydrophobicContact CG-CD2 4.23Å; L2066-L2068 HydrophobicContact CG-CG 4.37Å; L2068-A2070 PolarHBondContact O-N 3.22Å |
| 2069 | L | 93.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 102 | 179.2 | -54.7 | -179.3 | 0 | 0 | 0 | 110.2 | I1900 H1901 F1902 A1903 L1949 F2024 V2067 M2071 | I1900-L2069 HydrophobicContact CG2-CD1 4.15Å; I1900-L2069 HydrophobicContact CG2-CD2 4.32Å; I1900-L2069 HydrophobicContact CG2-CG 4.19Å; H1901-L2069 PolarHBondContact O-N 3.3Å; F1902-L2069 HydrophobicContact CD1-CB 3.85Å; F1902-L2069 HydrophobicContact CD1-CD1 4.03Å; F1902-L2069 HydrophobicContact CE1-CB 4.32Å; F1902-L2069 HydrophobicContact CE1-CD1 3.83Å; A1903-L2069 VanDerWaalsContact CB-O 3.31Å; A1903-L2069 WeakPolarHBondContact CB-O 3.44Å; A1903-L2069 PolarHBondContact N-O 2.87Å; L1949-L2069 HydrophobicContact CB-CD2 4.09Å; L1949-L2069 HydrophobicContact CD1-CD2 3.72Å; L1949-L2069 HydrophobicContact CG-CD2 4.24Å; F2024-L2069 HydrophobicContact CZ-CD2 4.33Å; V2067-L2069 HydrophobicContact CG1-CD2 4.02Å; L2069-M2071 HydrophobicContact CB-CE 4.18Å; L2069-M2071 HydrophobicContact CD1-CE 4.38Å; L2069-M2071 HydrophobicContact CD2-CE 4.37Å |
| 2070 | A | 92.3 | Very high | 88.1 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 49.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1903 I1948 L1949 T1954 L2068 | A1903-A2070 HydrophobicContact CB-CB 3.92Å; I1948-A2070 HydrophobicContact CG2-CB 3.89Å; L1949-A2070 CarbonylContact O-C 3.55Å; L1949-A2070 WeakPolarHBondContact O-CA 3.25Å; L1949-A2070 PolarHBondContact O-N 2.82Å; T1954-A2070 HydrophobicContact CG2-CB 4.38Å; L2068-A2070 PolarHBondContact O-N 3.22Å |
| 2071 | M | 89.2 | Confident | 87.7 | Confident | 52 Ų | 52 | 32 Ų | 32 | 26% | 0.256 | 18% | 0.177 | S | C | . | . | trans | -98.7 | 7.4 | -171.2 | -56 | 179.4 | -58 | 0 | 0 | 114.8 | R1888 L1890 L1949 L2069 | R1888-M2071 HydrophobicContact CB-CB 4.36Å; R1888-M2071 HydrophobicContact CG-CB 4.46Å; R1888-M2071 WeakPolarHBondContact O-CE 3.28Å; L1890-M2071 HydrophobicContact CB-CE 3.63Å; L1890-M2071 HydrophobicContact CB-SD 4Å; L1890-M2071 HydrophobicContact CD2-SD 4.42Å; L1949-M2071 WeakPolarHBondContact O-CG 3.26Å; L2069-M2071 HydrophobicContact CB-CE 4.18Å; L2069-M2071 HydrophobicContact CD1-CE 4.38Å; L2069-M2071 HydrophobicContact CD2-CE 4.37Å | ||
| 2072 | G | 85.9 | Confident | 87.3 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | trans | 87.9 | -166.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1888 | R1888-G2072 WeakPolarHBondContact CB-O 3.45Å; R1888-G2072 PolarHBondContact N-O 2.96Å | ||
| 2073 | F | 86.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 38 Ų | 38 | 22% | 0.224 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 154.6 | -172 | -52.4 | -89.3 | 0 | 0 | 0 | 112.1 | A1884 W1886 P1887 M1904 | A1884-F2073 HydrophobicContact CB-CB 4Å; A1884-F2073 VanDerWaalsContact O-CB 3.27Å; A1884-F2073 WeakPolarHBondContact O-CB 3.34Å; A1884-F2073 WeakPolarHBondContact O-CD1 3.43Å; A1884-F2073 WeakPolarHBondContact O-CG 3.28Å; W1886-F2073 CarbonylContact O-C 3.58Å; W1886-F2073 VanDerWaalsContact O-CA 3.22Å; W1886-F2073 WeakPolarHBondContact O-CA 3.04Å; W1886-F2073 WeakPolarHBondContact O-CB 3.49Å; P1887-F2073 HydrophobicContact CB-CD1 4.3Å; P1887-F2073 HydrophobicContact CB-CE1 4.45Å; M1904-F2073 HydrophobicContact CG-CE1 3.73Å; M1904-F2073 HydrophobicContact CG-CZ 3.35Å; M1904-F2073 HydrophobicContact SD-CZ 4.11Å |
| 2074 | L | 83.2 | Confident | 86.6 | Confident | 77 Ų | 77 | 31.7 Ų | 31.7 | 40% | 0.403 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -30.9 | -177.3 | -63.8 | -179.7 | 0 | 0 | 0 | 113.8 | W1886 R1888 | W1886-L2074 PolarHBondContact O-N 2.85Å; R1888-L2074 HydrophobicContact CB-CD2 4.32Å; R1888-L2074 HydrophobicContact CB-CG 4.37Å; R1888-L2074 HydrophobicContact CG-CD2 4.37Å |
| 2075 | G | 84.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 39 Ų | 39 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165 | -173.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A1884 T1885 W1886 | A1884-G2075 CarbonylContact C-O 3.57Å; A1884-G2075 VanDerWaalsContact C-O 3.3Å; A1884-G2075 WeakPolarHBondContact CA-O 3.34Å; T1885-G2075 PolarHBondContact N-O 2.8Å; T1885-G2075 VanDerWaalsContact N-O 3.12Å; W1886-G2075 WeakPolarHBondContact CB-O 3.17Å; W1886-G2075 PolarHBondContact N-O 2.73Å; W1886-G2075 VanDerWaalsContact N-O 3.08Å |
| 2076 | P | 86.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 37.3 Ų | 37.3 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -70.6 | 165.9 | 172.7 | 31.3 | -32.5 | 0 | 0 | 0 | 111.9 | L1882 G1883 V2081 S2092 I2094 C2115 | L1882-P2076 HydrophobicContact CB-CB 4.36Å; L1882-P2076 HydrophobicContact CD1-CB 4.32Å; G1883-P2076 WeakPolarHBondContact O-CA 3.45Å; P2076-V2081 HydrophobicContact CG-CG2 4.48Å; P2076-S2092 VanDerWaalsContact CD-O 3.29Å; P2076-S2092 WeakPolarHBondContact CD-O 3.35Å; P2076-I2094 HydrophobicContact CG-CG1 4.34Å; P2076-C2115 HydrophobicContact CB-CB 3.67Å; P2076-C2115 HydrophobicContact CG-CB 3.96Å |
| 2077 | E | 79.2 | Confident | 86.2 | Confident | 25 Ų | 25 | 39.7 Ų | 39.7 | 12% | 0.117 | 21% | 0.209 | C | C | . | . | trans | -61 | 136.1 | 170.1 | -87.3 | 152.3 | -116.3 | 0 | 0 | 111.8 | R1798 R1839 R1850 T1885 | R1798-E2077 IonicContact CZ-OE1 3.26Å; R1798-E2077 IonicContact NH1-OE1 3.82Å; R1798-E2077 PolarHBondContact NH1-OE1 2.94Å; R1798-E2077 IonicContact NH1-OE2 3.13Å; R1798-E2077 PolarHBondContact NH1-OE2 3.09Å; R1798-E2077 IonicContact NH2-OE1 3.91Å; R1839-E2077 IonicContact NH2-OE2 3.67Å; R1850-E2077 IonicContact CZ-OE1 3.58Å; R1850-E2077 IonicContact CZ-OE2 3.96Å; R1850-E2077 IonicContact NH1-OE1 3.25Å; R1850-E2077 PolarHBondContact NH1-OE1 2.86Å; R1850-E2077 IonicContact NH2-OE1 2.85Å; R1850-E2077 PolarHBondContact NH2-OE1 2.63Å; R1850-E2077 IonicContact NH2-OE2 3Å; R1850-E2077 PolarHBondContact NH2-OE2 3.08Å; T1885-E2077 WeakPolarHBondContact CB-OE1 3.36Å; T1885-E2077 PolarHBondContact OG1-OE1 3.24Å | ||
| 2078 | T | 78.7 | Confident | 86 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 46% | 0.46 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -80 | -17.7 | -173.8 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | L2080 V2081 K2082 | T2078-L2080 PolarHBondContact O-N 3.35Å; T2078-V2081 PolarHBondContact O-N 3.45Å; T2078-K2082 WeakPolarHBondContact O-CG 3.41Å; T2078-K2082 PolarHBondContact O-N 2.95Å |
| 2079 | T | 77.5 | Confident | 85.8 | Confident | 51 Ų | 51 | 44.9 Ų | 44.9 | 31% | 0.313 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.8 | -50.9 | -176.6 | -29.7 | 0 | 0 | 0 | 0 | 111.5 | G1841 N1842 V2081 K2082 E2083 | G1841-T2079 WeakPolarHBondContact O-CB 3.43Å; G1841-T2079 WeakPolarHBondContact O-CG2 3.38Å; N1842-T2079 HydrophobicContact CB-CG2 4.44Å; T2079-V2081 VanDerWaalsContact C-N 3.34Å; T2079-V2081 PolarHBondContact O-N 3.49Å; T2079-K2082 PolarHBondContact O-N 3.26Å; T2079-E2083 PolarHBondContact O-N 2.98Å |
| 2080 | L | 80.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 50 Ų | 50 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 178.9 | -148.7 | 93.1 | 0 | 0 | 0 | 112.6 | V1840 L1880 L1882 T2078 K2082 E2083 F2084 | V1840-L2080 HydrophobicContact CB-CD1 3.63Å; V1840-L2080 HydrophobicContact CG1-CD1 3.5Å; V1840-L2080 WeakPolarHBondContact O-CD1 3.44Å; L1880-L2080 HydrophobicContact CD1-CD2 4.07Å; L1880-L2080 HydrophobicContact CD2-CD2 3.51Å; L1880-L2080 HydrophobicContact CG-CD2 4.37Å; L1882-L2080 HydrophobicContact CD1-CB 4.29Å; L1882-L2080 HydrophobicContact CD1-CD2 3.72Å; L1882-L2080 HydrophobicContact CD2-CD2 3.9Å; L1882-L2080 HydrophobicContact CG-CD2 4.39Å; T2078-L2080 PolarHBondContact O-N 3.35Å; L2080-K2082 VanDerWaalsContact C-N 3.28Å; L2080-K2082 PolarHBondContact O-N 2.72Å; L2080-E2083 PolarHBondContact O-N 3.37Å; L2080-F2084 HydrophobicContact CD1-CE2 4.33Å; L2080-F2084 HydrophobicContact CD2-CD2 3.93Å; L2080-F2084 HydrophobicContact CD2-CE2 3.77Å; L2080-F2084 HydrophobicContact CG-CD2 3.8Å; L2080-F2084 HydrophobicContact CG-CE2 3.84Å; L2080-F2084 PolarHBondContact O-N 2.81Å |
| 2081 | V | 82.7 | Confident | 84.8 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 176.8 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | P2076 T2078 T2079 E2085 L2086 L2088 I2094 | P2076-V2081 HydrophobicContact CG-CG2 4.48Å; T2078-V2081 PolarHBondContact O-N 3.45Å; T2079-V2081 VanDerWaalsContact C-N 3.34Å; T2079-V2081 PolarHBondContact O-N 3.49Å; V2081-E2085 PolarHBondContact O-N 3.02Å; V2081-L2086 HydrophobicContact CG1-CB 4.01Å; V2081-L2086 VanDerWaalsContact CG1-O 3.31Å; V2081-L2086 WeakPolarHBondContact CG1-O 3.34Å; V2081-L2086 PolarHBondContact O-N 3.44Å; V2081-L2088 HydrophobicContact CG1-CD1 4.1Å; V2081-L2088 HydrophobicContact CG1-CD2 3.81Å; V2081-L2088 HydrophobicContact CG1-CG 3.81Å; V2081-L2088 HydrophobicContact CG2-CD2 4.17Å; V2081-I2094 HydrophobicContact CG2-CG1 4.39Å |
| 2082 | K | 84 | Confident | 84.7 | Confident | 154 Ų | 154 | 56.4 Ų | 56.4 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69 | -43.6 | 176.6 | -71.5 | 173.2 | -179.6 | -180 | 0 | 112.2 | T2078 T2079 L2080 E2085 | T2078-K2082 WeakPolarHBondContact O-CG 3.41Å; T2078-K2082 PolarHBondContact O-N 2.95Å; T2079-K2082 PolarHBondContact O-N 3.26Å; L2080-K2082 VanDerWaalsContact C-N 3.28Å; L2080-K2082 PolarHBondContact O-N 2.72Å; K2082-E2085 PolarHBondContact O-N 3.11Å; K2082-E2085 VanDerWaalsContact O-N 3.1Å |
| 2083 | E | 84.6 | Confident | 85 | Confident | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -71 | -35.2 | -175.1 | -160.7 | -177.1 | 149 | 0 | 0 | 113.7 | G1841 S1867 A1868 T2079 L2080 E2085 | G1841-E2083 VanDerWaalsContact C-OE2 3.23Å; G1841-E2083 WeakPolarHBondContact CA-OE2 3.49Å; S1867-E2083 WeakPolarHBondContact CA-OE1 3.3Å; S1867-E2083 WeakPolarHBondContact CB-OE1 3.4Å; A1868-E2083 HydrophobicContact CB-CB 4.15Å; A1868-E2083 HydrophobicContact CB-CG 3.72Å; A1868-E2083 WeakPolarHBondContact CB-OE1 3.45Å; A1868-E2083 PolarHBondContact N-OE1 2.9Å; T2079-E2083 PolarHBondContact O-N 2.98Å; L2080-E2083 PolarHBondContact O-N 3.37Å; E2083-E2085 VanDerWaalsContact C-N 3.28Å |
| 2084 | F | 85.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 53.7 Ų | 53.7 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.7 | 169.9 | -78.9 | -74.2 | 0 | 0 | 0 | 113.3 | A1868 L1871 L1872 I1878 L1880 L2080 L2086 I2106 V2109 | A1868-F2084 HydrophobicContact CB-CD1 3.92Å; A1868-F2084 HydrophobicContact CB-CD2 3.78Å; A1868-F2084 HydrophobicContact CB-CE1 3.72Å; A1868-F2084 HydrophobicContact CB-CE2 3.55Å; A1868-F2084 HydrophobicContact CB-CG 3.95Å; A1868-F2084 HydrophobicContact CB-CZ 3.53Å; L1871-F2084 HydrophobicContact CB-CZ 4.45Å; L1871-F2084 HydrophobicContact CD1-CZ 4.16Å; L1872-F2084 HydrophobicContact CD1-CD1 4.21Å; L1872-F2084 HydrophobicContact CD1-CE1 4.06Å; L1872-F2084 HydrophobicContact CD2-CE1 4.18Å; L1872-F2084 HydrophobicContact CG-CD1 4.48Å; L1872-F2084 HydrophobicContact CG-CE1 3.9Å; I1878-F2084 HydrophobicContact CD1-CE1 4.2Å; I1878-F2084 HydrophobicContact CD1-CZ 4.43Å; I1878-F2084 HydrophobicContact CG2-CZ 4.36Å; L1880-F2084 HydrophobicContact CD1-CD2 4.42Å; L1880-F2084 HydrophobicContact CD2-CE2 4.17Å; L2080-F2084 HydrophobicContact CD1-CE2 4.33Å; L2080-F2084 HydrophobicContact CD2-CD2 3.93Å; L2080-F2084 HydrophobicContact CD2-CE2 3.77Å; L2080-F2084 HydrophobicContact CG-CD2 3.8Å; L2080-F2084 HydrophobicContact CG-CE2 3.84Å; L2080-F2084 PolarHBondContact O-N 2.81Å; F2084-L2086 VanDerWaalsContact C-N 3.32Å; F2084-L2086 HydrophobicContact CB-CD1 3.79Å; F2084-L2086 HydrophobicContact CB-CD2 4.43Å; F2084-L2086 HydrophobicContact CB-CG 3.66Å; F2084-L2086 HydrophobicContact CG-CD1 4.46Å; F2084-L2086 PolarHBondContact O-N 2.88Å; F2084-I2106 WeakPolarHBondContact O-CD1 3.26Å; F2084-I2106 WeakPolarHBondContact O-CG1 3.29Å; F2084-V2109 HydrophobicContact CD1-CG2 3.97Å; F2084-V2109 HydrophobicContact CE1-CG2 3.93Å |
| 2085 | E | 88.7 | Confident | 85.7 | Confident | 152 Ų | 152 | 54.7 Ų | 54.7 | 71% | 0.71 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 43.8 | -174 | -57.2 | -178.4 | 174 | 0 | 0 | 113.2 | V2081 K2082 E2083 H2105 | V2081-E2085 PolarHBondContact O-N 3.02Å; K2082-E2085 PolarHBondContact O-N 3.11Å; K2082-E2085 VanDerWaalsContact O-N 3.1Å; E2083-E2085 VanDerWaalsContact C-N 3.28Å; E2085-H2105 PolarHBondContact O-CE1 2.84Å; E2085-H2105 PolarHBondContact O-NE2 2.92Å |
| 2086 | L | 89.3 | Confident | 86 | Confident | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | trans | -82.4 | 142.6 | -178.5 | -67.6 | 169.7 | 0 | 0 | 0 | 112.4 | L1880 V2081 F2084 I2094 T2104 I2106 V2109 | L1880-L2086 HydrophobicContact CD1-CD1 3.4Å; V2081-L2086 HydrophobicContact CG1-CB 4.01Å; V2081-L2086 VanDerWaalsContact CG1-O 3.31Å; V2081-L2086 WeakPolarHBondContact CG1-O 3.34Å; V2081-L2086 PolarHBondContact O-N 3.44Å; F2084-L2086 VanDerWaalsContact C-N 3.32Å; F2084-L2086 HydrophobicContact CB-CD1 3.79Å; F2084-L2086 HydrophobicContact CB-CD2 4.43Å; F2084-L2086 HydrophobicContact CB-CG 3.66Å; F2084-L2086 HydrophobicContact CG-CD1 4.46Å; F2084-L2086 PolarHBondContact O-N 2.88Å; L2086-I2094 HydrophobicContact CD1-CD1 4.35Å; L2086-I2094 HydrophobicContact CD1-CG2 4.45Å; L2086-T2104 HydrophobicContact CD2-CG2 3.86Å; L2086-I2106 HydrophobicContact CD2-CB 4.4Å; L2086-I2106 HydrophobicContact CD2-CG1 3.8Å; L2086-V2109 HydrophobicContact CD2-CG1 4.42Å | ||
| 2087 | S | 90.4 | Very high | 86.1 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | trans | -87 | 140.4 | 178.5 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | Q2095 H2105 | S2087-Q2095 WeakPolarHBondContact O-CB 3.49Å; S2087-Q2095 PolarHBondContact O-N 3.48Å; S2087-H2105 PolarHBondContact N-CE1 2.9Å; S2087-H2105 PolarHBondContact OG-CE1 2.83Å | ||
| 2088 | L | 89.7 | Confident | 86 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -109.4 | 145.6 | 175.2 | -62.2 | 179.4 | 0 | 0 | 0 | 110.9 | V2081 V2093 I2094 | V2081-L2088 HydrophobicContact CG1-CD1 4.1Å; V2081-L2088 HydrophobicContact CG1-CD2 3.81Å; V2081-L2088 HydrophobicContact CG1-CG 3.81Å; V2081-L2088 HydrophobicContact CG2-CD2 4.17Å; L2088-V2093 CarbonylContact C-O 3.59Å; L2088-V2093 VanDerWaalsContact CA-O 3.24Å; L2088-V2093 WeakPolarHBondContact CA-O 3.35Å; L2088-I2094 HydrophobicContact CD2-CG1 4.1Å |
| 2089 | T | 88.4 | Confident | 85.9 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | trans | -75.6 | 174.4 | 170.3 | 77.2 | 0 | 0 | 0 | 0 | 111.3 | Q2091 S2092 V2093 Q2095 | T2089-Q2091 PolarHBondContact O-N 2.85Å; T2089-Q2091 VanDerWaalsContact O-N 3.1Å; T2089-Q2091 PolarHBondContact OG1-N 2.89Å; T2089-Q2091 PolarHBondContact OG1-OE1 2.9Å; T2089-S2092 PolarHBondContact O-N 2.79Å; T2089-V2093 HydrophobicContact CG2-CG2 4.01Å; T2089-V2093 PolarHBondContact N-O 3.49Å; T2089-V2093 WeakPolarHBondContact OG1-CG2 3.3Å; T2089-Q2095 HydrophobicContact CG2-CB 4.11Å; T2089-Q2095 HydrophobicContact CG2-CG 4.39Å | ||
| 2090 | S | 83.8 | Confident | 86 | Confident | 115 Ų | 115 | 67 Ų | 67 | 80% | 0.804 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -14.4 | 174 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | S2092 | S2090-S2092 VanDerWaalsContact C-N 3.34Š|
| 2091 | Q | 80.7 | Confident | 85.9 | Confident | 132 Ų | 132 | 69.8 Ų | 69.8 | 62% | 0.617 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 11.8 | 172.3 | -55.8 | 88.4 | 1.4 | 0 | 0 | 112.8 | T2089 V2093 | T2089-Q2091 PolarHBondContact O-N 2.85Å; T2089-Q2091 VanDerWaalsContact O-N 3.1Å; T2089-Q2091 PolarHBondContact OG1-N 2.89Å; T2089-Q2091 PolarHBondContact OG1-OE1 2.9Å; Q2091-V2093 VanDerWaalsContact C-N 3.31Å; Q2091-V2093 PolarHBondContact O-N 3.3Å |
| 2092 | S | 87.8 | Confident | 86.4 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 60.4 | 34.7 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | P2076 T2089 S2090 | P2076-S2092 VanDerWaalsContact CD-O 3.29Å; P2076-S2092 WeakPolarHBondContact CD-O 3.35Å; T2089-S2092 PolarHBondContact O-N 2.79Å; S2090-S2092 VanDerWaalsContact C-N 3.34Å |
| 2093 | V | 91.1 | Very high | 86.9 | Confident | 12 Ų | 12 | 64 Ų | 64 | 7% | 0.073 | 35% | 0.353 | C | S | . | . | trans | -113.6 | 156.1 | 173.8 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | L2088 T2089 Q2091 Q2095 C2115 R2116 | L2088-V2093 CarbonylContact C-O 3.59Å; L2088-V2093 VanDerWaalsContact CA-O 3.24Å; L2088-V2093 WeakPolarHBondContact CA-O 3.35Å; T2089-V2093 HydrophobicContact CG2-CG2 4.01Å; T2089-V2093 PolarHBondContact N-O 3.49Å; T2089-V2093 WeakPolarHBondContact OG1-CG2 3.3Å; Q2091-V2093 VanDerWaalsContact C-N 3.31Å; Q2091-V2093 PolarHBondContact O-N 3.3Å; V2093-Q2095 PolarHBondContact O-N 3.3Å; V2093-C2115 WeakPolarHBondContact CA-O 3.45Å; V2093-C2115 WeakPolarHBondContact CB-O 3.23Å; V2093-R2116 WeakPolarHBondContact CB-O 3.37Å; V2093-R2116 VanDerWaalsContact CG2-O 3.29Å; V2093-R2116 WeakPolarHBondContact CG2-O 3.37Å | ||
| 2094 | I | 92.4 | Very high | 87.3 | Confident | 3 Ų | 3 | 61.2 Ų | 61.2 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -65 | 124.8 | -177.9 | -60.8 | 169.7 | 0 | 0 | 0 | 110.3 | L1880 P2076 V2081 L2086 L2088 T2104 A2111 C2115 | L1880-I2094 HydrophobicContact CD1-CD1 4.29Å; P2076-I2094 HydrophobicContact CG-CG1 4.34Å; V2081-I2094 HydrophobicContact CG2-CG1 4.39Å; L2086-I2094 HydrophobicContact CD1-CD1 4.35Å; L2086-I2094 HydrophobicContact CD1-CG2 4.45Å; L2088-I2094 HydrophobicContact CD2-CG1 4.1Å; I2094-T2104 HydrophobicContact CG2-CG2 4.04Å; I2094-A2111 HydrophobicContact CB-CB 4.01Å; I2094-A2111 HydrophobicContact CD1-CB 4.12Å; I2094-A2111 HydrophobicContact CG2-CB 3.65Å; I2094-C2115 HydrophobicContact CD1-CB 4.23Å; I2094-C2115 PolarHBondContact N-O 3.33Å |
| 2095 | Q | 92.1 | Very high | 87.6 | Confident | 97 Ų | 97 | 65 Ų | 65 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | trans | -76.8 | 140.2 | 176.8 | -171.3 | 172.7 | 0 | 0 | 0 | 110.9 | S2087 T2089 V2093 | S2087-Q2095 WeakPolarHBondContact O-CB 3.49Å; S2087-Q2095 PolarHBondContact O-N 3.48Å; T2089-Q2095 HydrophobicContact CG2-CB 4.11Å; T2089-Q2095 HydrophobicContact CG2-CG 4.39Å; V2093-Q2095 PolarHBondContact O-N 3.3Å | ||
| 2096 | V | 92.3 | Very high | 87.7 | Confident | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | trans | -122.7 | 164.2 | 178.3 | -64.3 | 0 | 0 | 0 | 0 | 110.1 | T2103 A2111 R2116 | V2096-T2103 CarbonylContact C-O 3.58Å; V2096-T2103 VanDerWaalsContact CA-O 3.24Å; V2096-T2103 WeakPolarHBondContact CA-O 3.25Å; V2096-T2103 VanDerWaalsContact CB-O 3.26Å; V2096-T2103 WeakPolarHBondContact CB-O 3.39Å; V2096-A2111 HydrophobicContact CG1-CB 4.44Å; V2096-R2116 HydrophobicContact CG1-CG 3.98Å | ||
| 2097 | L | 89 | Confident | 87.7 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 29% | 0.293 | 36% | 0.361 | S | S | . | . | trans | -66.3 | 139.4 | 178.9 | -63.9 | 176.9 | 0 | 0 | 0 | 111.1 | D2099 K2100 T2103 H2105 | L2097-D2099 VanDerWaalsContact C-N 3.34Å; L2097-D2099 PolarHBondContact O-N 3.13Å; L2097-K2100 HydrophobicContact CB-CB 4.19Å; L2097-K2100 HydrophobicContact CD1-CB 4.4Å; L2097-K2100 CarbonylContact O-C 3.42Å; L2097-T2103 HydrophobicContact CD1-CG2 4.05Å; L2097-T2103 PolarHBondContact N-O 3.29Å; L2097-H2105 HydrophobicContact CD2-CB 4.4Å | ||
| 2098 | P | 76.1 | Confident | 87.8 | Confident | 133 Ų | 133 | 65.7 Ų | 65.7 | 86% | 0.864 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -64.5 | -35.2 | -178.7 | -20 | 31.4 | 0 | 0 | 0 | 113.9 | ||
| 2099 | D | 77.2 | Confident | 88.1 | Confident | 124 Ų | 124 | 62.5 Ų | 62.5 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -91.2 | -20.4 | -176.8 | 60.6 | -41.6 | 0 | 0 | 0 | 113.3 | L2097 | L2097-D2099 VanDerWaalsContact C-N 3.34Å; L2097-D2099 PolarHBondContact O-N 3.13Å |
| 2100 | K | 80.1 | Confident | 88.5 | Confident | 80 Ų | 80 | 61 Ų | 61 | 35% | 0.348 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -125 | 84.2 | 176.8 | -67.7 | -167 | 173.8 | -156.5 | 0 | 111.3 | L2097 Y2102 T2103 D2139 | L2097-K2100 HydrophobicContact CB-CB 4.19Å; L2097-K2100 HydrophobicContact CD1-CB 4.4Å; L2097-K2100 CarbonylContact O-C 3.42Å; K2100-Y2102 PolarHBondContact O-N 3.47Å; K2100-T2103 WeakPolarHBondContact O-CB 3.46Å; K2100-T2103 PolarHBondContact O-N 3.31Å; K2100-T2103 VanDerWaalsContact O-N 3.09Å; K2100-T2103 PolarHBondContact O-OG1 3.32Å; K2100-D2139 IonicContact NZ-OD1 2.71Å; K2100-D2139 PolarHBondContact NZ-OD1 3.04Å |
| 2101 | P | 77.3 | Confident | 89 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 43% | 0.429 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 142.9 | -179.7 | 21.5 | -30.7 | 0 | 0 | 0 | 110.9 | T2103 Q2135 | P2101-T2103 PolarHBondContact O-N 3.16Å; P2101-Q2135 WeakPolarHBondContact O-CG 3.44Å |
| 2102 | Y | 93.4 | Very high | 89.7 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | -14.7 | -174.1 | -45.6 | -75.9 | 0 | 0 | 0 | 116.6 | K2100 Y2110 A2111 A2112 E2128 L2131 A2132 | K2100-Y2102 PolarHBondContact O-N 3.47Å; Y2102-Y2110 CarbonylContact O-C 3.58Å; Y2102-Y2110 WeakPolarHBondContact O-CA 3.35Å; Y2102-Y2110 WeakPolarHBondContact O-CB 3.45Å; Y2102-A2111 PolarHBondContact O-N 3.16Å; Y2102-A2112 HydrophobicContact CD1-CB 4.21Å; Y2102-E2128 HydrophobicContact CE1-CB 4.01Å; Y2102-E2128 HydrophobicContact CE1-CG 4.04Å; Y2102-L2131 HydrophobicContact CD2-CB 4.26Å; Y2102-L2131 HydrophobicContact CE2-CB 3.4Å; Y2102-L2131 VanDerWaalsContact CE2-CB 3.4Å; Y2102-L2131 HydrophobicContact CE2-CD1 4.38Å; Y2102-L2131 WeakPolarHBondContact OH-CD1 3.42Å; Y2102-A2132 HydrophobicContact CD1-CB 4.18Å; Y2102-A2132 HydrophobicContact CG-CB 4.03Å |
| 2103 | T | 93.8 | Very high | 90 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 128.3 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 109.3 | V2096 L2097 K2100 P2101 Y2110 | V2096-T2103 CarbonylContact C-O 3.58Å; V2096-T2103 VanDerWaalsContact CA-O 3.24Å; V2096-T2103 WeakPolarHBondContact CA-O 3.25Å; V2096-T2103 VanDerWaalsContact CB-O 3.26Å; V2096-T2103 WeakPolarHBondContact CB-O 3.39Å; L2097-T2103 HydrophobicContact CD1-CG2 4.05Å; L2097-T2103 PolarHBondContact N-O 3.29Å; K2100-T2103 WeakPolarHBondContact O-CB 3.46Å; K2100-T2103 PolarHBondContact O-N 3.31Å; K2100-T2103 VanDerWaalsContact O-N 3.09Å; K2100-T2103 PolarHBondContact O-OG1 3.32Å; P2101-T2103 PolarHBondContact O-N 3.16Å; T2103-Y2110 HydrophobicContact CG2-CD1 4.44Å; T2103-Y2110 HydrophobicContact CG2-CE1 4.06Å; T2103-Y2110 WeakPolarHBondContact OG1-CE1 3.21Å |
| 2104 | T | 93.8 | Very high | 90 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | trans | -82.3 | 174.4 | 175.1 | 72.9 | 0 | 0 | 0 | 0 | 110.5 | L2086 I2094 I2106 V2109 A2111 | L2086-T2104 HydrophobicContact CD2-CG2 3.86Å; I2094-T2104 HydrophobicContact CG2-CG2 4.04Å; T2104-I2106 PolarHBondContact O-N 3.21Å; T2104-I2106 PolarHBondContact OG1-N 3.23Å; T2104-I2106 PolarHBondContact OG1-O 2.8Å; T2104-V2109 WeakPolarHBondContact CB-O 3.46Å; T2104-V2109 HydrophobicContact CG2-CG1 4.29Å; T2104-V2109 WeakPolarHBondContact CG2-O 3.36Å; T2104-V2109 PolarHBondContact N-O 3.15Å; T2104-V2109 PolarHBondContact OG1-O 3.1Å; T2104-A2111 HydrophobicContact CG2-CB 3.97Å | ||
| 2105 | H | 91.5 | Very high | 90 | Very high | 86 Ų | 86 | 47.1 Ų | 47.1 | 40% | 0.398 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -71.9 | -8.6 | 172.5 | 67.9 | -81.6 | 0 | 0 | 0 | 113.2 | E2085 S2087 L2097 | E2085-H2105 PolarHBondContact O-CE1 2.84Å; E2085-H2105 PolarHBondContact O-NE2 2.92Å; S2087-H2105 PolarHBondContact N-CE1 2.9Å; S2087-H2105 PolarHBondContact OG-CE1 2.83Å; L2097-H2105 HydrophobicContact CD2-CB 4.4Å |
| 2106 | I | 92 | Very high | 90 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 17% | 0.169 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -91.6 | 124.2 | 175.6 | -55 | -64.2 | 0 | 0 | 0 | 109.2 | F2084 L2086 T2104 V2109 | F2084-I2106 WeakPolarHBondContact O-CD1 3.26Å; F2084-I2106 WeakPolarHBondContact O-CG1 3.29Å; L2086-I2106 HydrophobicContact CD2-CB 4.4Å; L2086-I2106 HydrophobicContact CD2-CG1 3.8Å; T2104-I2106 PolarHBondContact O-N 3.21Å; T2104-I2106 PolarHBondContact OG1-N 3.23Å; T2104-I2106 PolarHBondContact OG1-O 2.8Å; I2106-V2109 HydrophobicContact CB-CB 4.12Å; I2106-V2109 HydrophobicContact CB-CG2 4.21Å; I2106-V2109 HydrophobicContact CG2-CB 4.2Å; I2106-V2109 HydrophobicContact CG2-CG2 3.72Å; I2106-V2109 PolarHBondContact O-N 2.72Å |
| 2107 | P | 89 | Confident | 89.8 | Confident | 104 Ų | 104 | 47.5 Ų | 47.5 | 68% | 0.675 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 144.6 | 177.9 | -25.6 | 34.2 | 0 | 0 | 0 | 112.4 | V2109 | P2107-V2109 PolarHBondContact O-N 3.28Å; P2107-V2109 VanDerWaalsContact O-N 3.09Å |
| 2108 | K | 93.2 | Very high | 89.7 | Confident | 93 Ų | 93 | 45.6 Ų | 45.6 | 40% | 0.404 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | -8.2 | -176.1 | -49.3 | 179.2 | 176.2 | -174.7 | 0 | 116.1 | L1872 D1876 A1877 I1878 Y2110 | L1872-K2108 PolarHBondContact O-NZ 3.41Å; D1876-K2108 WeakPolarHBondContact O-CG 3.48Å; A1877-K2108 WeakPolarHBondContact CA-O 3.35Å; I1878-K2108 PolarHBondContact N-O 3.39Å; K2108-Y2110 WeakPolarHBondContact O-CD2 3.48Å; K2108-Y2110 WeakPolarHBondContact O-CE2 3.49Å |
| 2109 | V | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 126.6 | -174.8 | -176.8 | 0 | 0 | 0 | 0 | 110.9 | L1872 I1878 L1880 F2084 L2086 T2104 I2106 P2107 | L1872-V2109 HydrophobicContact CD2-CG2 3.82Å; I1878-V2109 HydrophobicContact CD1-CG2 4.21Å; I1878-V2109 WeakPolarHBondContact O-CA 3.39Å; L1880-V2109 HydrophobicContact CD1-CG1 3.87Å; L1880-V2109 HydrophobicContact CG-CG1 4.14Å; F2084-V2109 HydrophobicContact CD1-CG2 3.97Å; F2084-V2109 HydrophobicContact CE1-CG2 3.93Å; L2086-V2109 HydrophobicContact CD2-CG1 4.42Å; T2104-V2109 WeakPolarHBondContact CB-O 3.46Å; T2104-V2109 HydrophobicContact CG2-CG1 4.29Å; T2104-V2109 WeakPolarHBondContact CG2-O 3.36Å; T2104-V2109 PolarHBondContact N-O 3.15Å; T2104-V2109 PolarHBondContact OG1-O 3.1Å; I2106-V2109 HydrophobicContact CB-CB 4.12Å; I2106-V2109 HydrophobicContact CB-CG2 4.21Å; I2106-V2109 HydrophobicContact CG2-CB 4.2Å; I2106-V2109 HydrophobicContact CG2-CG2 3.72Å; I2106-V2109 PolarHBondContact O-N 2.72Å; P2107-V2109 PolarHBondContact O-N 3.28Å; P2107-V2109 VanDerWaalsContact O-N 3.09Å |
| 2110 | Y | 97 | Very high | 90.6 | Very high | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 154.2 | -178.8 | -59.8 | -96.7 | 0 | 0 | 0 | 110.2 | A1877 I1878 L1880 Y2102 T2103 K2108 Q2135 V2136 D2139 | A1877-Y2110 HydrophobicContact CB-CD2 4.44Å; A1877-Y2110 HydrophobicContact CB-CE2 4.06Å; I1878-Y2110 PolarHBondContact O-N 3.31Å; L1880-Y2110 WeakPolarHBondContact CB-O 3.24Å; L1880-Y2110 WeakPolarHBondContact CG-O 3.45Å; L1880-Y2110 PolarHBondContact N-O 2.95Å; Y2102-Y2110 CarbonylContact O-C 3.58Å; Y2102-Y2110 WeakPolarHBondContact O-CA 3.35Å; Y2102-Y2110 WeakPolarHBondContact O-CB 3.45Å; T2103-Y2110 HydrophobicContact CG2-CD1 4.44Å; T2103-Y2110 HydrophobicContact CG2-CE1 4.06Å; T2103-Y2110 WeakPolarHBondContact OG1-CE1 3.21Å; K2108-Y2110 WeakPolarHBondContact O-CD2 3.48Å; K2108-Y2110 WeakPolarHBondContact O-CE2 3.49Å; Y2110-Q2135 HydrophobicContact CD1-CG 4.46Å; Y2110-Q2135 HydrophobicContact CE1-CG 4.06Å; Y2110-V2136 HydrophobicContact CD1-CG2 3.79Å; Y2110-V2136 HydrophobicContact CD2-CG2 3.61Å; Y2110-V2136 HydrophobicContact CE1-CG2 3.94Å; Y2110-V2136 HydrophobicContact CE2-CG2 3.78Å; Y2110-V2136 HydrophobicContact CG-CG2 3.62Å; Y2110-D2139 WeakPolarHBondContact CE1-OD2 3.35Å; Y2110-D2139 WeakPolarHBondContact OH-CB 3.26Å; Y2110-D2139 PolarHBondContact OH-OD2 3.36Å |
| 2111 | A | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 131.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I2094 V2096 Y2102 T2104 R2116 | I2094-A2111 HydrophobicContact CB-CB 4.01Å; I2094-A2111 HydrophobicContact CD1-CB 4.12Å; I2094-A2111 HydrophobicContact CG2-CB 3.65Å; V2096-A2111 HydrophobicContact CG1-CB 4.44Å; Y2102-A2111 PolarHBondContact O-N 3.16Å; T2104-A2111 HydrophobicContact CG2-CB 3.97Å; A2111-R2116 HydrophobicContact CB-CB 4.34Å; A2111-R2116 WeakPolarHBondContact O-CD 3.28Å |
| 2112 | A | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -149.6 | 151.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1879 L1880 Y2102 C2115 E2128 A2132 | V1879-A2112 HydrophobicContact CG1-CB 4.43Å; L1880-A2112 PolarHBondContact O-N 2.86Å; Y2102-A2112 HydrophobicContact CD1-CB 4.21Å; A2112-C2115 PolarHBondContact O-SG 2.77Å; A2112-C2115 VanDerWaalsContact O-SG 3.34Å; A2112-E2128 HydrophobicContact CB-CB 4.37Å; A2112-A2132 HydrophobicContact CB-CB 3.57Å | ||
| 2113 | G | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 83.1 | -157 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C2115 R2116 R2117 E2128 | G2113-C2115 PolarHBondContact O-N 2.79Å; G2113-R2116 PolarHBondContact O-N 2.77Å; G2113-R2117 PolarHBondContact O-N 2.99Å; G2113-E2128 WeakPolarHBondContact CA-OE2 3.42Å; G2113-E2128 PolarHBondContact N-OE2 3.01Å |
| 2114 | D | 91.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 36.4 Ų | 36.4 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -18.5 | -168.1 | -65.1 | 7.4 | 0 | 0 | 0 | 114.3 | A1884 R2116 G2118 S2120 | A1884-D2114 HydrophobicContact CB-CB 4.02Å; D2114-R2116 VanDerWaalsContact C-N 3.27Å; D2114-R2116 PolarHBondContact O-N 3.04Å; D2114-G2118 WeakPolarHBondContact CA-O 3.39Å; D2114-G2118 WeakPolarHBondContact CB-O 3.21Å; D2114-G2118 CarbonylContact O-C 3.58Å; D2114-G2118 WeakPolarHBondContact O-CA 3.48Å; D2114-G2118 PolarHBondContact O-N 3.31Å; D2114-S2120 PolarHBondContact OD2-N 2.94Å |
| 2115 | C | 91.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72 | -20.6 | 173.3 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | L1880 L1882 P2076 V2093 I2094 A2112 G2113 | L1880-C2115 PolarHBondContact O-SG 3.41Å; L1880-C2115 VanDerWaalsContact O-SG 3.32Å; L1882-C2115 HydrophobicContact CB-CB 4.03Å; P2076-C2115 HydrophobicContact CB-CB 3.67Å; P2076-C2115 HydrophobicContact CG-CB 3.96Å; V2093-C2115 WeakPolarHBondContact CA-O 3.45Å; V2093-C2115 WeakPolarHBondContact CB-O 3.23Å; I2094-C2115 HydrophobicContact CD1-CB 4.23Å; I2094-C2115 PolarHBondContact N-O 3.33Å; A2112-C2115 PolarHBondContact O-SG 2.77Å; A2112-C2115 VanDerWaalsContact O-SG 3.34Å; G2113-C2115 PolarHBondContact O-N 2.79Å |
| 2116 | R | 92.3 | Very high | 91.5 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 23% | 0.226 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -105.1 | -36.7 | 177.3 | -173.4 | -139.6 | 70.4 | 85.8 | -1.5 | 111.8 | V2093 V2096 A2111 G2113 D2114 E2128 | V2093-R2116 WeakPolarHBondContact CB-O 3.37Å; V2093-R2116 VanDerWaalsContact CG2-O 3.29Å; V2093-R2116 WeakPolarHBondContact CG2-O 3.37Å; V2096-R2116 HydrophobicContact CG1-CG 3.98Å; A2111-R2116 HydrophobicContact CB-CB 4.34Å; A2111-R2116 WeakPolarHBondContact O-CD 3.28Å; G2113-R2116 PolarHBondContact O-N 2.77Å; D2114-R2116 VanDerWaalsContact C-N 3.27Å; D2114-R2116 PolarHBondContact O-N 3.04Å; R2116-E2128 IonicContact CZ-OE1 2.71Å; R2116-E2128 IonicContact CZ-OE2 3.65Å; R2116-E2128 IonicContact NE-OE1 3.55Å; R2116-E2128 PolarHBondContact NE-OE1 3.22Å; R2116-E2128 IonicContact NE-OE2 3.98Å; R2116-E2128 PolarHBondContact NE-OE2 2.96Å; R2116-E2128 IonicContact NH2-OE1 3.68Å; R2116-E2128 PolarHBondContact NH2-OE1 3.43Å; R2116-E2128 IonicContact NH2-OE2 2.87Å |
| 2117 | R | 88.4 | Confident | 91.5 | Very high | 75 Ų | 75 | 31.8 Ų | 31.8 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -90 | -30.9 | -177 | -168.8 | -176 | 176.3 | 77 | 4.7 | 113.9 | Y1677 G2113 S2120 H2124 E2128 | Y1677-R2117 PolarHBondContact OH-NH1 3.24Å; Y1677-R2117 PolarHBondContact OH-NH2 2.79Å; G2113-R2117 PolarHBondContact O-N 2.99Å; R2117-S2120 PolarHBondContact NE-OG 3.28Å; R2117-H2124 PolarHBondContact NH2-CE1 2.79Å; R2117-H2124 PolarHBondContact NH2-ND1 2.69Å; R2117-E2128 WeakPolarHBondContact CB-OE1 3.27Å; R2117-E2128 VanDerWaalsContact CD-OE1 3.29Å; R2117-E2128 WeakPolarHBondContact CD-OE1 3.49Å; R2117-E2128 WeakPolarHBondContact CG-OE1 3.5Å; R2117-E2128 IonicContact NH1-OE1 3.5Å |
| 2118 | G | 87.6 | Confident | 91.6 | Very high | 17 Ų | 17 | 27 Ų | 27 | 18% | 0.175 | 13% | 0.133 | C | C | . | . | trans | 92 | 172.1 | -160.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2114 S2120 | D2114-G2118 WeakPolarHBondContact CA-O 3.39Å; D2114-G2118 WeakPolarHBondContact CB-O 3.21Å; D2114-G2118 CarbonylContact O-C 3.58Å; D2114-G2118 WeakPolarHBondContact O-CA 3.48Å; D2114-G2118 PolarHBondContact O-N 3.31Å; G2118-S2120 PolarHBondContact O-N 3.24Å | ||
| 2119 | Q | 84.6 | Confident | 91.7 | Very high | 110 Ų | 110 | 22.6 Ų | 22.6 | 51% | 0.514 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -53.3 | 123.8 | -178 | 62 | -177 | 3.7 | 0 | 0 | 112 | ||
| 2120 | S | 87 | Confident | 91.6 | Very high | 44 Ų | 44 | 23.1 Ų | 23.1 | 31% | 0.308 | 12% | 0.116 | S | C | . | . | trans | -149.8 | -172.9 | -175.1 | -148.7 | 0 | 0 | 0 | 0 | 113.1 | D2114 R2117 G2118 H2124 | D2114-S2120 PolarHBondContact OD2-N 2.94Å; R2117-S2120 PolarHBondContact NE-OG 3.28Å; G2118-S2120 PolarHBondContact O-N 3.24Å; S2120-H2124 PolarHBondContact OG-CD2 3.09Å; S2120-H2124 VanDerWaalsContact OG-CD2 3.22Å | ||
| 2121 | L | 88 | Confident | 91.3 | Very high | 52 Ų | 52 | 24 Ų | 24 | 27% | 0.272 | 12% | 0.121 | S | C | . | . | trans | -80.6 | 152.6 | -179 | -56.7 | 175.9 | 0 | 0 | 0 | 111.5 | P1720 P1722 V2123 H2124 A2125 | P1720-L2121 HydrophobicContact CG-CD1 3.69Å; P1720-L2121 HydrophobicContact CG-CD2 3.73Å; P1720-L2121 HydrophobicContact CG-CG 4.33Å; P1722-L2121 HydrophobicContact CG-CD1 4.33Å; L2121-V2123 HydrophobicContact CB-CG1 3.88Å; L2121-V2123 HydrophobicContact CD1-CG1 4.32Å; L2121-V2123 PolarHBondContact O-N 3.5Å; L2121-V2123 VanDerWaalsContact O-N 3.11Å; L2121-H2124 WeakPolarHBondContact O-CB 3.08Å; L2121-H2124 PolarHBondContact O-N 2.91Å; L2121-A2125 PolarHBondContact O-N 2.78Å; L2121-A2125 VanDerWaalsContact O-N 3.16Å | ||
| 2122 | V | 91.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 24 Ų | 24 | 11% | 0.109 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -48.8 | -41.6 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 112.1 | V1718 P1777 L1806 I1810 H2124 A2125 I2126 | V1718-V2122 HydrophobicContact CG2-CB 4.29Å; V1718-V2122 HydrophobicContact CG2-CG1 4.3Å; V1718-V2122 HydrophobicContact CG2-CG2 4.06Å; P1777-V2122 HydrophobicContact CB-CG1 4.05Å; P1777-V2122 HydrophobicContact CG-CG1 4Å; P1777-V2122 HydrophobicContact CG-CG2 4.36Å; L1806-V2122 HydrophobicContact CD2-CG1 4.11Å; L1806-V2122 HydrophobicContact CD2-CG2 4.18Å; I1810-V2122 HydrophobicContact CD1-CG2 4.14Å; V2122-H2124 VanDerWaalsContact C-N 3.35Å; V2122-H2124 PolarHBondContact O-N 3.12Å; V2122-A2125 PolarHBondContact O-N 3.42Å; V2122-I2126 HydrophobicContact CG1-CD1 3.97Å; V2122-I2126 HydrophobicContact CG1-CG1 4.44Å; V2122-I2126 WeakPolarHBondContact O-CG1 3.31Å; V2122-I2126 PolarHBondContact O-N 3.06Å |
| 2123 | V | 91.5 | Very high | 91.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -33.8 | 179.2 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | P1681 L1682 T1715 L2121 N2127 | P1681-V2123 HydrophobicContact CB-CG1 4.37Å; P1681-V2123 HydrophobicContact CB-CG2 4.28Å; P1681-V2123 HydrophobicContact CG-CG1 3.83Å; P1681-V2123 HydrophobicContact CG-CG2 4.39Å; L1682-V2123 HydrophobicContact CB-CG2 4.46Å; L1682-V2123 HydrophobicContact CD1-CG2 3.69Å; L1682-V2123 HydrophobicContact CG-CG2 3.7Å; T1715-V2123 HydrophobicContact CG2-CB 4.39Å; T1715-V2123 HydrophobicContact CG2-CG2 4.47Å; L2121-V2123 HydrophobicContact CB-CG1 3.88Å; L2121-V2123 HydrophobicContact CD1-CG1 4.32Å; L2121-V2123 PolarHBondContact O-N 3.5Å; L2121-V2123 VanDerWaalsContact O-N 3.11Å; V2123-N2127 PolarHBondContact O-N 2.78Å; V2123-N2127 VanDerWaalsContact O-N 3.13Å |
| 2124 | H | 91.1 | Very high | 91.1 | Very high | 23 Ų | 23 | 26 Ų | 26 | 11% | 0.106 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 173.6 | -77.9 | -70 | 0 | 0 | 0 | 111 | P1681 R2117 S2120 L2121 V2122 I2126 N2127 E2128 | P1681-H2124 WeakPolarHBondContact CB-ND1 3.4Å; P1681-H2124 WeakPolarHBondContact CG-CE1 3.38Å; P1681-H2124 WeakPolarHBondContact CG-NE2 3.14Å; R2117-H2124 PolarHBondContact NH2-CE1 2.79Å; R2117-H2124 PolarHBondContact NH2-ND1 2.69Å; S2120-H2124 PolarHBondContact OG-CD2 3.09Å; S2120-H2124 VanDerWaalsContact OG-CD2 3.22Å; L2121-H2124 WeakPolarHBondContact O-CB 3.08Å; L2121-H2124 PolarHBondContact O-N 2.91Å; V2122-H2124 VanDerWaalsContact C-N 3.35Å; V2122-H2124 PolarHBondContact O-N 3.12Å; H2124-I2126 PolarHBondContact O-N 3.36Å; H2124-N2127 PolarHBondContact O-N 3.11Å; H2124-E2128 PolarHBondContact O-N 2.88Å |
| 2125 | A | 93.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 5% | 0.05 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1777 S1778 L2121 V2122 N2127 E2128 G2129 | P1777-A2125 HydrophobicContact CB-CB 3.96Å; P1777-A2125 HydrophobicContact CG-CB 4.49Å; S1778-A2125 WeakPolarHBondContact CA-O 3.24Å; S1778-A2125 WeakPolarHBondContact CB-O 3.35Å; L2121-A2125 PolarHBondContact O-N 2.78Å; L2121-A2125 VanDerWaalsContact O-N 3.16Å; V2122-A2125 PolarHBondContact O-N 3.42Å; A2125-N2127 VanDerWaalsContact C-N 3.34Å; A2125-N2127 PolarHBondContact O-N 3.17Å; A2125-E2128 PolarHBondContact O-N 3.06Å; A2125-G2129 PolarHBondContact O-N 3.36Å |
| 2126 | I | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -46.8 | 174.2 | -63 | 168 | 0 | 0 | 0 | 110.1 | L1682 N1710 F1711 T1715 P1777 A1781 V2122 H2124 E2128 G2129 R2130 | L1682-I2126 HydrophobicContact CD1-CG2 4.28Å; L1682-I2126 HydrophobicContact CD2-CB 4.13Å; L1682-I2126 HydrophobicContact CD2-CG2 3.67Å; N1710-I2126 HydrophobicContact CB-CG2 4.45Å; F1711-I2126 HydrophobicContact CB-CD1 4.4Å; F1711-I2126 HydrophobicContact CD2-CD1 3.94Å; F1711-I2126 HydrophobicContact CD2-CG1 4.07Å; T1715-I2126 HydrophobicContact CG2-CD1 3.91Å; P1777-I2126 HydrophobicContact CB-CG1 3.97Å; A1781-I2126 HydrophobicContact CB-CB 4.27Å; A1781-I2126 HydrophobicContact CB-CG2 3.82Å; V2122-I2126 HydrophobicContact CG1-CD1 3.97Å; V2122-I2126 HydrophobicContact CG1-CG1 4.44Å; V2122-I2126 WeakPolarHBondContact O-CG1 3.31Å; V2122-I2126 PolarHBondContact O-N 3.06Å; H2124-I2126 PolarHBondContact O-N 3.36Å; I2126-E2128 PolarHBondContact O-N 2.73Å; I2126-G2129 PolarHBondContact O-N 2.85Å; I2126-R2130 WeakPolarHBondContact O-CG 3.43Å; I2126-R2130 PolarHBondContact O-N 3.1Å |
| 2127 | N | 91.4 | Very high | 91.2 | Very high | 19 Ų | 19 | 23 Ų | 23 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 179.2 | -175.7 | 54.7 | 0 | 0 | 0 | 112.4 | P1681 L1682 V2123 H2124 A2125 G2129 R2130 L2131 | P1681-N2127 PolarHBondContact O-ND2 3.25Å; P1681-N2127 PolarHBondContact O-OD1 3.46Å; L1682-N2127 HydrophobicContact CD2-CB 3.77Å; L1682-N2127 HydrophobicContact CG-CB 4.44Å; V2123-N2127 PolarHBondContact O-N 2.78Å; V2123-N2127 VanDerWaalsContact O-N 3.13Å; H2124-N2127 PolarHBondContact O-N 3.11Å; A2125-N2127 VanDerWaalsContact C-N 3.34Å; A2125-N2127 PolarHBondContact O-N 3.17Å; N2127-G2129 VanDerWaalsContact C-N 3.33Å; N2127-G2129 PolarHBondContact O-N 2.83Å; N2127-R2130 PolarHBondContact O-N 2.86Å; N2127-L2131 WeakPolarHBondContact O-CG 3.36Å; N2127-L2131 PolarHBondContact O-N 2.91Å |
| 2128 | E | 92.6 | Very high | 91.1 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 177.4 | -68.8 | -157.2 | -177.2 | 0 | 0 | 112.5 | Y2102 A2112 G2113 R2116 R2117 H2124 A2125 I2126 R2130 L2131 A2132 | Y2102-E2128 HydrophobicContact CE1-CB 4.01Å; Y2102-E2128 HydrophobicContact CE1-CG 4.04Å; A2112-E2128 HydrophobicContact CB-CB 4.37Å; G2113-E2128 WeakPolarHBondContact CA-OE2 3.42Å; G2113-E2128 PolarHBondContact N-OE2 3.01Å; R2116-E2128 IonicContact CZ-OE1 2.71Å; R2116-E2128 IonicContact CZ-OE2 3.65Å; R2116-E2128 IonicContact NE-OE1 3.55Å; R2116-E2128 PolarHBondContact NE-OE1 3.22Å; R2116-E2128 IonicContact NE-OE2 3.98Å; R2116-E2128 PolarHBondContact NE-OE2 2.96Å; R2116-E2128 IonicContact NH2-OE1 3.68Å; R2116-E2128 PolarHBondContact NH2-OE1 3.43Å; R2116-E2128 IonicContact NH2-OE2 2.87Å; R2117-E2128 WeakPolarHBondContact CB-OE1 3.27Å; R2117-E2128 VanDerWaalsContact CD-OE1 3.29Å; R2117-E2128 WeakPolarHBondContact CD-OE1 3.49Å; R2117-E2128 WeakPolarHBondContact CG-OE1 3.5Å; R2117-E2128 IonicContact NH1-OE1 3.5Å; H2124-E2128 PolarHBondContact O-N 2.88Å; A2125-E2128 PolarHBondContact O-N 3.06Å; I2126-E2128 PolarHBondContact O-N 2.73Å; E2128-R2130 VanDerWaalsContact C-N 3.34Å; E2128-R2130 PolarHBondContact O-N 3.36Å; E2128-L2131 PolarHBondContact O-N 2.89Å; E2128-A2132 VanDerWaalsContact O-CB 3.22Å; E2128-A2132 WeakPolarHBondContact O-CB 3.49Å; E2128-A2132 PolarHBondContact O-N 2.89Å |
| 2129 | G | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1778 C1782 A2125 I2126 N2127 A2133 | S1778-G2129 WeakPolarHBondContact O-CA 3.43Å; C1782-G2129 WeakPolarHBondContact CA-O 3.48Å; C1782-G2129 VanDerWaalsContact CB-O 3.31Å; C1782-G2129 WeakPolarHBondContact CB-O 3.49Å; A2125-G2129 PolarHBondContact O-N 3.36Å; I2126-G2129 PolarHBondContact O-N 2.85Å; N2127-G2129 VanDerWaalsContact C-N 3.33Å; N2127-G2129 PolarHBondContact O-N 2.83Å; G2129-A2133 WeakPolarHBondContact O-CB 3.16Å; G2129-A2133 PolarHBondContact O-N 2.89Å |
| 2130 | R | 92.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 20 Ų | 20 | 5% | 0.045 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.7 | -46.6 | 176.6 | -66.7 | 174.9 | 69.3 | 100.2 | -5.4 | 112.4 | Q1707 T1708 N1710 A1781 Q1785 I2126 N2127 E2128 A2133 R2134 | Q1707-R2130 PolarHBondContact O-NH2 3.31Å; T1708-R2130 VanDerWaalsContact O-CZ 3.25Å; T1708-R2130 PolarHBondContact O-NE 3.4Å; T1708-R2130 PolarHBondContact O-NH1 2.76Å; N1710-R2130 WeakPolarHBondContact OD1-CD 3.48Å; N1710-R2130 WeakPolarHBondContact OD1-CG 3.39Å; N1710-R2130 PolarHBondContact OD1-NH1 3.48Å; A1781-R2130 HydrophobicContact CB-CG 4.42Å; Q1785-R2130 HydrophobicContact CG-CB 4.35Å; Q1785-R2130 HydrophobicContact CG-CG 3.98Å; I2126-R2130 WeakPolarHBondContact O-CG 3.43Å; I2126-R2130 PolarHBondContact O-N 3.1Å; N2127-R2130 PolarHBondContact O-N 2.86Å; E2128-R2130 VanDerWaalsContact C-N 3.34Å; E2128-R2130 PolarHBondContact O-N 3.36Å; R2130-A2133 WeakPolarHBondContact O-CB 3.19Å; R2130-A2133 PolarHBondContact O-N 2.86Å; R2130-R2134 PolarHBondContact O-N 3.26Å |
| 2131 | L | 90.9 | Very high | 91.5 | Very high | 29 Ų | 29 | 21.8 Ų | 21.8 | 15% | 0.152 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.8 | -34.8 | -177.7 | -66.8 | 175.2 | 0 | 0 | 0 | 111.9 | Y2102 N2127 E2128 R2134 Q2135 P2149 | Y2102-L2131 HydrophobicContact CD2-CB 4.26Å; Y2102-L2131 HydrophobicContact CE2-CB 3.4Å; Y2102-L2131 VanDerWaalsContact CE2-CB 3.4Å; Y2102-L2131 HydrophobicContact CE2-CD1 4.38Å; Y2102-L2131 WeakPolarHBondContact OH-CD1 3.42Å; N2127-L2131 WeakPolarHBondContact O-CG 3.36Å; N2127-L2131 PolarHBondContact O-N 2.91Å; E2128-L2131 PolarHBondContact O-N 2.89Å; L2131-R2134 PolarHBondContact O-N 3.37Å; L2131-Q2135 PolarHBondContact O-N 3.4Å; L2131-P2149 HydrophobicContact CD2-CG 4.24Å |
| 2132 | A | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1879 Y2102 A2112 E2128 R2134 Q2135 V2136 | V1879-A2132 HydrophobicContact CG1-CB 4.34Å; Y2102-A2132 HydrophobicContact CD1-CB 4.18Å; Y2102-A2132 HydrophobicContact CG-CB 4.03Å; A2112-A2132 HydrophobicContact CB-CB 3.57Å; E2128-A2132 VanDerWaalsContact O-CB 3.22Å; E2128-A2132 WeakPolarHBondContact O-CB 3.49Å; E2128-A2132 PolarHBondContact O-N 2.89Å; A2132-R2134 VanDerWaalsContact C-N 3.29Å; A2132-R2134 PolarHBondContact O-N 2.84Å; A2132-Q2135 PolarHBondContact O-N 2.95Å; A2132-Q2135 VanDerWaalsContact O-N 3.16Å; A2132-V2136 PolarHBondContact O-N 3.07Å; A2132-V2136 WeakPolarHBondContact O-CG2 3.33Å; A2132-V2136 VanDerWaalsContact O-CG2 3.24Å |
| 2133 | A | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.7 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1785 L1786 G2129 R2130 V2136 D2137 L2146 | Q1785-A2133 HydrophobicContact CB-CB 3.61Å; Q1785-A2133 HydrophobicContact CG-CB 4.49Å; L1786-A2133 HydrophobicContact CD1-CB 4.35Å; L1786-A2133 HydrophobicContact CD2-CB 4.07Å; L1786-A2133 WeakPolarHBondContact CD2-O 3.41Å; L1786-A2133 HydrophobicContact CG-CB 3.7Å; G2129-A2133 WeakPolarHBondContact O-CB 3.16Å; G2129-A2133 PolarHBondContact O-N 2.89Å; R2130-A2133 WeakPolarHBondContact O-CB 3.19Å; R2130-A2133 PolarHBondContact O-N 2.86Å; A2133-V2136 PolarHBondContact O-N 3.49Å; A2133-D2137 WeakPolarHBondContact O-CB 3.39Å; A2133-D2137 PolarHBondContact O-N 3.38Å; A2133-L2146 HydrophobicContact CB-CD1 4.12Å |
| 2134 | R | 90.5 | Very high | 89.8 | Confident | 44 Ų | 44 | 26.1 Ų | 26.1 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 176.1 | -176.9 | 176.7 | 172.4 | -87.9 | 4.5 | 112.6 | R2130 L2131 A2132 L2138 T2144 L2146 N2157 | R2130-R2134 PolarHBondContact O-N 3.26Å; L2131-R2134 PolarHBondContact O-N 3.37Å; A2132-R2134 VanDerWaalsContact C-N 3.29Å; A2132-R2134 PolarHBondContact O-N 2.84Å; R2134-L2138 VanDerWaalsContact O-CB 3.29Å; R2134-L2138 WeakPolarHBondContact O-CB 3.32Å; R2134-L2138 PolarHBondContact O-N 3.23Å; R2134-T2144 HydrophobicContact CG-CG2 3.87Å; R2134-L2146 HydrophobicContact CB-CB 4.11Å; R2134-L2146 HydrophobicContact CG-CB 4.19Å; R2134-L2146 HydrophobicContact CB-CD1 4.46Å; R2134-N2157 PolarHBondContact NH2-ND2 3.24Å |
| 2135 | Q | 91.6 | Very high | 88.9 | Confident | 21 Ų | 21 | 26.7 Ų | 26.7 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 177.9 | -175.3 | 61 | 47.1 | 0 | 0 | 111.5 | P2101 Y2110 L2131 A2132 L2138 D2139 | P2101-Q2135 WeakPolarHBondContact O-CG 3.44Å; Y2110-Q2135 HydrophobicContact CD1-CG 4.46Å; Y2110-Q2135 HydrophobicContact CE1-CG 4.06Å; L2131-Q2135 PolarHBondContact O-N 3.4Å; A2132-Q2135 PolarHBondContact O-N 2.95Å; A2132-Q2135 VanDerWaalsContact O-N 3.16Å; Q2135-L2138 PolarHBondContact O-N 3.5Å; Q2135-D2139 VanDerWaalsContact NE2-CG 3.33Å; Q2135-D2139 PolarHBondContact NE2-OD1 3.14Å; Q2135-D2139 PolarHBondContact NE2-OD2 2.74Å; Q2135-D2139 PolarHBondContact O-N 3.12Å |
| 2136 | V | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | I1770 L1786 A1877 V1879 Y2110 A2132 A2133 L2138 D2139 L2140 | I1770-V2136 HydrophobicContact CD1-CG1 3.74Å; L1786-V2136 HydrophobicContact CD2-CB 4.26Å; L1786-V2136 HydrophobicContact CD2-CG1 4.14Å; A1877-V2136 HydrophobicContact CB-CG1 3.69Å; V1879-V2136 HydrophobicContact CG2-CG2 3.81Å; Y2110-V2136 HydrophobicContact CD1-CG2 3.79Å; Y2110-V2136 HydrophobicContact CD2-CG2 3.61Å; Y2110-V2136 HydrophobicContact CE1-CG2 3.94Å; Y2110-V2136 HydrophobicContact CE2-CG2 3.78Å; Y2110-V2136 HydrophobicContact CG-CG2 3.62Å; A2132-V2136 PolarHBondContact O-N 3.07Å; A2132-V2136 WeakPolarHBondContact O-CG2 3.33Å; A2132-V2136 VanDerWaalsContact O-CG2 3.24Å; A2133-V2136 PolarHBondContact O-N 3.49Å; V2136-L2138 VanDerWaalsContact C-N 3.32Å; V2136-L2138 PolarHBondContact O-N 2.95Å; V2136-D2139 PolarHBondContact O-N 3.38Å; V2136-L2140 HydrophobicContact CG1-CD1 3.79Å; V2136-L2140 HydrophobicContact CG1-CG 4.33Å; V2136-L2140 WeakPolarHBondContact O-CB 3.5Å; V2136-L2140 WeakPolarHBondContact O-CG 3.21Å; V2136-L2140 PolarHBondContact O-N 3.47Å |
| 2137 | D | 91.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 177.6 | -174 | 51.1 | 0 | 0 | 0 | 111.3 | L1786 H1791 A2133 L2140 M2141 T2144 L2146 | L1786-D2137 HydrophobicContact CD2-CB 4.35Å; H1791-D2137 IonicContact CD2-OD1 3.26Å; H1791-D2137 IonicContact CE1-OD1 3.3Å; H1791-D2137 IonicContact NE2-OD1 3.38Å; H1791-D2137 PolarHBondContact NE2-OD1 2.94Å; A2133-D2137 WeakPolarHBondContact O-CB 3.39Å; A2133-D2137 PolarHBondContact O-N 3.38Å; D2137-L2140 PolarHBondContact O-N 2.98Å; D2137-M2141 WeakPolarHBondContact OD1-CG 3.5Å; D2137-M2141 PolarHBondContact O-N 3.37Å; D2137-M2141 WeakPolarHBondContact O-CB 3.4Å; D2137-M2141 VanDerWaalsContact O-CB 3.25Å; D2137-M2141 WeakPolarHBondContact O-CG 3.43Å; D2137-T2144 VanDerWaalsContact OD2-CA 3.31Å; D2137-T2144 WeakPolarHBondContact OD2-CA 3.22Å; D2137-T2144 WeakPolarHBondContact OD2-CB 3.42Å; D2137-T2144 PolarHBondContact OD2-OG1 3.43Å; D2137-L2146 HydrophobicContact CB-CD1 3.98Å |
| 2138 | L | 87.7 | Confident | 86.6 | Confident | 42 Ų | 42 | 26.7 Ų | 26.7 | 22% | 0.22 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.4 | -176.5 | 65.5 | 0 | 0 | 0 | 112.7 | R2134 Q2135 V2136 G2142 T2144 | R2134-L2138 VanDerWaalsContact O-CB 3.29Å; R2134-L2138 WeakPolarHBondContact O-CB 3.32Å; R2134-L2138 PolarHBondContact O-N 3.23Å; Q2135-L2138 PolarHBondContact O-N 3.5Å; V2136-L2138 VanDerWaalsContact C-N 3.32Å; V2136-L2138 PolarHBondContact O-N 2.95Å; L2138-G2142 PolarHBondContact O-N 3.25Å; L2138-G2142 WeakPolarHBondContact O-CA 3.36Å; L2138-G2142 CarbonylContact O-C 3.56Å; L2138-T2144 HydrophobicContact CB-CG2 4.12Å; L2138-T2144 HydrophobicContact CD1-CG2 4.13Å |
| 2139 | D | 90.3 | Very high | 85.7 | Confident | 53 Ų | 53 | 29 Ų | 29 | 28% | 0.283 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.8 | -34.9 | 179.3 | -75.7 | -40.5 | 0 | 0 | 0 | 112.3 | K2100 Y2110 Q2135 V2136 | K2100-D2139 IonicContact NZ-OD1 2.71Å; K2100-D2139 PolarHBondContact NZ-OD1 3.04Å; Y2110-D2139 WeakPolarHBondContact CE1-OD2 3.35Å; Y2110-D2139 WeakPolarHBondContact OH-CB 3.26Å; Y2110-D2139 PolarHBondContact OH-OD2 3.36Å; Q2135-D2139 VanDerWaalsContact NE2-CG 3.33Å; Q2135-D2139 PolarHBondContact NE2-OD1 3.14Å; Q2135-D2139 PolarHBondContact NE2-OD2 2.74Å; Q2135-D2139 PolarHBondContact O-N 3.12Å; V2136-D2139 PolarHBondContact O-N 3.38Å |
| 2140 | L | 90.5 | Very high | 84.7 | Confident | 44 Ų | 44 | 29 Ų | 29 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80 | -37.8 | -179.2 | -71 | 179.5 | 0 | 0 | 0 | 113.4 | K1768 I1770 D1876 A1877 V2136 D2137 | K1768-L2140 HydrophobicContact CB-CD1 4.28Å; K1768-L2140 HydrophobicContact CG-CD1 4.43Å; I1770-L2140 HydrophobicContact CD1-CD1 3.97Å; I1770-L2140 HydrophobicContact CG1-CD1 4.29Å; D1876-L2140 HydrophobicContact CB-CD2 4.17Å; A1877-L2140 HydrophobicContact CB-CD1 4.01Å; V2136-L2140 HydrophobicContact CG1-CD1 3.79Å; V2136-L2140 HydrophobicContact CG1-CG 4.33Å; V2136-L2140 WeakPolarHBondContact O-CB 3.5Å; V2136-L2140 WeakPolarHBondContact O-CG 3.21Å; V2136-L2140 PolarHBondContact O-N 3.47Å; D2137-L2140 PolarHBondContact O-N 2.98Å |
| 2141 | M | 86.5 | Confident | 83.8 | Confident | 81 Ų | 81 | 29 Ų | 29 | 40% | 0.399 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -105.4 | -10.8 | -171.5 | -56.6 | -56.8 | -64.5 | 0 | 0 | 113 | T1766 K1768 D2137 K2143 | T1766-M2141 HydrophobicContact CG2-CE 4.42Å; K1768-M2141 HydrophobicContact CG-SD 4.18Å; D2137-M2141 WeakPolarHBondContact OD1-CG 3.5Å; D2137-M2141 PolarHBondContact O-N 3.37Å; D2137-M2141 WeakPolarHBondContact O-CB 3.4Å; D2137-M2141 VanDerWaalsContact O-CB 3.25Å; D2137-M2141 WeakPolarHBondContact O-CG 3.43Å; M2141-K2143 WeakPolarHBondContact CB-O 3.39Å; M2141-K2143 PolarHBondContact O-N 3.04Å; M2141-K2143 VanDerWaalsContact O-N 3.11Å |
| 2142 | G | 81.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 27.9 Ų | 27.9 | 66% | 0.66 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 73.8 | -13.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | L2138 | L2138-G2142 PolarHBondContact O-N 3.25Å; L2138-G2142 WeakPolarHBondContact O-CA 3.36Å; L2138-G2142 CarbonylContact O-C 3.56Å |
| 2143 | K | 75.2 | Confident | 81.7 | Confident | 97 Ų | 97 | 29 Ų | 29 | 42% | 0.422 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -144 | 158.2 | 178.5 | 57.8 | -179.4 | 178.1 | -171.6 | 0 | 110 | M2141 N2157 | M2141-K2143 WeakPolarHBondContact CB-O 3.39Å; M2141-K2143 PolarHBondContact O-N 3.04Å; M2141-K2143 VanDerWaalsContact O-N 3.11Å; K2143-N2157 WeakPolarHBondContact CB-O 3.14Å |
| 2144 | T | 78.2 | Confident | 80.3 | Confident | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | trans | -145 | 136.6 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | R2134 D2137 L2138 L2146 N2157 | R2134-T2144 HydrophobicContact CG-CG2 3.87Å; D2137-T2144 VanDerWaalsContact OD2-CA 3.31Å; D2137-T2144 WeakPolarHBondContact OD2-CA 3.22Å; D2137-T2144 WeakPolarHBondContact OD2-CB 3.42Å; D2137-T2144 PolarHBondContact OD2-OG1 3.43Å; L2138-T2144 HydrophobicContact CB-CG2 4.12Å; L2138-T2144 HydrophobicContact CD1-CG2 4.13Å; T2144-L2146 PolarHBondContact OG1-N 3.22Å; T2144-L2146 VanDerWaalsContact OG1-N 3.14Å; T2144-N2157 PolarHBondContact N-O 2.9Å; T2144-N2157 WeakPolarHBondContact CG2-ND2 3.46Å; T2144-N2157 HydrophobicContact CG2-CB 4.17Å; T2144-N2157 VanDerWaalsContact CG2-ND2 3.35Å | ||
| 2145 | Q | 72.2 | Confident | 78.7 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | trans | -95.4 | -0.2 | 171 | -67.2 | -173.8 | -2.4 | 0 | 0 | 112.4 | T834 T837 I2153 L2158 | T834-Q2145 PolarHBondContact OG1-OE1 2.72Å; T837-Q2145 PolarHBondContact OG1-OE1 3.04Å; Q2145-I2153 WeakPolarHBondContact O-CD1 3.32Å; Q2145-L2158 HydrophobicContact CG-CD2 4.12Å | ||
| 2146 | L | 78.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -69.9 | 130.5 | 180 | -67.5 | 177.2 | 0 | 0 | 0 | 110.5 | Q1785 V1789 A2133 R2134 D2137 T2144 | Q1785-L2146 HydrophobicContact CB-CD1 4.3Å; Q1785-L2146 HydrophobicContact CB-CD2 4.15Å; V1789-L2146 HydrophobicContact CG1-CD1 4.46Å; V1789-L2146 HydrophobicContact CG1-CD2 3.49Å; V1789-L2146 VanDerWaalsContact CG1-CD2 3.49Å; V1789-L2146 HydrophobicContact CG1-CG 3.71Å; V1789-L2146 HydrophobicContact CG2-CD1 4.25Å; V1789-L2146 HydrophobicContact CG2-CD2 4.35Å; V1789-L2146 HydrophobicContact CG2-CG 4.38Å; A2133-L2146 HydrophobicContact CB-CD1 4.12Å; R2134-L2146 HydrophobicContact CB-CB 4.11Å; R2134-L2146 HydrophobicContact CG-CB 4.19Å; R2134-L2146 HydrophobicContact CB-CD1 4.46Å; D2137-L2146 HydrophobicContact CB-CD1 3.98Å; T2144-L2146 PolarHBondContact OG1-N 3.22Å; T2144-L2146 VanDerWaalsContact OG1-N 3.14Å |
| 2147 | P | 73.7 | Confident | 74.8 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | trans | -64.7 | 137 | -179.2 | 25.4 | -33.3 | 0 | 0 | 0 | 111.3 | G2151 I2153 | P2147-G2151 WeakPolarHBondContact CB-O 3.28Å; P2147-I2153 HydrophobicContact CB-CG1 4.16Å | ||
| 2148 | G | 75.7 | Confident | 72.7 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | trans | -79.2 | -163.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | G2150 G2151 I2152 | G2148-G2150 PolarHBondContact O-N 3.08Å; G2148-G2151 PolarHBondContact O-N 3.16Å; G2148-G2151 VanDerWaalsContact O-N 3.11Å; G2148-I2152 WeakPolarHBondContact CA-O 3.44Å; G2148-I2152 PolarHBondContact N-O 3.24Å | ||
| 2149 | P | 73.7 | Confident | 70.4 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 33% | 0.331 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -50.2 | 136.9 | 172.9 | -25.7 | 34.8 | 0 | 0 | 0 | 111.6 | L857 L2131 G2151 | L857-P2149 HydrophobicContact CD2-CB 3.91Å; L857-P2149 HydrophobicContact CG-CB 3.88Å; L857-P2149 VanDerWaalsContact O-O 3.11Å; L2131-P2149 HydrophobicContact CD2-CG 4.24Å; P2149-G2151 PolarHBondContact O-N 3.27Å |
| 2150 | G | 73.9 | Confident | 69.4 | Low | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | 70.7 | 9.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L857 G1683 L1685 T1708 G2148 | L857-G2150 WeakPolarHBondContact O-CA 3.49Å; G1683-G2150 WeakPolarHBondContact O-CA 3.15Å; L1685-G2150 WeakPolarHBondContact CD2-O 3.38Å; T1708-G2150 VanDerWaalsContact CG2-C 3.49Å; G2148-G2150 PolarHBondContact O-N 3.08Å |
| 2151 | G | 73.6 | Confident | 68.3 | Low | 10 Ų | 10 | 41.5 Ų | 41.5 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | 87.8 | 5.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P2147 G2148 P2149 | P2147-G2151 WeakPolarHBondContact CB-O 3.28Å; G2148-G2151 PolarHBondContact O-N 3.16Å; G2148-G2151 VanDerWaalsContact O-N 3.11Å; P2149-G2151 PolarHBondContact O-N 3.27Å |
| 2152 | I | 72.6 | Confident | 67.3 | Low | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.036 | 22% | 0.221 | C | C | . | . | trans | -90 | 128.8 | -170.3 | -63.2 | 178.4 | 0 | 0 | 0 | 110.9 | G858 G859 G2148 | G858-I2152 WeakPolarHBondContact O-CG2 3.22Å; G859-I2152 VanDerWaalsContact N-CD1 3.28Å; G2148-I2152 WeakPolarHBondContact CA-O 3.44Å; G2148-I2152 PolarHBondContact N-O 3.24Å | ||
| 2153 | I | 70.1 | Confident | 66.4 | Low | 22 Ų | 22 | 37.8 Ų | 37.8 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | trans | -93.2 | 110.6 | 173.6 | -58.5 | 169.7 | 0 | 0 | 0 | 107.6 | L840 Q2145 P2147 T2155 | L840-I2153 HydrophobicContact CD1-CD1 3.71Å; L840-I2153 HydrophobicContact CD2-CD1 4.03Å; Q2145-I2153 WeakPolarHBondContact O-CD1 3.32Å; P2147-I2153 HydrophobicContact CB-CG1 4.16Å; I2153-T2155 PolarHBondContact O-N 2.94Å | ||
| 2154 | K | 64.6 | Low | 65.8 | Low | 82 Ų | 82 | 34.1 Ų | 34.1 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | trans | -66.8 | 126.7 | 176.7 | -74.4 | -159.4 | 173.8 | -159 | 0 | 110.1 | E526 A2156 N2157 | E526-K2154 IonicContact OE2-NZ 3.69Å; E526-K2154 PolarHBondContact OE2-NZ 3.24Å; E526-K2154 VanDerWaalsContact OE2-NZ 3.1Å; K2154-A2156 VanDerWaalsContact C-N 3.27Å; K2154-A2156 PolarHBondContact O-N 3.3Å; K2154-N2157 WeakPolarHBondContact O-CB 3.37Å; K2154-N2157 PolarHBondContact O-N 2.86Å; K2154-N2157 VanDerWaalsContact O-N 3.09Å | ||
| 2155 | T | 57.1 | Low | 65 | Low | 17 Ų | 17 | 36.2 Ų | 36.2 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -61.8 | -29.5 | 179.4 | 32.4 | 0 | 0 | 0 | 0 | 114.1 | N528 S823 I2153 N2157 L2158 | N528-T2155 VanDerWaalsContact ND2-CG2 3.31Å; N528-T2155 WeakPolarHBondContact ND2-CG2 3.49Å; S823-T2155 WeakPolarHBondContact OG-CB 3.43Å; S823-T2155 VanDerWaalsContact OG-CG2 3.27Å; S823-T2155 WeakPolarHBondContact OG-CG2 3.37Å; I2153-T2155 PolarHBondContact O-N 2.94Å; T2155-N2157 PolarHBondContact O-N 3.4Å; T2155-L2158 PolarHBondContact O-N 3.47Å |
| 2156 | A | 54.1 | Low | 64.5 | Low | 59 Ų | 59 | 36.3 Ų | 36.3 | 49% | 0.488 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -59.2 | -25.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K2154 L2158 R2159 | K2154-A2156 VanDerWaalsContact C-N 3.27Å; K2154-A2156 PolarHBondContact O-N 3.3Å; A2156-L2158 VanDerWaalsContact C-N 3.32Å; A2156-R2159 WeakPolarHBondContact O-CG 3.49Å |
| 2157 | N | 50.4 | Low | 63.4 | Low | 31 Ų | 31 | 38.9 Ų | 38.9 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -86 | -2 | 179.2 | -70.4 | 11 | 0 | 0 | 0 | 113.5 | R2134 K2143 T2144 K2154 T2155 R2159 | R2134-N2157 PolarHBondContact NH2-ND2 3.24Å; K2143-N2157 WeakPolarHBondContact CB-O 3.14Å; T2144-N2157 PolarHBondContact N-O 2.9Å; T2144-N2157 WeakPolarHBondContact CG2-ND2 3.46Å; T2144-N2157 HydrophobicContact CG2-CB 4.17Å; T2144-N2157 VanDerWaalsContact CG2-ND2 3.35Å; K2154-N2157 WeakPolarHBondContact O-CB 3.37Å; K2154-N2157 PolarHBondContact O-N 2.86Å; K2154-N2157 VanDerWaalsContact O-N 3.09Å; T2155-N2157 PolarHBondContact O-N 3.4Å; N2157-R2159 VanDerWaalsContact C-N 3.34Å |
| 2158 | L | 47.1 | Very low | 62.5 | Low | 27 Ų | 27 | 40.8 Ų | 40.8 | 14% | 0.141 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -95.4 | 7.6 | 174 | -62.4 | 171.6 | 0 | 0 | 0 | 112 | R826 L827 Q2145 T2155 A2156 | R826-L2158 PolarHBondContact NH1-O 2.62Å; L827-L2158 HydrophobicContact CB-CD1 4.48Å; L827-L2158 HydrophobicContact CD1-CD1 3.91Å; Q2145-L2158 HydrophobicContact CG-CD2 4.12Å; T2155-L2158 PolarHBondContact O-N 3.47Å; A2156-L2158 VanDerWaalsContact C-N 3.32Å |
| 2159 | R | 37.8 | Very low | 61.3 | Low | 175 Ų | 175 | 43.9 Ų | 43.9 | 66% | 0.66 | 23% | 0.229 | S | C | * | . | trans | -66.3 | 0 | -176.3 | -82.2 | -168.9 | -176.8 | -179.9 | 10.2 | 113.2 | R819 R826 A2156 N2157 | R819-R2159 VanDerWaalsContact NE-NH2 3.13Å; R826-R2159 PolarHBondContact NH1-OXT 3.34Å; A2156-R2159 WeakPolarHBondContact O-CG 3.49Å; N2157-R2159 VanDerWaalsContact C-N 3.34Å |
Retrieved 2,159 of 2,159 residues in 2638 ms
(Link to these results)