| 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 | 54.4 | Low | 80.1 | Confident | 231 Ų | 231 | 89.1 Ų | 89.1 | 100% | 1.138 | 46% | 0.457 | S | S | * | . | 0 | 135.3 | 0 | -84.2 | 176.9 | 160.9 | 0 | 0 | 108.1 | |||||
| 2 | P | 61.7 | Low | 81.1 | Confident | 86 Ų | 86 | 83.6 Ų | 83.6 | 56% | 0.558 | 43% | 0.428 | S | S | * | . | trans | -62.8 | 138.6 | -179.2 | 25.4 | -31.9 | 0 | 0 | 0 | 110.5 | V4 A139 | P2-V4 VanDerWaalsContact C-N 3.34Å; P2-A139 HydrophobicContact CB-CB 4.07Å | ||
| 3 | R | 73.6 | Confident | 82 | Confident | 147 Ų | 147 | 85 Ų | 85 | 56% | 0.555 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -80.8 | -18.6 | -179.5 | -64.1 | 177.4 | 71.9 | -167.2 | 8 | 112.6 | I102 E135 | R3-I102 HydrophobicContact CB-CD1 4.43Å; R3-E135 IonicContact NH1-OE1 2.65Å; R3-E135 IonicContact NH1-OE2 3.95Å |
| 4 | V | 82.6 | Confident | 82.7 | Confident | 10 Ų | 10 | 86.8 Ų | 86.8 | 6% | 0.061 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -121.7 | 153.2 | -175.9 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | P2 Q8 I102 G105 E135 D136 A139 | P2-V4 VanDerWaalsContact C-N 3.34Å; V4-Q8 HydrophobicContact CB-CG 4.49Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.26Å; V4-G105 CarbonylContact C-O 3.57Å; V4-G105 VanDerWaalsContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CB-O 3.46Å; V4-E135 HydrophobicContact CG1-CB 3.75Å; V4-E135 HydrophobicContact CG1-CG 4.45Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; V4-D136 WeakPolarHBondContact CG2-OD1 3.17Å; V4-A139 HydrophobicContact CG2-CB 3.91Å |
| 5 | V | 82.1 | Confident | 83.4 | Confident | 40 Ų | 40 | 85.8 Ų | 85.8 | 24% | 0.242 | 44% | 0.436 | C | S | . | . | trans | -88.4 | 154.1 | 175.4 | -66.4 | 0 | 0 | 0 | 0 | 111.1 | Q8 K11 G105 V106 | V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 2.95Å; V5-K11 HydrophobicContact CG2-CD 3.66Å; V5-G105 WeakPolarHBondContact CG2-O 2.99Å; V5-G105 PolarHBondContact N-O 2.64Å; V5-V106 HydrophobicContact CG2-CG2 4.22Å | ||
| 6 | P | 78.3 | Confident | 83.8 | Confident | 110 Ų | 110 | 88.1 Ų | 88.1 | 71% | 0.714 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 150.6 | 165.2 | -20.5 | 32.8 | 0 | 0 | 0 | 111.6 | Q8 | P6-Q8 VanDerWaalsContact C-N 3.34Å; P6-Q8 PolarHBondContact O-N 3.4Å |
| 7 | D | 85.1 | Confident | 84.3 | Confident | 129 Ų | 129 | 86.9 Ų | 86.9 | 69% | 0.69 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 45.1 | 175.8 | -58.6 | -47.5 | 0 | 0 | 0 | 114 | R9 S10 K11 | D7-R9 PolarHBondContact O-N 3.5Å; D7-R9 VanDerWaalsContact O-N 3.11Å; D7-S10 WeakPolarHBondContact O-CB 3.26Å; D7-S10 PolarHBondContact O-N 3.02Å; D7-K11 PolarHBondContact O-N 3.19Å; D7-K11 VanDerWaalsContact O-N 3.14Å |
| 8 | Q | 89.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -48.6 | -42.5 | -176.8 | -59.6 | -173.3 | 47.7 | 0 | 0 | 113.2 | V4 V5 P6 K11 F12 V106 C107 Y127 A132 D136 | V4-Q8 HydrophobicContact CB-CG 4.49Å; V5-Q8 HydrophobicContact CG2-CG 4.26Å; V5-Q8 WeakPolarHBondContact O-CG 2.95Å; P6-Q8 VanDerWaalsContact C-N 3.34Å; P6-Q8 PolarHBondContact O-N 3.4Å; Q8-K11 PolarHBondContact O-N 3.48Å; Q8-F12 PolarHBondContact O-N 3.35Å; Q8-V106 HydrophobicContact CB-CG1 4.29Å; Q8-C107 PolarHBondContact OE1-SG 3.06Å; Q8-Y127 HydrophobicContact CB-CE2 3.84Å; Q8-A132 PolarHBondContact NE2-O 2.91Å; Q8-D136 PolarHBondContact NE2-OD1 3.09Å |
| 9 | R | 90.5 | Very high | 85.1 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 44% | 0.438 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.8 | -47.6 | 177.3 | 179.5 | 178.2 | -75.7 | -99.5 | 4.7 | 112.4 | D7 K11 F12 E13 Y127 D129 | D7-R9 PolarHBondContact O-N 3.5Å; D7-R9 VanDerWaalsContact O-N 3.11Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.1Å; R9-F12 PolarHBondContact O-N 3.3Å; R9-E13 WeakPolarHBondContact CG-OE1 3.2Å; R9-E13 IonicContact NH1-OE1 2.82Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.46Å; R9-Y127 HydrophobicContact CB-CE1 4.08Å; R9-Y127 HydrophobicContact CB-CE2 4.35Å; R9-Y127 HydrophobicContact CG-CE1 4.49Å; R9-Y127 PolarHBondContact N-OH 2.74Å; R9-D129 IonicContact CZ-OD1 2.8Å; R9-D129 IonicContact NE-OD1 3.1Å; R9-D129 IonicContact NH2-OD1 3.94Å; R9-D129 PolarHBondContact NH2-OD1 3.02Å |
| 10 | S | 91.8 | Very high | 85.5 | Confident | 58 Ų | 58 | 85.9 Ų | 85.9 | 41% | 0.406 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 178.4 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | D7 E13 N14 | D7-S10 WeakPolarHBondContact O-CB 3.26Å; D7-S10 PolarHBondContact O-N 3.02Å; S10-E13 PolarHBondContact O-N 3.32Å; S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.33Å; S10-N14 PolarHBondContact O-N 2.82Å; S10-N14 PolarHBondContact O-ND2 3.42Å; S10-N14 PolarHBondContact OG-ND2 3Å; S10-N14 VanDerWaalsContact OG-ND2 3.08Å |
| 11 | K | 91.6 | Very high | 85.8 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 23% | 0.226 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.2 | -168.6 | 173.8 | -177.3 | -176.1 | 0 | 111.9 | V5 D7 Q8 R9 E13 E15 F18 N104 V106 | V5-K11 HydrophobicContact CG2-CD 3.66Å; D7-K11 PolarHBondContact O-N 3.19Å; D7-K11 VanDerWaalsContact O-N 3.14Å; Q8-K11 PolarHBondContact O-N 3.48Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.1Å; K11-E13 PolarHBondContact O-N 3.09Å; K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 VanDerWaalsContact CE-OE2 3.3Å; K11-E15 WeakPolarHBondContact CE-OE2 3.38Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.26Å; K11-E15 WeakPolarHBondContact O-CG 3.32Å; K11-E15 PolarHBondContact O-N 3.12Å; K11-F18 HydrophobicContact CG-CE2 4.49Å; K11-N104 PolarHBondContact NZ-O 2.69Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.76Å; K11-V106 HydrophobicContact CG-CG2 4.04Å |
| 12 | F | 92.8 | Very high | 87.6 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 10% | 0.101 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.9 | -174.4 | -94.5 | 0 | 0 | 0 | 112.5 | Q8 R9 F18 S22 V106 V108 L125 Y127 | Q8-F12 PolarHBondContact O-N 3.35Å; R9-F12 PolarHBondContact O-N 3.3Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CE1 4.29Å; F12-F18 AromaticContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CE2-CB 4.32Å; F12-F18 AromaticContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CG 4.39Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.49Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.3Å; F12-S22 WeakPolarHBondContact CZ-OG 3.33Å; F12-V106 HydrophobicContact CB-CG1 4.01Å; F12-V106 HydrophobicContact CD2-CG1 4.14Å; F12-V108 HydrophobicContact CD2-CG1 3.7Å; F12-V108 HydrophobicContact CE2-CG1 3.65Å; F12-L125 HydrophobicContact CE2-CB 4.32Å; F12-Y127 HydrophobicContact CB-CD2 3.98Å; F12-Y127 HydrophobicContact CD1-CG 4.49Å; F12-Y127 HydrophobicContact CD2-CD2 4.36Å; F12-Y127 HydrophobicContact CG-CD2 4.05Å; F12-Y127 HydrophobicContact CG-CG 4.44Å |
| 13 | E | 91.9 | Very high | 89.1 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 48% | 0.477 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -75.8 | -32.9 | -176.6 | -71 | 174.3 | -177.5 | 0 | 0 | 113 | R9 S10 K11 R19 | R9-E13 WeakPolarHBondContact CG-OE1 3.2Å; R9-E13 IonicContact NH1-OE1 2.82Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.46Å; S10-E13 PolarHBondContact O-N 3.32Å; K11-E13 PolarHBondContact O-N 3.09Å; E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 VanDerWaalsContact O-CG 3.26Å; E13-R19 WeakPolarHBondContact O-CG 3.48Å |
| 14 | N | 91.7 | Very high | 90 | Very high | 110 Ų | 110 | 75.3 Ų | 75.3 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -99.2 | -30.8 | -171.4 | -67.2 | -51.2 | 0 | 0 | 0 | 114.4 | S10 E16 | S10-N14 VanDerWaalsContact O-CB 3.24Å; S10-N14 WeakPolarHBondContact O-CB 3.33Å; S10-N14 PolarHBondContact O-N 2.82Å; S10-N14 PolarHBondContact O-ND2 3.42Å; S10-N14 PolarHBondContact OG-ND2 3Å; S10-N14 VanDerWaalsContact OG-ND2 3.08Å; N14-E16 PolarHBondContact O-N 3.13Å |
| 15 | E | 93.4 | Very high | 90.5 | Very high | 72 Ų | 72 | 75.8 Ų | 75.8 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | trans | -72.5 | 128.7 | -179.2 | -74.2 | -168.8 | 164.6 | 0 | 0 | 111.8 | K11 F17 F18 R19 | K11-E15 WeakPolarHBondContact CE-OE1 3.43Å; K11-E15 VanDerWaalsContact CE-OE2 3.3Å; K11-E15 WeakPolarHBondContact CE-OE2 3.38Å; K11-E15 HydrophobicContact CG-CG 3.83Å; K11-E15 VanDerWaalsContact O-CB 3.29Å; K11-E15 WeakPolarHBondContact O-CB 3.26Å; K11-E15 WeakPolarHBondContact O-CG 3.32Å; K11-E15 PolarHBondContact O-N 3.12Å; E15-F17 PolarHBondContact O-N 3.31Å; E15-F17 VanDerWaalsContact O-N 3.15Å; E15-F18 HydrophobicContact CB-CD2 4.04Å; E15-F18 PolarHBondContact O-N 3.15Å; E15-F18 VanDerWaalsContact O-N 3.13Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.38Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3.5Å | ||
| 16 | E | 90.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 77.6 Ų | 77.6 | 58% | 0.575 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -57 | -34 | -180 | -168.1 | -174.6 | 172.9 | 0 | 0 | 112.4 | N14 R19 K20 | N14-E16 PolarHBondContact O-N 3.13Å; E16-R19 PolarHBondContact O-N 3.03Å; E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å |
| 17 | F | 90.8 | Very high | 92.2 | Very high | 67 Ų | 67 | 72.4 Ų | 72.4 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.9 | -53.7 | 175.9 | 175.3 | -100.2 | 0 | 0 | 0 | 111.8 | E15 L21 T62 L103 | E15-F17 PolarHBondContact O-N 3.31Å; E15-F17 VanDerWaalsContact O-N 3.15Å; F17-L21 HydrophobicContact CD1-CD1 4.41Å; F17-L21 HydrophobicContact CD2-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 3.84Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.48Å; F17-L21 VanDerWaalsContact CZ-CD1 3.48Å; F17-L21 WeakPolarHBondContact O-CG 3.26Å; F17-L21 PolarHBondContact O-N 3.42Å; F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.16Å; F17-L103 HydrophobicContact CE1-CD2 3.63Å; F17-L103 HydrophobicContact CE1-CG 4.09Å; F17-L103 HydrophobicContact CZ-CD2 3.97Å |
| 18 | F | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 178.7 | -72.6 | -69.6 | 0 | 0 | 0 | 111.3 | K11 F12 E15 K20 L21 S22 L103 N104 V106 V108 L125 | K11-F18 HydrophobicContact CG-CE2 4.49Å; F12-F18 HydrophobicContact CD2-CB 3.96Å; F12-F18 AromaticContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CD1 3.62Å; F12-F18 HydrophobicContact CD2-CE1 4.29Å; F12-F18 AromaticContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CD2-CG 3.83Å; F12-F18 HydrophobicContact CE2-CB 4.32Å; F12-F18 AromaticContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CD1 3.92Å; F12-F18 HydrophobicContact CE2-CG 4.39Å; F12-F18 HydrophobicContact CG-CB 4.36Å; F12-F18 HydrophobicContact CG-CG 4.49Å; F12-F18 VanDerWaalsContact O-CB 3.24Å; F12-F18 WeakPolarHBondContact O-CB 3.3Å; E15-F18 HydrophobicContact CB-CD2 4.04Å; E15-F18 PolarHBondContact O-N 3.15Å; E15-F18 VanDerWaalsContact O-N 3.13Å; E15-F18 WeakPolarHBondContact OE2-CE2 3.38Å; F18-K20 PolarHBondContact O-N 3.28Å; F18-K20 VanDerWaalsContact O-N 3.12Å; F18-L21 CarbonylContact O-C 3.56Å; F18-L21 PolarHBondContact O-N 2.86Å; F18-S22 PolarHBondContact O-N 2.91Å; F18-S22 PolarHBondContact O-OG 2.91Å; F18-L103 HydrophobicContact CE1-CB 4.23Å; F18-L103 HydrophobicContact CE1-CD2 4.02Å; F18-L103 HydrophobicContact CE1-CG 4.25Å; F18-L103 HydrophobicContact CZ-CB 4.44Å; F18-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 WeakPolarHBondContact CZ-O 3.16Å; F18-N104 HydrophobicContact CZ-CB 4.29Å; F18-V106 HydrophobicContact CE1-CB 4.36Å; F18-V106 HydrophobicContact CE2-CB 4.3Å; F18-V106 HydrophobicContact CE2-CG2 3.84Å; F18-V106 HydrophobicContact CZ-CB 3.82Å; F18-V106 HydrophobicContact CZ-CG1 4.45Å; F18-V106 HydrophobicContact CZ-CG2 3.85Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; F18-L125 HydrophobicContact CD1-CD1 4.2Å; F18-L125 HydrophobicContact CE1-CD1 4.46Å |
| 19 | R | 92.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 70.6 Ų | 70.6 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55.6 | -35.2 | 179.1 | -67.5 | 177.7 | 71.5 | -169.2 | 1.2 | 113.6 | E13 E15 E16 | E13-R19 WeakPolarHBondContact O-CD 3.22Å; E13-R19 VanDerWaalsContact O-CG 3.26Å; E13-R19 WeakPolarHBondContact O-CG 3.48Å; E15-R19 WeakPolarHBondContact O-CG 3.43Å; E15-R19 PolarHBondContact O-N 3.5Å; E16-R19 PolarHBondContact O-N 3.03Å |
| 20 | K | 92.1 | Very high | 93.3 | Very high | 101 Ų | 101 | 66 Ų | 66 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.5 | -44 | 174.2 | -78.1 | 175.5 | 178.9 | 167.6 | 0 | 111.7 | E16 F18 T60 | E16-K20 HydrophobicContact CG-CD 4.23Å; E16-K20 HydrophobicContact CG-CG 4.47Å; E16-K20 WeakPolarHBondContact O-CB 3.37Å; E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 WeakPolarHBondContact OE1-CE 3.19Å; E16-K20 IonicContact OE1-NZ 2.64Å; E16-K20 PolarHBondContact OE1-NZ 2.9Å; F18-K20 PolarHBondContact O-N 3.28Å; F18-K20 VanDerWaalsContact O-N 3.12Å; K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.35Å |
| 21 | L | 92.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -81.7 | -17.5 | -176.5 | -60.8 | -175.9 | 0 | 0 | 0 | 114 | F17 F18 R23 F57 T60 T62 Y124 L125 | F17-L21 HydrophobicContact CD1-CD1 4.41Å; F17-L21 HydrophobicContact CD2-CD1 4.34Å; F17-L21 HydrophobicContact CE1-CD1 3.84Å; F17-L21 HydrophobicContact CE2-CD1 3.76Å; F17-L21 HydrophobicContact CZ-CD1 3.48Å; F17-L21 VanDerWaalsContact CZ-CD1 3.48Å; F17-L21 WeakPolarHBondContact O-CG 3.26Å; F17-L21 PolarHBondContact O-N 3.42Å; F18-L21 CarbonylContact O-C 3.56Å; F18-L21 PolarHBondContact O-N 2.86Å; L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 2.92Å; L21-F57 HydrophobicContact CB-CZ 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.5Å; L21-F57 HydrophobicContact CD2-CB 3.99Å; L21-F57 HydrophobicContact CD2-CD1 3.84Å; L21-F57 HydrophobicContact CD2-CD2 3.67Å; L21-F57 HydrophobicContact CD2-CE1 4.16Å; L21-F57 HydrophobicContact CD2-CE2 4.01Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.24Å; L21-T60 HydrophobicContact CD2-CG2 4.02Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; L21-Y124 CarbonylContact O-C 3.49Å; L21-Y124 VanDerWaalsContact O-CA 3.22Å; L21-Y124 WeakPolarHBondContact O-CA 3.43Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.02Å; L21-L125 HydrophobicContact CD1-CD1 3.84Å; L21-L125 HydrophobicContact CG-CD1 4.43Å; L21-L125 PolarHBondContact O-N 2.77Å |
| 22 | S | 92.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.1 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 113.5 | F12 F18 L125 | F12-S22 WeakPolarHBondContact CZ-OG 3.33Å; F18-S22 PolarHBondContact O-N 2.91Å; F18-S22 PolarHBondContact O-OG 2.91Å; S22-L125 VanDerWaalsContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CA-O 3.41Å |
| 23 | R | 92.4 | Very high | 93.4 | Very high | 173 Ų | 173 | 72 Ų | 72 | 65% | 0.653 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -85.2 | 144.7 | 173.1 | -64.6 | 178.6 | -179.1 | -168.8 | -2.2 | 108.8 | L21 C25 | L21-R23 VanDerWaalsContact C-N 3.26Å; L21-R23 PolarHBondContact O-N 2.92Å; R23-C25 PolarHBondContact O-N 3.5Å; R23-C25 VanDerWaalsContact O-N 3.09Å; R23-C25 PolarHBondContact O-SG 3.41Å |
| 24 | E | 92.8 | Very high | 93.5 | Very high | 117 Ų | 117 | 72.9 Ų | 72.9 | 55% | 0.547 | 33% | 0.331 | S | S | . | . | trans | -57.2 | 118.2 | 173.2 | -162.7 | 178 | -157.9 | 0 | 0 | 109.8 | M122 Y124 | E24-M122 HydrophobicContact CG-CB 3.82Å; E24-M122 HydrophobicContact CG-CE 3.79Å; E24-M122 HydrophobicContact CG-CG 4.47Å; E24-M122 WeakPolarHBondContact OE1-CB 3.45Å; E24-Y124 HydrophobicContact CG-CD1 4.42Å | ||
| 25 | C | 93.4 | Very high | 93.7 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 150.4 | -173.9 | -74.8 | 0 | 0 | 0 | 0 | 110.4 | R23 I27 F57 M122 G123 | R23-C25 PolarHBondContact O-N 3.5Å; R23-C25 VanDerWaalsContact O-N 3.09Å; R23-C25 PolarHBondContact O-SG 3.41Å; C25-I27 PolarHBondContact O-N 2.92Å; C25-F57 HydrophobicContact CB-CD1 3.61Å; C25-F57 HydrophobicContact CB-CE1 3.98Å; C25-M122 CarbonylContact O-C 3.48Å; C25-M122 WeakPolarHBondContact O-CA 3.49Å; C25-G123 PolarHBondContact N-O 2.85Å; C25-G123 PolarHBondContact O-N 2.86Å |
| 26 | E | 97 | Very high | 93.9 | Very high | 79 Ų | 79 | 74.1 Ų | 74.1 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 132.4 | 172.3 | -171.1 | -172 | 164.5 | 0 | 0 | 109.9 | K28 V58 G121 M122 | E26-K28 WeakPolarHBondContact OE1-CE 3.34Å; E26-K28 IonicContact OE1-NZ 3.02Å; E26-K28 PolarHBondContact OE1-NZ 2.97Å; E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.21Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.87Å; E26-V58 PolarHBondContact O-N 2.93Å; E26-G121 WeakPolarHBondContact CA-O 3.33Å; E26-M122 HydrophobicContact CB-SD 4.28Å |
| 27 | I | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 153.2 | 176.9 | 58.7 | 170.6 | 0 | 0 | 0 | 110.8 | C25 A56 F57 W110 I114 D120 G121 | C25-I27 PolarHBondContact O-N 2.92Å; I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.44Å; I27-F57 HydrophobicContact CG2-CD1 3.78Å; I27-F57 HydrophobicContact CG2-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; I27-W110 HydrophobicContact CD1-CH2 3.89Å; I27-W110 HydrophobicContact CD1-CZ2 3.51Å; I27-I114 HydrophobicContact CD1-CD1 4.09Å; I27-I114 HydrophobicContact CD1-CG1 3.73Å; I27-I114 HydrophobicContact CG1-CG1 4.35Å; I27-D120 CarbonylContact O-C 3.55Å; I27-D120 WeakPolarHBondContact O-CA 3.29Å; I27-G121 VanDerWaalsContact CG1-C 3.43Å; I27-G121 WeakPolarHBondContact CG1-O 3.11Å; I27-G121 PolarHBondContact N-O 3.46Å; I27-G121 PolarHBondContact O-N 3.14Å |
| 28 | K | 97.2 | Very high | 94.3 | Very high | 82 Ų | 82 | 76.6 Ų | 76.6 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.8 | 173.6 | -69.7 | -175.4 | 178.5 | 167.1 | 0 | 111.4 | E26 T30 V55 A56 V58 D120 | E26-K28 WeakPolarHBondContact OE1-CE 3.34Å; E26-K28 IonicContact OE1-NZ 3.02Å; E26-K28 PolarHBondContact OE1-NZ 2.97Å; K28-T30 WeakPolarHBondContact O-CG2 3.04Å; K28-T30 PolarHBondContact O-N 2.86Å; K28-V55 CarbonylContact O-C 3.45Å; K28-V55 WeakPolarHBondContact O-CA 3.36Å; K28-A56 PolarHBondContact N-O 3.41Å; K28-A56 PolarHBondContact O-N 2.85Å; K28-V58 HydrophobicContact CB-CG2 4.38Å; K28-V58 HydrophobicContact CD-CG2 3.87Å; K28-V58 HydrophobicContact CG-CG2 3.71Å; K28-D120 HydrophobicContact CG-CB 3.91Å |
| 29 | Y | 96.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 79.2 Ų | 79.2 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 126.9 | 167.5 | 174.8 | -114.9 | 0 | 0 | 0 | 110 | G31 F32 R40 F44 E54 L119 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.32Å; Y29-G31 VanDerWaalsContact CZ-CA 3.47Å; Y29-F32 VanDerWaalsContact OH-CD2 3.31Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.35Å; Y29-R40 PolarHBondContact O-NH2 3.36Å; Y29-F44 HydrophobicContact CD1-CB 4.16Å; Y29-F44 HydrophobicContact CD1-CD2 4.32Å; Y29-F44 HydrophobicContact CD1-CG 4.5Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.29Å; Y29-F44 HydrophobicContact CE1-CB 3.98Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CG 4.49Å; Y29-F44 HydrophobicContact CG-CB 4.41Å; Y29-F44 AromaticContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CE2 4.34Å; Y29-F44 HydrophobicContact CG-CG 4.28Å; Y29-E54 WeakPolarHBondContact CD2-O 3.39Å; Y29-L119 HydrophobicContact CD1-CD1 4.13Å; Y29-L119 PolarHBondContact N-O 2.8Å |
| 30 | T | 95.6 | Very high | 94.7 | Very high | 20 Ų | 20 | 74.4 Ų | 74.4 | 12% | 0.123 | 34% | 0.342 | C | S | . | . | trans | -107.2 | -3.7 | -173.1 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | K28 R33 E54 A56 | K28-T30 WeakPolarHBondContact O-CG2 3.04Å; K28-T30 PolarHBondContact O-N 2.86Å; T30-R33 WeakPolarHBondContact O-CG 3.13Å; T30-E54 PolarHBondContact N-O 3.38Å; T30-E54 VanDerWaalsContact N-O 3.11Å; T30-E54 PolarHBondContact OG1-O 3.47Å; T30-A56 HydrophobicContact CG2-CB 3.36Å | ||
| 31 | G | 92.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 150.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y29 R33 R40 | Y29-G31 VanDerWaalsContact CE1-O 3.24Å; Y29-G31 WeakPolarHBondContact CE1-O 3.32Å; Y29-G31 VanDerWaalsContact CZ-CA 3.47Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.8Å; G31-R40 PolarHBondContact O-NE 3.01Å; G31-R40 VanDerWaalsContact O-NE 3.11Å; G31-R40 PolarHBondContact O-NH2 3.15Å |
| 32 | F | 92.8 | Very high | 95 | Very high | 90 Ų | 90 | 74 Ų | 74 | 40% | 0.395 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 42.3 | 171.7 | -56 | -81.3 | 0 | 0 | 0 | 114.3 | Y29 D34 R35 R40 R43 | Y29-F32 VanDerWaalsContact OH-CD2 3.31Å; Y29-F32 WeakPolarHBondContact OH-CD2 3.35Å; F32-D34 PolarHBondContact O-N 2.67Å; F32-D34 VanDerWaalsContact O-N 3.15Å; F32-R35 HydrophobicContact CB-CB 4.19Å; F32-R35 HydrophobicContact CB-CG 3.88Å; F32-R35 HydrophobicContact CD1-CG 4.39Å; F32-R35 WeakPolarHBondContact O-CB 2.89Å; F32-R35 PolarHBondContact O-N 3.17Å; F32-R40 HydrophobicContact CB-CG 4.24Å; F32-R40 WeakPolarHBondContact O-CD 3.39Å; F32-R40 VanDerWaalsContact O-CG 3.22Å; F32-R40 WeakPolarHBondContact O-CG 3.3Å; F32-R40 PolarHBondContact O-NE 2.81Å; F32-R43 HydrophobicContact CD2-CB 3.95Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.37Å |
| 33 | R | 92 | Very high | 95.1 | Very high | 163 Ų | 163 | 76.9 Ų | 76.9 | 62% | 0.615 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.5 | -178.7 | -72.9 | 178.4 | 178 | -133 | 3.9 | 113.9 | T30 G31 R35 | T30-R33 WeakPolarHBondContact O-CG 3.13Å; G31-R33 VanDerWaalsContact C-N 3.3Å; G31-R33 PolarHBondContact O-N 2.8Å; R33-R35 VanDerWaalsContact C-N 3.28Å |
| 34 | D | 94.6 | Very high | 95.3 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 65% | 0.647 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.2 | 175.3 | 61.7 | -56.4 | 0 | 0 | 0 | 113.6 | F32 | F32-D34 PolarHBondContact O-N 2.67Å; F32-D34 VanDerWaalsContact O-N 3.15Å |
| 35 | R | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 65.5 Ų | 65.5 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -100.5 | 156.8 | -172.5 | -58.8 | -63.7 | 169.2 | 151.7 | -1 | 113.2 | F32 R33 E39 R40 | F32-R35 HydrophobicContact CB-CB 4.19Å; F32-R35 HydrophobicContact CB-CG 3.88Å; F32-R35 HydrophobicContact CD1-CG 4.39Å; F32-R35 WeakPolarHBondContact O-CB 2.89Å; F32-R35 PolarHBondContact O-N 3.17Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R35-E39 HydrophobicContact CB-CB 4.43Å; R35-R40 HydrophobicContact CB-CG 4.11Å; R35-R40 WeakPolarHBondContact O-CD 3.38Å |
| 36 | P | 96.8 | Very high | 95.3 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | trans | -55.6 | 147.7 | 172.2 | -24 | 34.5 | 0 | 0 | 0 | 112.2 | E38 E39 R40 | P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.08Å; P36-E39 WeakPolarHBondContact O-CB 3.49Å; P36-E39 PolarHBondContact O-N 2.89Å; P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.45Å | ||
| 37 | H | 95.3 | Very high | 95.1 | Very high | 86 Ų | 86 | 65.4 Ų | 65.4 | 40% | 0.398 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.5 | -43.6 | -173.8 | -170 | 65.9 | 0 | 0 | 0 | 113.5 | E39 R40 Q41 Q117 | H37-E39 VanDerWaalsContact C-N 3.34Å; H37-E39 PolarHBondContact O-N 3.29Å; H37-R40 WeakPolarHBondContact O-CB 3.49Å; H37-R40 PolarHBondContact O-N 3.21Å; H37-R40 VanDerWaalsContact O-N 3.13Å; H37-Q41 PolarHBondContact CD2-NE2 2.77Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.29Å; H37-Q41 PolarHBondContact NE2-NE2 2.97Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.17Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 2.84Å; H37-Q117 PolarHBondContact CE1-O 2.85Å; H37-Q117 VanDerWaalsContact CE1-O 3.3Å; H37-Q117 PolarHBondContact NE2-O 3.01Å |
| 38 | E | 95.8 | Very high | 94.8 | Very high | 155 Ų | 155 | 65.4 Ų | 65.4 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 177.1 | -172 | 178.8 | -175.5 | 0 | 0 | 112.4 | P36 R40 Q41 A42 | P36-E38 VanDerWaalsContact C-N 3.33Å; P36-E38 PolarHBondContact O-N 3.08Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.38Å; E38-Q41 PolarHBondContact O-N 3.27Å; E38-A42 PolarHBondContact O-N 3.47Å; E38-A42 VanDerWaalsContact O-N 3.12Å |
| 39 | E | 96.1 | Very high | 94.5 | Very high | 55 Ų | 55 | 67.4 Ų | 67.4 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.9 | -39.3 | 175.2 | -168 | -174.7 | 159.3 | 0 | 0 | 110.8 | R35 P36 H37 Q41 A42 R43 | R35-E39 HydrophobicContact CB-CB 4.43Å; P36-E39 WeakPolarHBondContact O-CB 3.49Å; P36-E39 PolarHBondContact O-N 2.89Å; H37-E39 VanDerWaalsContact C-N 3.34Å; H37-E39 PolarHBondContact O-N 3.29Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; E39-A42 PolarHBondContact O-N 2.84Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.8Å; E39-R43 IonicContact OE1-CZ 3.04Å; E39-R43 VanDerWaalsContact OE1-CZ 3.22Å; E39-R43 IonicContact OE1-NE 2.67Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.7Å |
| 40 | R | 96.4 | Very high | 94.1 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 176.3 | -63.7 | -179.5 | 70.1 | -139.5 | -5.6 | 111.8 | Y29 G31 F32 R35 P36 H37 E38 R43 F44 L119 | Y29-R40 PolarHBondContact O-NH2 3.36Å; G31-R40 PolarHBondContact O-NE 3.01Å; G31-R40 VanDerWaalsContact O-NE 3.11Å; G31-R40 PolarHBondContact O-NH2 3.15Å; F32-R40 HydrophobicContact CB-CG 4.24Å; F32-R40 WeakPolarHBondContact O-CD 3.39Å; F32-R40 VanDerWaalsContact O-CG 3.22Å; F32-R40 WeakPolarHBondContact O-CG 3.3Å; F32-R40 PolarHBondContact O-NE 2.81Å; R35-R40 HydrophobicContact CB-CG 4.11Å; R35-R40 WeakPolarHBondContact O-CD 3.38Å; P36-R40 WeakPolarHBondContact O-CG 3.4Å; P36-R40 PolarHBondContact O-N 3.45Å; H37-R40 WeakPolarHBondContact O-CB 3.49Å; H37-R40 PolarHBondContact O-N 3.21Å; H37-R40 VanDerWaalsContact O-N 3.13Å; E38-R40 VanDerWaalsContact C-N 3.32Å; E38-R40 PolarHBondContact O-N 3.38Å; R40-R43 PolarHBondContact O-N 2.76Å; R40-F44 VanDerWaalsContact O-CB 3.31Å; R40-F44 WeakPolarHBondContact O-CB 3.29Å; R40-F44 PolarHBondContact O-N 3.17Å; R40-L119 HydrophobicContact CB-CD1 3.65Å |
| 41 | Q | 96.1 | Very high | 93.8 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 176.4 | -67.2 | 169.1 | -20.2 | 0 | 0 | 111.5 | H37 E38 E39 R43 F44 Q45 L116 Q117 L119 | H37-Q41 PolarHBondContact CD2-NE2 2.77Å; H37-Q41 VanDerWaalsContact CD2-NE2 3.29Å; H37-Q41 PolarHBondContact NE2-NE2 2.97Å; H37-Q41 VanDerWaalsContact NE2-NE2 3.17Å; H37-Q41 WeakPolarHBondContact O-CG 3.25Å; H37-Q41 PolarHBondContact O-N 2.84Å; E38-Q41 PolarHBondContact O-N 3.27Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 2.94Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3Å; Q41-F44 PolarHBondContact O-N 3.49Å; Q41-Q45 WeakPolarHBondContact O-CG 3.43Å; Q41-Q45 PolarHBondContact O-N 2.85Å; Q41-Q45 VanDerWaalsContact O-N 3.07Å; Q41-L116 WeakPolarHBondContact CG-O 3.45Å; Q41-Q117 PolarHBondContact NE2-O 2.85Å; Q41-L119 HydrophobicContact CG-CD1 4.11Å; Q41-L119 HydrophobicContact CG-CD2 4.24Å; Q41-L119 HydrophobicContact CG-CG 4.2Å |
| 42 | A | 95.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 78 Ų | 78 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E38 E39 Q45 N46 | E38-A42 PolarHBondContact O-N 3.47Å; E38-A42 VanDerWaalsContact O-N 3.12Å; E39-A42 PolarHBondContact O-N 2.84Å; A42-Q45 PolarHBondContact O-N 3.13Å; A42-N46 WeakPolarHBondContact O-CB 3.12Å; A42-N46 VanDerWaalsContact O-CG 3.25Å; A42-N46 PolarHBondContact O-N 3.03Å; A42-N46 PolarHBondContact O-ND2 3.11Å |
| 43 | R | 95.3 | Very high | 93.8 | Very high | 98 Ų | 98 | 74 Ų | 74 | 37% | 0.37 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 177.8 | -74.1 | -176.2 | -177.6 | -73.8 | -2.9 | 112.7 | F32 E39 R40 Q41 N46 A47 | F32-R43 HydrophobicContact CD2-CB 3.95Å; F32-R43 HydrophobicContact CD2-CG 4.35Å; F32-R43 HydrophobicContact CE2-CB 4.06Å; F32-R43 HydrophobicContact CE2-CG 4.37Å; E39-R43 HydrophobicContact CG-CG 4.48Å; E39-R43 WeakPolarHBondContact O-CB 3.22Å; E39-R43 VanDerWaalsContact O-CG 3.28Å; E39-R43 WeakPolarHBondContact O-CG 3.46Å; E39-R43 PolarHBondContact O-N 2.8Å; E39-R43 IonicContact OE1-CZ 3.04Å; E39-R43 VanDerWaalsContact OE1-CZ 3.22Å; E39-R43 IonicContact OE1-NE 2.67Å; E39-R43 PolarHBondContact OE1-NE 3.34Å; E39-R43 IonicContact OE1-NH2 3.75Å; E39-R43 PolarHBondContact OE1-NH2 2.7Å; R40-R43 PolarHBondContact O-N 2.76Å; Q41-R43 VanDerWaalsContact C-N 3.35Å; Q41-R43 PolarHBondContact O-N 3Å; R43-N46 PolarHBondContact O-N 3.43Å; R43-A47 VanDerWaalsContact O-CB 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.96Å |
| 44 | F | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -49.4 | 176.2 | 172.6 | -111 | 0 | 0 | 0 | 111.4 | Y29 R40 Q41 N46 A47 C48 S53 V95 L97 I114 L116 L119 | Y29-F44 HydrophobicContact CD1-CB 4.16Å; Y29-F44 HydrophobicContact CD1-CD2 4.32Å; Y29-F44 HydrophobicContact CD1-CG 4.5Å; Y29-F44 AromaticContact CD2-CD2 3.37Å; Y29-F44 HydrophobicContact CD2-CD2 3.37Å; Y29-F44 AromaticContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CE2 3.94Å; Y29-F44 HydrophobicContact CD2-CG 4.29Å; Y29-F44 HydrophobicContact CE1-CB 3.98Å; Y29-F44 HydrophobicContact CE2-CB 4.38Å; Y29-F44 AromaticContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CD2 3.68Å; Y29-F44 HydrophobicContact CE2-CG 4.49Å; Y29-F44 HydrophobicContact CG-CB 4.41Å; Y29-F44 AromaticContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CD2 3.72Å; Y29-F44 HydrophobicContact CG-CE2 4.34Å; Y29-F44 HydrophobicContact CG-CG 4.28Å; R40-F44 VanDerWaalsContact O-CB 3.31Å; R40-F44 WeakPolarHBondContact O-CB 3.29Å; R40-F44 PolarHBondContact O-N 3.17Å; Q41-F44 PolarHBondContact O-N 3.49Å; F44-N46 VanDerWaalsContact C-N 3.33Å; F44-N46 PolarHBondContact O-N 2.93Å; F44-A47 PolarHBondContact O-N 3.19Å; F44-C48 VanDerWaalsContact CE2-SG 3.55Å; F44-C48 VanDerWaalsContact CZ-SG 3.59Å; F44-C48 PolarHBondContact O-N 2.96Å; F44-C48 PolarHBondContact O-SG 3.11Å; F44-C48 VanDerWaalsContact O-SG 3.42Å; F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; F44-V95 HydrophobicContact CE1-CG1 3.6Å; F44-V95 HydrophobicContact CZ-CG1 3.72Å; F44-L97 HydrophobicContact CZ-CD1 4.17Å; F44-I114 HydrophobicContact CE1-CB 4.15Å; F44-I114 HydrophobicContact CE1-CG2 3.68Å; F44-I114 HydrophobicContact CE2-CD1 3.83Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.76Å; F44-I114 HydrophobicContact CZ-CD1 3.64Å; F44-I114 HydrophobicContact CZ-CG1 4.28Å; F44-I114 HydrophobicContact CZ-CG2 3.62Å; F44-L116 HydrophobicContact CD1-CD2 4.27Å; F44-L116 HydrophobicContact CE1-CD2 3.98Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.72Å; F44-L119 HydrophobicContact CE1-CD2 4.48Å; F44-L119 HydrophobicContact CG-CD2 3.97Å |
| 45 | Q | 93.9 | Very high | 94 | Very high | 51 Ų | 51 | 65.2 Ų | 65.2 | 24% | 0.238 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -43 | 178.1 | -72 | 179.5 | 47.6 | 0 | 0 | 112.2 | Q41 A42 C48 R49 F88 L116 | Q41-Q45 WeakPolarHBondContact O-CG 3.43Å; Q41-Q45 PolarHBondContact O-N 2.85Å; Q41-Q45 VanDerWaalsContact O-N 3.07Å; A42-Q45 PolarHBondContact O-N 3.13Å; Q45-C48 PolarHBondContact O-N 3.39Å; Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.46Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; Q45-F88 HydrophobicContact CG-CE1 4.46Å; Q45-L116 HydrophobicContact CG-CD2 3.92Å |
| 46 | N | 93.2 | Very high | 94 | Very high | 81 Ų | 81 | 60 Ų | 60 | 43% | 0.433 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 176.7 | -70.2 | -19.2 | 0 | 0 | 0 | 111.7 | A42 R43 F44 C48 R49 D50 | A42-N46 WeakPolarHBondContact O-CB 3.12Å; A42-N46 VanDerWaalsContact O-CG 3.25Å; A42-N46 PolarHBondContact O-N 3.03Å; A42-N46 PolarHBondContact O-ND2 3.11Å; R43-N46 PolarHBondContact O-N 3.43Å; F44-N46 VanDerWaalsContact C-N 3.33Å; F44-N46 PolarHBondContact O-N 2.93Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 2.96Å; N46-R49 CarbonylContact O-C 3.46Å; N46-R49 WeakPolarHBondContact O-CB 3.24Å; N46-R49 PolarHBondContact O-N 2.96Å; N46-R49 VanDerWaalsContact O-N 3.12Å; N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.43Å |
| 47 | A | 92.1 | Very high | 94 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 13% | 0.132 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R43 F44 R49 D50 G51 R52 | R43-A47 VanDerWaalsContact O-CB 3.26Å; R43-A47 WeakPolarHBondContact O-CB 3.24Å; R43-A47 PolarHBondContact O-N 2.96Å; F44-A47 PolarHBondContact O-N 3.19Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.06Å; A47-D50 CarbonylContact O-C 3.55Å; A47-D50 WeakPolarHBondContact O-CA 3.35Å; A47-D50 WeakPolarHBondContact O-CB 3.24Å; A47-D50 PolarHBondContact O-N 3.08Å; A47-D50 VanDerWaalsContact O-N 3.07Å; A47-G51 PolarHBondContact O-N 2.97Å; A47-R52 CarbonylContact C-O 3.59Å; A47-R52 VanDerWaalsContact CB-O 3.27Å; A47-R52 WeakPolarHBondContact CB-O 3.44Å; A47-R52 PolarHBondContact O-N 3.12Å |
| 48 | C | 92.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.2 | -42.5 | 173.3 | -73.9 | 0 | 0 | 0 | 0 | 112 | F44 Q45 N46 D50 G51 P81 V86 F88 | F44-C48 VanDerWaalsContact CE2-SG 3.55Å; F44-C48 VanDerWaalsContact CZ-SG 3.59Å; F44-C48 PolarHBondContact O-N 2.96Å; F44-C48 PolarHBondContact O-SG 3.11Å; F44-C48 VanDerWaalsContact O-SG 3.42Å; Q45-C48 PolarHBondContact O-N 3.39Å; N46-C48 VanDerWaalsContact C-N 3.34Å; N46-C48 PolarHBondContact O-N 2.96Å; C48-D50 VanDerWaalsContact C-N 3.32Å; C48-G51 PolarHBondContact O-N 3.24Å; C48-G51 VanDerWaalsContact O-N 3.14Å; C48-P81 WeakPolarHBondContact O-CG 3.42Å; C48-V86 HydrophobicContact CB-CG1 4.14Å; C48-F88 HydrophobicContact CB-CZ 3.79Å |
| 49 | R | 89.8 | Confident | 93.5 | Very high | 125 Ų | 125 | 51.2 Ų | 51.2 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69 | -28 | 174.5 | -68.6 | 173.2 | -174.9 | 149.6 | 2.2 | 113.4 | Q45 N46 A47 G51 P81 F88 | Q45-R49 WeakPolarHBondContact O-CG 3.3Å; Q45-R49 PolarHBondContact O-N 3.46Å; Q45-R49 VanDerWaalsContact O-N 3.08Å; N46-R49 CarbonylContact O-C 3.46Å; N46-R49 WeakPolarHBondContact O-CB 3.24Å; N46-R49 PolarHBondContact O-N 2.96Å; N46-R49 VanDerWaalsContact O-N 3.12Å; A47-R49 VanDerWaalsContact C-N 3.31Å; A47-R49 PolarHBondContact O-N 3.06Å; R49-G51 PolarHBondContact O-N 2.93Å; R49-P81 WeakPolarHBondContact O-CD 3.1Å; R49-F88 HydrophobicContact CG-CE2 3.99Å; R49-F88 HydrophobicContact CG-CZ 4.25Å |
| 50 | D | 89.3 | Confident | 93.3 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 52% | 0.519 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -5 | 172.9 | -68.5 | -17 | 0 | 0 | 0 | 112.4 | N46 A47 C48 | N46-D50 VanDerWaalsContact O-CG 3.28Å; N46-D50 PolarHBondContact O-N 3.43Å; A47-D50 CarbonylContact O-C 3.55Å; A47-D50 WeakPolarHBondContact O-CA 3.35Å; A47-D50 WeakPolarHBondContact O-CB 3.24Å; A47-D50 PolarHBondContact O-N 3.08Å; A47-D50 VanDerWaalsContact O-N 3.07Å; C48-D50 VanDerWaalsContact C-N 3.32Å |
| 51 | G | 88.5 | Confident | 93.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 20.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | A47 C48 R49 F68 | A47-G51 PolarHBondContact O-N 2.97Å; C48-G51 PolarHBondContact O-N 3.24Å; C48-G51 VanDerWaalsContact O-N 3.14Å; R49-G51 PolarHBondContact O-N 2.93Å; G51-F68 PolarHBondContact O-N 3.41Å |
| 52 | R | 91.3 | Very high | 92.9 | Very high | 161 Ų | 161 | 51.2 Ų | 51.2 | 61% | 0.608 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 148.7 | 177.9 | 61 | -178.5 | 177.4 | 171.3 | -0.9 | 112.9 | A47 L66 | A47-R52 CarbonylContact C-O 3.59Å; A47-R52 VanDerWaalsContact CB-O 3.27Å; A47-R52 WeakPolarHBondContact CB-O 3.44Å; A47-R52 PolarHBondContact O-N 3.12Å; R52-L66 CarbonylContact C-O 3.53Å; R52-L66 VanDerWaalsContact CA-O 3.29Å; R52-L66 WeakPolarHBondContact CA-O 3.34Å |
| 53 | S | 94 | Very high | 92.8 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168.3 | 170.7 | -159.3 | 0 | 0 | 0 | 0 | 111.6 | F44 L66 | F44-S53 WeakPolarHBondContact CE2-OG 3.42Å; S53-L66 PolarHBondContact N-O 2.8Å; S53-L66 PolarHBondContact O-N 2.82Å |
| 54 | E | 94.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 46% | 0.463 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 122.4 | 177.3 | -66.5 | -179.3 | 173.2 | 0 | 0 | 109.4 | Y29 T30 L64 | Y29-E54 WeakPolarHBondContact CD2-O 3.39Å; T30-E54 PolarHBondContact N-O 3.38Å; T30-E54 VanDerWaalsContact N-O 3.11Å; T30-E54 PolarHBondContact OG1-O 3.47Å; E54-L64 WeakPolarHBondContact CA-O 3.41Å |
| 55 | V | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.7 | -177.9 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | K28 N63 L64 L66 W110 I114 | K28-V55 CarbonylContact O-C 3.45Å; K28-V55 WeakPolarHBondContact O-CA 3.36Å; V55-N63 CarbonylContact O-C 2.95Å; V55-N63 WeakPolarHBondContact O-CA 3.44Å; V55-L64 HydrophobicContact CG2-CB 4.27Å; V55-L64 PolarHBondContact N-O 3.07Å; V55-L64 PolarHBondContact O-N 3.3Å; V55-L66 HydrophobicContact CB-CD1 4.43Å; V55-L66 HydrophobicContact CG1-CD1 3.94Å; V55-L66 HydrophobicContact CG2-CD1 3.6Å; V55-L66 HydrophobicContact CG2-CD2 4.34Å; V55-L66 HydrophobicContact CG2-CG 3.94Å; V55-W110 HydrophobicContact CG2-CZ2 3.88Å; V55-I114 HydrophobicContact CG1-CD1 3.69Å |
| 56 | A | 96.6 | Very high | 92.6 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I27 K28 T30 V58 T62 N63 | I27-A56 CarbonylContact C-O 3.5Å; I27-A56 WeakPolarHBondContact CA-O 3.44Å; K28-A56 PolarHBondContact N-O 3.41Å; K28-A56 PolarHBondContact O-N 2.85Å; T30-A56 HydrophobicContact CG2-CB 3.36Å; A56-V58 PolarHBondContact O-N 2.82Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.31Å; A56-N63 VanDerWaalsContact CB-OD1 3.25Å; A56-N63 WeakPolarHBondContact CB-OD1 3.44Å |
| 57 | F | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 118 | 164.2 | -74.4 | -86.6 | 0 | 0 | 0 | 109.3 | L21 C25 I27 A59 T60 G61 T62 L64 W110 G123 | L21-F57 HydrophobicContact CB-CZ 4.49Å; L21-F57 HydrophobicContact CD1-CE2 4.5Å; L21-F57 HydrophobicContact CD2-CB 3.99Å; L21-F57 HydrophobicContact CD2-CD1 3.84Å; L21-F57 HydrophobicContact CD2-CD2 3.67Å; L21-F57 HydrophobicContact CD2-CE1 4.16Å; L21-F57 HydrophobicContact CD2-CE2 4.01Å; L21-F57 HydrophobicContact CD2-CG 3.56Å; L21-F57 HydrophobicContact CD2-CZ 4.24Å; C25-F57 HydrophobicContact CB-CD1 3.61Å; C25-F57 HydrophobicContact CB-CE1 3.98Å; I27-F57 HydrophobicContact CG2-CD1 3.78Å; I27-F57 HydrophobicContact CG2-CE1 3.94Å; I27-F57 HydrophobicContact CG2-CG 4.2Å; I27-F57 HydrophobicContact CG2-CZ 4.48Å; F57-A59 PolarHBondContact O-N 3.42Å; F57-T60 WeakPolarHBondContact CB-OG1 3.1Å; F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.24Å; F57-G61 PolarHBondContact O-N 2.68Å; F57-T62 PolarHBondContact N-O 2.84Å; F57-T62 PolarHBondContact O-N 3.36Å; F57-L64 HydrophobicContact CD2-CD1 4.25Å; F57-L64 HydrophobicContact CE2-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CG 4.4Å; F57-W110 AromaticContact CE2-CD1 3.9Å; F57-W110 AromaticContact CE2-NE1 3.68Å; F57-W110 AromaticContact CZ-CD1 3.79Å; F57-W110 AromaticContact CZ-NE1 3.5Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å |
| 58 | V | 93.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 52.3 Ų | 52.3 | 38% | 0.376 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -41.8 | -175 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | E26 K28 A56 T60 | E26-V58 HydrophobicContact CB-CB 4.18Å; E26-V58 HydrophobicContact CB-CG2 4.21Å; E26-V58 HydrophobicContact CG-CB 4.3Å; E26-V58 HydrophobicContact CG-CG2 3.87Å; E26-V58 PolarHBondContact O-N 2.93Å; K28-V58 HydrophobicContact CB-CG2 4.38Å; K28-V58 HydrophobicContact CD-CG2 3.87Å; K28-V58 HydrophobicContact CG-CG2 3.71Å; A56-V58 PolarHBondContact O-N 2.82Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.01Å |
| 59 | A | 88.2 | Confident | 91.7 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 69% | 0.694 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -35.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | F57 | F57-A59 PolarHBondContact O-N 3.42Š|
| 60 | T | 90.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 50 Ų | 50 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -14.2 | -176.7 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | K20 L21 F57 V58 T62 | K20-T60 HydrophobicContact CB-CG2 4.24Å; K20-T60 HydrophobicContact CD-CG2 4.35Å; L21-T60 HydrophobicContact CD2-CG2 4.02Å; F57-T60 WeakPolarHBondContact CB-OG1 3.1Å; V58-T60 VanDerWaalsContact C-N 3.34Å; V58-T60 PolarHBondContact O-N 3.01Å; T60-T62 WeakPolarHBondContact CB-OG1 3.39Å; T60-T62 PolarHBondContact O-N 3.02Å; T60-T62 WeakPolarHBondContact OG1-CB 3.33Å; T60-T62 PolarHBondContact OG1-N 2.85Å; T60-T62 PolarHBondContact OG1-OG1 2.74Å |
| 61 | G | 91.6 | Very high | 89.2 | Confident | 49 Ų | 49 | 46.3 Ų | 46.3 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | trans | 69.2 | 12.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F57 N63 | F57-G61 VanDerWaalsContact O-CA 3.26Å; F57-G61 WeakPolarHBondContact O-CA 3.24Å; F57-G61 PolarHBondContact O-N 2.68Å; G61-N63 PolarHBondContact O-N 2.87Å | ||
| 62 | T | 92.9 | Very high | 87.6 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | trans | -74.8 | 115.6 | -177.1 | -52.4 | 0 | 0 | 0 | 0 | 110.1 | F17 L21 A56 F57 T60 L64 | F17-T62 HydrophobicContact CE2-CG2 4.06Å; F17-T62 HydrophobicContact CZ-CG2 4.16Å; L21-T62 HydrophobicContact CD1-CG2 4.33Å; A56-T62 CarbonylContact C-O 3.55Å; A56-T62 VanDerWaalsContact CA-O 3.24Å; A56-T62 WeakPolarHBondContact CA-O 3.31Å; F57-T62 PolarHBondContact N-O 2.84Å; F57-T62 PolarHBondContact O-N 3.36Å; T60-T62 WeakPolarHBondContact CB-OG1 3.39Å; T60-T62 PolarHBondContact O-N 3.02Å; T60-T62 WeakPolarHBondContact OG1-CB 3.33Å; T60-T62 PolarHBondContact OG1-N 2.85Å; T60-T62 PolarHBondContact OG1-OG1 2.74Å; T62-L64 HydrophobicContact CG2-CD2 4.18Å | ||
| 63 | N | 94.4 | Very high | 85.9 | Confident | 107 Ų | 107 | 48.3 Ų | 48.3 | 57% | 0.572 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 135 | 171.7 | -62.8 | -66.9 | 0 | 0 | 0 | 110.6 | V55 A56 G61 | V55-N63 CarbonylContact O-C 2.95Å; V55-N63 WeakPolarHBondContact O-CA 3.44Å; A56-N63 VanDerWaalsContact CB-OD1 3.25Å; A56-N63 WeakPolarHBondContact CB-OD1 3.44Å; G61-N63 PolarHBondContact O-N 2.87Å |
| 64 | L | 93.7 | Very high | 83.9 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 132 | 174.2 | -62.7 | -176.4 | 0 | 0 | 0 | 110 | E54 V55 F57 T62 L66 M101 L103 | E54-L64 WeakPolarHBondContact CA-O 3.41Å; V55-L64 HydrophobicContact CG2-CB 4.27Å; V55-L64 PolarHBondContact N-O 3.07Å; V55-L64 PolarHBondContact O-N 3.3Å; F57-L64 HydrophobicContact CD2-CD1 4.25Å; F57-L64 HydrophobicContact CE2-CD1 3.61Å; F57-L64 HydrophobicContact CE2-CG 4.4Å; T62-L64 HydrophobicContact CG2-CD2 4.18Å; L64-L66 HydrophobicContact CB-CD2 3.99Å; L64-L66 HydrophobicContact CD1-CD2 4.43Å; L64-M101 HydrophobicContact CD1-SD 4.49Å; L64-L103 HydrophobicContact CD2-CD1 4.29Å; L64-L103 HydrophobicContact CD2-CD2 4.38Å |
| 65 | S | 93.8 | Very high | 81.7 | Confident | 84 Ų | 84 | 53.2 Ų | 53.2 | 59% | 0.587 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 118.1 | 163.5 | -168.7 | 0 | 0 | 0 | 0 | 108 | M101 | S65-M101 WeakPolarHBondContact O-CE 3.33Å |
| 66 | L | 92.9 | Very high | 79.4 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 137.3 | -176.3 | -56.6 | -178.6 | 0 | 0 | 0 | 109.9 | R52 S53 V55 L64 F68 A99 M101 W110 | R52-L66 CarbonylContact C-O 3.53Å; R52-L66 VanDerWaalsContact CA-O 3.29Å; R52-L66 WeakPolarHBondContact CA-O 3.34Å; S53-L66 PolarHBondContact N-O 2.8Å; S53-L66 PolarHBondContact O-N 2.82Å; V55-L66 HydrophobicContact CB-CD1 4.43Å; V55-L66 HydrophobicContact CG1-CD1 3.94Å; V55-L66 HydrophobicContact CG2-CD1 3.6Å; V55-L66 HydrophobicContact CG2-CD2 4.34Å; V55-L66 HydrophobicContact CG2-CG 3.94Å; L64-L66 HydrophobicContact CB-CD2 3.99Å; L64-L66 HydrophobicContact CD1-CD2 4.43Å; L66-F68 HydrophobicContact CB-CE1 3.81Å; L66-F68 HydrophobicContact CB-CZ 3.97Å; L66-F68 HydrophobicContact CD1-CE1 4.08Å; L66-F68 HydrophobicContact CD1-CZ 4.26Å; L66-A99 HydrophobicContact CB-CB 4.01Å; L66-A99 HydrophobicContact CD2-CB 4.08Å; L66-A99 HydrophobicContact CG-CB 4.46Å; L66-M101 HydrophobicContact CD2-SD 4.41Å; L66-W110 HydrophobicContact CD1-CD2 3.7Å; L66-W110 HydrophobicContact CD1-CE3 3.48Å; L66-W110 VanDerWaalsContact CD1-CE3 3.48Å; L66-W110 HydrophobicContact CD1-CG 4.49Å; L66-W110 HydrophobicContact CD1-CH2 3.72Å; L66-W110 HydrophobicContact CD1-CZ2 3.91Å; L66-W110 HydrophobicContact CD1-CZ3 3.5Å; L66-W110 HydrophobicContact CD2-CB 4.1Å; L66-W110 HydrophobicContact CD2-CD2 3.92Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 3.84Å; L66-W110 HydrophobicContact CG-CD2 4.49Å |
| 67 | Q | 90.4 | Very high | 77.4 | Confident | 115 Ų | 115 | 68.7 Ų | 68.7 | 54% | 0.537 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 127.1 | 171.6 | -169.7 | 171.6 | 15.9 | 0 | 0 | 108.7 | F69 A99 | Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.41Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 2.87Å; Q67-A99 WeakPolarHBondContact O-CB 3.44Å |
| 68 | F | 86.8 | Confident | 75.5 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -96.4 | 33.2 | -172.3 | -53.7 | -51 | 0 | 0 | 0 | 112 | G51 L66 P81 Y85 V86 L97 K98 A99 | G51-F68 PolarHBondContact O-N 3.41Å; L66-F68 HydrophobicContact CB-CE1 3.81Å; L66-F68 HydrophobicContact CB-CZ 3.97Å; L66-F68 HydrophobicContact CD1-CE1 4.08Å; L66-F68 HydrophobicContact CD1-CZ 4.26Å; F68-P81 HydrophobicContact CB-CB 3.9Å; F68-Y85 WeakPolarHBondContact O-CB 3.44Å; F68-Y85 WeakPolarHBondContact O-CD2 3.5Å; F68-V86 HydrophobicContact CB-CG2 3.75Å; F68-V86 HydrophobicContact CD1-CG2 4.33Å; F68-V86 HydrophobicContact CD2-CG2 3.58Å; F68-V86 HydrophobicContact CE2-CG2 4.31Å; F68-V86 HydrophobicContact CG-CG2 3.63Å; F68-L97 HydrophobicContact CE1-CB 4.05Å; F68-L97 HydrophobicContact CE1-CD1 4.46Å; F68-L97 HydrophobicContact CE1-CD2 4.05Å; F68-L97 HydrophobicContact CE1-CG 4.41Å; F68-L97 HydrophobicContact CE2-CD2 4.09Å; F68-L97 HydrophobicContact CZ-CB 4.4Å; F68-L97 HydrophobicContact CZ-CD1 4.01Å; F68-L97 HydrophobicContact CZ-CD2 3.79Å; F68-L97 HydrophobicContact CZ-CG 4.29Å; F68-K98 WeakPolarHBondContact CD1-O 3.28Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.03Å | ||
| 69 | F | 80 | Confident | 74.1 | Confident | 32 Ų | 32 | 81.4 Ų | 81.4 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -123 | 150.5 | 179 | -60.5 | -72.1 | 0 | 0 | 0 | 110.6 | Q67 A71 Q79 P81 | Q67-F69 VanDerWaalsContact C-N 3.28Å; Q67-F69 HydrophobicContact CG-CB 4.41Å; Q67-F69 HydrophobicContact CG-CD2 3.71Å; Q67-F69 PolarHBondContact O-N 2.87Å; F69-A71 PolarHBondContact O-N 2.93Å; F69-Q79 HydrophobicContact CD1-CB 4.26Å; F69-Q79 HydrophobicContact CE1-CB 3.77Å; F69-Q79 WeakPolarHBondContact CE1-O 3.15Å; F69-Q79 WeakPolarHBondContact CZ-O 3.44Å; F69-P81 HydrophobicContact CE1-CB 4.29Å |
| 70 | P | 66.6 | Low | 73.3 | Confident | 44 Ų | 44 | 83.1 Ų | 83.1 | 29% | 0.286 | 45% | 0.449 | S | S | . | . | trans | -57.1 | 131.4 | 165.6 | -15.7 | 25.9 | 0 | 0 | 0 | 109.8 | N72 L73 Y85 | P70-N72 PolarHBondContact O-N 3.03Å; P70-L73 HydrophobicContact CB-CD1 3.9Å; P70-L73 HydrophobicContact CG-CD1 3.6Å; P70-L73 PolarHBondContact O-N 2.77Å; P70-L73 VanDerWaalsContact O-N 3.17Å; P70-Y85 HydrophobicContact CG-CE2 4.16Å | ||
| 71 | A | 60 | Low | 72.8 | Confident | 20 Ų | 20 | 81 Ų | 81 | 17% | 0.165 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -11.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F69 L73 H74 | F69-A71 PolarHBondContact O-N 2.93Å; A71-L73 VanDerWaalsContact C-N 3.33Å; A71-H74 PolarHBondContact O-CE1 3.14Å; A71-H74 PolarHBondContact O-ND1 3.49Å |
| 72 | N | 55.8 | Low | 72.5 | Confident | 116 Ų | 116 | 81.3 Ų | 81.3 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5.8 | -175.5 | -50.5 | -0.5 | 0 | 0 | 0 | 111.8 | P70 H74 | P70-N72 PolarHBondContact O-N 3.03Å; N72-H74 PolarHBondContact O-N 3.41Å |
| 73 | L | 55.3 | Low | 72.2 | Confident | 86 Ų | 86 | 87 Ų | 87 | 45% | 0.45 | 45% | 0.449 | S | S | . | . | trans | -103.7 | 69.2 | -176.1 | -68.6 | 159.9 | 0 | 0 | 0 | 110.4 | P70 A71 G75 | P70-L73 HydrophobicContact CB-CD1 3.9Å; P70-L73 HydrophobicContact CG-CD1 3.6Å; P70-L73 PolarHBondContact O-N 2.77Å; P70-L73 VanDerWaalsContact O-N 3.17Å; A71-L73 VanDerWaalsContact C-N 3.33Å; L73-G75 VanDerWaalsContact C-N 3.25Å; L73-G75 PolarHBondContact O-N 2.96Å | ||
| 74 | H | 51.1 | Low | 71.9 | Confident | 160 Ų | 160 | 87.5 Ų | 87.5 | 74% | 0.741 | 45% | 0.448 | S | S | * | . | trans | -87.9 | 65.3 | 167.5 | -72.9 | 70.1 | 0 | 0 | 0 | 109.5 | A71 N72 | A71-H74 PolarHBondContact O-CE1 3.14Å; A71-H74 PolarHBondContact O-ND1 3.49Å; N72-H74 PolarHBondContact O-N 3.41Å | ||
| 75 | G | 49 | Very low | 71.8 | Confident | 48 Ų | 48 | 88.6 Ų | 88.6 | 50% | 0.495 | 45% | 0.451 | S | S | . | . | trans | -119.9 | 134.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L73 Q77 | L73-G75 VanDerWaalsContact C-N 3.25Å; L73-G75 PolarHBondContact O-N 2.96Å; G75-Q77 PolarHBondContact O-N 3.11Å | ||
| 76 | D | 48.1 | Very low | 71.8 | Confident | 179 Ų | 179 | 85 Ų | 85 | 96% | 0.957 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -61.9 | 17.1 | -175.5 | -159.3 | 26.7 | 0 | 0 | 0 | 115.7 | ||
| 77 | Q | 54.6 | Low | 71.9 | Confident | 155 Ų | 155 | 86.7 Ų | 86.7 | 72% | 0.724 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -96.4 | 130.5 | 174 | -70 | -173.8 | 3 | 0 | 0 | 109.3 | G75 Q79 | G75-Q77 PolarHBondContact O-N 3.11Å; Q77-Q79 HydrophobicContact CB-CG 4.5Å; Q77-Q79 PolarHBondContact O-N 3.27Å |
| 78 | R | 56.3 | Low | 72 | Confident | 253 Ų | 253 | 83.9 Ų | 83.9 | 96% | 0.955 | 42% | 0.421 | S | S | * | . | trans | -60.4 | 83.8 | 167.1 | -73.7 | -176.9 | 179.7 | -177.4 | -0.4 | 109.2 | ||||
| 79 | Q | 64 | Low | 72.3 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 140 | 173.3 | -72.3 | -174.3 | 0.9 | 0 | 0 | 108.6 | F69 Q77 | F69-Q79 HydrophobicContact CD1-CB 4.26Å; F69-Q79 HydrophobicContact CE1-CB 3.77Å; F69-Q79 WeakPolarHBondContact CE1-O 3.15Å; F69-Q79 WeakPolarHBondContact CZ-O 3.44Å; Q77-Q79 HydrophobicContact CB-CG 4.5Å; Q77-Q79 PolarHBondContact O-N 3.27Å |
| 80 | V | 71.6 | Confident | 72.9 | Confident | 120 Ų | 120 | 97.2 Ų | 97.2 | 73% | 0.727 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 130.6 | 172.3 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | ||
| 81 | P | 79.8 | Confident | 74.3 | Confident | 14 Ų | 14 | 98.3 Ų | 98.3 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -59 | 140.9 | 177.5 | 27.2 | -35.1 | 0 | 0 | 0 | 110 | C48 R49 F68 F69 V86 | C48-P81 WeakPolarHBondContact O-CG 3.42Å; R49-P81 WeakPolarHBondContact O-CD 3.1Å; F68-P81 HydrophobicContact CB-CB 3.9Å; F69-P81 HydrophobicContact CE1-CB 4.29Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.82Å; P81-V86 HydrophobicContact CG-CB 4.33Å; P81-V86 HydrophobicContact CG-CG2 3.84Å |
| 82 | S | 84.7 | Confident | 75.9 | Confident | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 160.8 | 177.6 | 75.3 | 0 | 0 | 0 | 0 | 110.7 | E84 Y85 V86 | S82-E84 PolarHBondContact O-N 3.44Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 2.9Å; S82-Y85 PolarHBondContact O-N 2.91Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.34Å; S82-V86 PolarHBondContact O-N 3.43Å |
| 83 | R | 86.8 | Confident | 77.7 | Confident | 148 Ų | 148 | 100.2 Ų | 100.2 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -21 | 174.6 | -72.9 | -178.6 | 61.3 | 152.8 | 6.1 | 113.5 | Y85 V86 E89 | R83-Y85 VanDerWaalsContact C-N 3.32Å; R83-V86 WeakPolarHBondContact CA-O 3.44Å; R83-E89 IonicContact CZ-OE2 3.44Å; R83-E89 IonicContact NH1-OE1 3.98Å; R83-E89 IonicContact NH1-OE2 3.81Å; R83-E89 PolarHBondContact NH1-OE2 3.48Å; R83-E89 IonicContact NH2-OE2 3.09Å; R83-E89 PolarHBondContact NH2-OE2 3.36Å |
| 84 | E | 88.9 | Confident | 79.6 | Confident | 119 Ų | 119 | 98 Ų | 98 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -33.5 | 175.6 | -166.6 | -163.9 | 153.9 | 0 | 0 | 112 | S82 K98 | S82-E84 PolarHBondContact O-N 3.44Å; S82-E84 VanDerWaalsContact O-N 3.1Å; S82-E84 PolarHBondContact OG-N 2.9Å; E84-K98 IonicContact OE1-NZ 3.48Å; E84-K98 PolarHBondContact OE1-NZ 2.85Å |
| 85 | Y | 90.9 | Very high | 81.8 | Confident | 35 Ų | 35 | 90.4 Ų | 90.4 | 14% | 0.137 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -31.8 | -179 | -61.8 | -71.4 | 0 | 0 | 0 | 113 | F68 P70 S82 R83 L97 K98 P100 | F68-Y85 WeakPolarHBondContact O-CB 3.44Å; F68-Y85 WeakPolarHBondContact O-CD2 3.5Å; P70-Y85 HydrophobicContact CG-CE2 4.16Å; S82-Y85 PolarHBondContact O-N 2.91Å; S82-Y85 WeakPolarHBondContact OG-CD2 3.34Å; R83-Y85 VanDerWaalsContact C-N 3.32Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.31Å; Y85-K98 HydrophobicContact CD1-CB 4.33Å; Y85-K98 HydrophobicContact CD1-CD 4.36Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.31Å; Y85-K98 WeakPolarHBondContact CD1-O 3.39Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.84Å; Y85-P100 HydrophobicContact CE1-CG 3.97Å |
| 86 | V | 94.1 | Very high | 84.1 | Confident | 10 Ų | 10 | 90.3 Ų | 90.3 | 6% | 0.061 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 109.7 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 109.6 | C48 F68 P81 S82 R83 F88 V95 L97 | C48-V86 HydrophobicContact CB-CG1 4.14Å; F68-V86 HydrophobicContact CB-CG2 3.75Å; F68-V86 HydrophobicContact CD1-CG2 4.33Å; F68-V86 HydrophobicContact CD2-CG2 3.58Å; F68-V86 HydrophobicContact CE2-CG2 4.31Å; F68-V86 HydrophobicContact CG-CG2 3.63Å; P81-V86 HydrophobicContact CB-CB 4.46Å; P81-V86 HydrophobicContact CB-CG2 3.82Å; P81-V86 HydrophobicContact CG-CB 4.33Å; P81-V86 HydrophobicContact CG-CG2 3.84Å; S82-V86 PolarHBondContact O-N 3.43Å; R83-V86 WeakPolarHBondContact CA-O 3.44Å; V86-F88 HydrophobicContact CG1-CD2 3.97Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4Å; V86-V95 HydrophobicContact CG1-CG2 3.93Å; V86-L97 HydrophobicContact CB-CD2 4.22Å; V86-L97 HydrophobicContact CG1-CD2 3.88Å; V86-L97 HydrophobicContact CG2-CD2 3.88Å |
| 87 | D | 94.4 | Very high | 86.3 | Confident | 35 Ų | 35 | 82 Ų | 82 | 19% | 0.187 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 107.8 | -177.9 | -165.5 | -15 | 0 | 0 | 0 | 111.5 | E89 R90 V95 Y96 | D87-E89 PolarHBondContact OD1-N 3.47Å; D87-R90 HydrophobicContact CB-CB 4.42Å; D87-R90 PolarHBondContact OD1-N 3.23Å; D87-V95 WeakPolarHBondContact O-CA 3.47Å; D87-Y96 PolarHBondContact N-O 3.08Å; D87-Y96 PolarHBondContact O-N 3.32Å |
| 88 | F | 93.7 | Very high | 88.3 | Confident | 57 Ų | 57 | 76.3 Ų | 76.3 | 25% | 0.25 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -91.4 | -12.5 | 173.7 | -66.6 | -83.6 | 0 | 0 | 0 | 113.2 | Q45 C48 R49 V86 V95 L116 | Q45-F88 HydrophobicContact CG-CE1 4.46Å; C48-F88 HydrophobicContact CB-CZ 3.79Å; R49-F88 HydrophobicContact CG-CE2 3.99Å; R49-F88 HydrophobicContact CG-CZ 4.25Å; V86-F88 HydrophobicContact CG1-CD2 3.97Å; V86-F88 HydrophobicContact CG1-CE2 3.41Å; V86-F88 VanDerWaalsContact CG1-CE2 3.41Å; V86-F88 HydrophobicContact CG1-CZ 4Å; F88-V95 HydrophobicContact CD1-CB 3.78Å; F88-V95 HydrophobicContact CD1-CG2 3.7Å; F88-V95 HydrophobicContact CD2-CG2 4.34Å; F88-V95 HydrophobicContact CE1-CB 3.81Å; F88-V95 HydrophobicContact CE1-CG1 4.49Å; F88-V95 HydrophobicContact CE1-CG2 3.62Å; F88-V95 HydrophobicContact CE2-CG2 4.28Å; F88-V95 HydrophobicContact CG-CG2 4.08Å; F88-V95 HydrophobicContact CZ-CG2 3.93Å; F88-L116 HydrophobicContact CD1-CD1 4.31Å; F88-L116 HydrophobicContact CD1-CD2 4.38Å; F88-L116 HydrophobicContact CE1-CD2 4.09Å |
| 89 | E | 92.9 | Very high | 90 | Very high | 140 Ų | 140 | 64.3 Ų | 64.3 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -95.2 | -19.2 | -173 | -67.4 | -176.1 | -172.2 | 0 | 0 | 112.2 | R83 D87 E91 | R83-E89 IonicContact CZ-OE2 3.44Å; R83-E89 IonicContact NH1-OE1 3.98Å; R83-E89 IonicContact NH1-OE2 3.81Å; R83-E89 PolarHBondContact NH1-OE2 3.48Å; R83-E89 IonicContact NH2-OE2 3.09Å; R83-E89 PolarHBondContact NH2-OE2 3.36Å; D87-E89 PolarHBondContact OD1-N 3.47Å; E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.42Å |
| 90 | R | 93.2 | Very high | 91.4 | Very high | 171 Ų | 171 | 61.5 Ų | 61.5 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -57.9 | -40.1 | -179.3 | -177.7 | 167.3 | 177.6 | -177.4 | 1.3 | 114 | D87 Y96 | D87-R90 HydrophobicContact CB-CB 4.42Å; D87-R90 PolarHBondContact OD1-N 3.23Å; R90-Y96 HydrophobicContact CB-CD2 3.78Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.47Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.8Å; R90-Y96 HydrophobicContact CG-CG 4.37Å |
| 91 | E | 94.5 | Very high | 92.3 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -150.1 | 132.5 | 177.9 | -166.2 | -179.9 | 147.7 | 0 | 0 | 110.4 | E89 G93 K94 Y96 | E89-E91 VanDerWaalsContact C-N 3.33Å; E89-E91 PolarHBondContact O-N 3.42Å; E91-G93 PolarHBondContact O-N 3.4Å; E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.36Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-K94 WeakPolarHBondContact OE1-CD 3.4Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; E91-K94 IonicContact OE2-NZ 3.31Å; E91-Y96 HydrophobicContact CB-CE2 3.77Å; E91-Y96 PolarHBondContact OE2-OH 2.8Å |
| 92 | T | 93.6 | Very high | 92.8 | Very high | 137 Ų | 137 | 58.9 Ų | 58.9 | 84% | 0.84 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 130.2 | -177.2 | 49.1 | 0 | 0 | 0 | 0 | 111.2 | K94 | T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.42Å |
| 93 | G | 93.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 40% | 0.402 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 0.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E91 L116 | E91-G93 PolarHBondContact O-N 3.4Å; G93-L116 WeakPolarHBondContact O-CB 3.49Å; G93-L116 WeakPolarHBondContact O-CG 3.07Å; G93-L116 PolarHBondContact O-N 2.97Å |
| 94 | K | 96.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 159.3 | 174.3 | -66.3 | 176.9 | -174.8 | 168.5 | 0 | 111.3 | E91 T92 W113 I114 | E91-K94 HydrophobicContact CB-CB 4.43Å; E91-K94 HydrophobicContact CG-CD 4.36Å; E91-K94 PolarHBondContact O-N 2.85Å; E91-K94 WeakPolarHBondContact OE1-CD 3.4Å; E91-K94 WeakPolarHBondContact OE1-CE 3.44Å; E91-K94 IonicContact OE1-NZ 2.74Å; E91-K94 PolarHBondContact OE1-NZ 3.03Å; E91-K94 IonicContact OE2-NZ 3.31Å; T92-K94 VanDerWaalsContact C-N 3.29Å; T92-K94 PolarHBondContact O-N 3.42Å; K94-W113 HydrophobicContact CD-CD2 4.05Å; K94-W113 HydrophobicContact CD-CE3 3.48Å; K94-W113 VanDerWaalsContact CD-CE3 3.48Å; K94-W113 HydrophobicContact CD-CZ3 3.76Å; K94-W113 VanDerWaalsContact CE-CZ3 3.48Å; K94-W113 HydrophobicContact CG-CE3 3.97Å; K94-W113 HydrophobicContact CG-CZ3 4.28Å; K94-I114 CarbonylContact C-O 3.58Å; K94-I114 VanDerWaalsContact CA-O 3.3Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å |
| 95 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.9 | 167.8 | 61.8 | 0 | 0 | 0 | 0 | 109 | F44 V86 D87 F88 L97 W113 I114 L116 | F44-V95 HydrophobicContact CE1-CG1 3.6Å; F44-V95 HydrophobicContact CZ-CG1 3.72Å; V86-V95 HydrophobicContact CG1-CG2 3.93Å; D87-V95 WeakPolarHBondContact O-CA 3.47Å; F88-V95 HydrophobicContact CD1-CB 3.78Å; F88-V95 HydrophobicContact CD1-CG2 3.7Å; F88-V95 HydrophobicContact CD2-CG2 4.34Å; F88-V95 HydrophobicContact CE1-CB 3.81Å; F88-V95 HydrophobicContact CE1-CG1 4.49Å; F88-V95 HydrophobicContact CE1-CG2 3.62Å; F88-V95 HydrophobicContact CE2-CG2 4.28Å; F88-V95 HydrophobicContact CG-CG2 4.08Å; F88-V95 HydrophobicContact CZ-CG2 3.93Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.48Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.7Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; V95-W113 CarbonylContact O-C 3.59Å; V95-W113 WeakPolarHBondContact O-CA 3.38Å; V95-I114 HydrophobicContact CG1-CB 4.23Å; V95-I114 PolarHBondContact N-O 3.44Å; V95-I114 PolarHBondContact O-N 3.48Å; V95-L116 HydrophobicContact CB-CD2 4.08Å; V95-L116 HydrophobicContact CG1-CD2 3.88Å |
| 96 | Y | 96.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 133.9 | 171.4 | -72.8 | -103.6 | 0 | 0 | 0 | 109 | D87 R90 E91 G112 W113 | D87-Y96 PolarHBondContact N-O 3.08Å; D87-Y96 PolarHBondContact O-N 3.32Å; R90-Y96 HydrophobicContact CB-CD2 3.78Å; R90-Y96 HydrophobicContact CB-CE2 4.11Å; R90-Y96 HydrophobicContact CB-CG 4.47Å; R90-Y96 HydrophobicContact CG-CD2 3.83Å; R90-Y96 HydrophobicContact CG-CE2 3.8Å; R90-Y96 HydrophobicContact CG-CG 4.37Å; E91-Y96 HydrophobicContact CB-CE2 3.77Å; E91-Y96 PolarHBondContact OE2-OH 2.8Å; Y96-G112 WeakPolarHBondContact CA-O 3.31Å; Y96-W113 HydrophobicContact CD1-CB 3.8Å; Y96-W113 HydrophobicContact CD2-CB 4.27Å; Y96-W113 HydrophobicContact CE1-CB 3.85Å; Y96-W113 HydrophobicContact CE1-CG 4.17Å; Y96-W113 HydrophobicContact CE2-CB 4.31Å; Y96-W113 HydrophobicContact CG-CB 4.02Å |
| 97 | L | 95.6 | Very high | 93 | Very high | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.5 | -168.7 | -65.3 | 173.5 | 0 | 0 | 0 | 109.1 | F44 F68 Y85 V86 V95 W110 R111 G112 I114 | F44-L97 HydrophobicContact CZ-CD1 4.17Å; F68-L97 HydrophobicContact CE1-CB 4.05Å; F68-L97 HydrophobicContact CE1-CD1 4.46Å; F68-L97 HydrophobicContact CE1-CD2 4.05Å; F68-L97 HydrophobicContact CE1-CG 4.41Å; F68-L97 HydrophobicContact CE2-CD2 4.09Å; F68-L97 HydrophobicContact CZ-CB 4.4Å; F68-L97 HydrophobicContact CZ-CD1 4.01Å; F68-L97 HydrophobicContact CZ-CD2 3.79Å; F68-L97 HydrophobicContact CZ-CG 4.29Å; Y85-L97 CarbonylContact O-C 3.55Å; Y85-L97 VanDerWaalsContact O-CA 3.31Å; Y85-L97 WeakPolarHBondContact O-CA 3.31Å; V86-L97 HydrophobicContact CB-CD2 4.22Å; V86-L97 HydrophobicContact CG1-CD2 3.88Å; V86-L97 HydrophobicContact CG2-CD2 3.88Å; V95-L97 HydrophobicContact CG1-CD1 4.18Å; V95-L97 HydrophobicContact CG1-CD2 4.48Å; V95-L97 HydrophobicContact CG1-CG 4.2Å; V95-L97 HydrophobicContact CG2-CD2 3.7Å; V95-L97 HydrophobicContact CG2-CG 4.06Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.45Å; L97-W110 HydrophobicContact CD1-CZ3 4.47Å; L97-R111 WeakPolarHBondContact O-CA 3.31Å; L97-G112 PolarHBondContact N-O 2.75Å; L97-G112 PolarHBondContact O-N 2.89Å; L97-I114 HydrophobicContact CD1-CD1 4.18Å |
| 98 | K | 95 | Very high | 93 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.1 | 174.8 | 177.3 | -173.2 | 176.5 | -173.4 | 0 | 107.9 | F68 E84 Y85 I109 W110 R111 | F68-K98 WeakPolarHBondContact CD1-O 3.28Å; E84-K98 IonicContact OE1-NZ 3.48Å; E84-K98 PolarHBondContact OE1-NZ 2.85Å; Y85-K98 HydrophobicContact CD1-CB 4.33Å; Y85-K98 HydrophobicContact CD1-CD 4.36Å; Y85-K98 HydrophobicContact CD1-CG 4.23Å; Y85-K98 VanDerWaalsContact CD1-O 3.31Å; Y85-K98 WeakPolarHBondContact CD1-O 3.39Å; Y85-K98 HydrophobicContact CE1-CD 4.49Å; Y85-K98 PolarHBondContact O-N 2.84Å; K98-I109 HydrophobicContact CD-CG2 4.33Å; K98-I109 HydrophobicContact CG-CG2 3.61Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.43Å; K98-R111 HydrophobicContact CG-CG 4.41Å |
| 99 | A | 93.8 | Very high | 93.1 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 109.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | L66 Q67 F68 W110 | L66-A99 HydrophobicContact CB-CB 4.01Å; L66-A99 HydrophobicContact CD2-CB 4.08Å; L66-A99 HydrophobicContact CG-CB 4.46Å; Q67-A99 WeakPolarHBondContact O-CB 3.44Å; F68-A99 HydrophobicContact CD1-CB 3.91Å; F68-A99 HydrophobicContact CE1-CB 4.03Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.38Å; A99-W110 PolarHBondContact N-O 2.93Å; A99-W110 PolarHBondContact O-N 3.34Å |
| 100 | P | 92.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 126.9 | 177.7 | 34.3 | -34.1 | 0 | 0 | 0 | 110.6 | Y85 I109 R131 | Y85-P100 HydrophobicContact CE1-CG 3.97Å; P100-I109 HydrophobicContact CB-CG1 4.48Å; P100-R131 PolarHBondContact O-NH1 2.87Å |
| 101 | M | 90.2 | Very high | 93.4 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 18% | 0.177 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 166.5 | -177 | 70.2 | -168.8 | -36.2 | 0 | 0 | 113.3 | L64 S65 L66 V108 | L64-M101 HydrophobicContact CD1-SD 4.49Å; S65-M101 WeakPolarHBondContact O-CE 3.33Å; L66-M101 HydrophobicContact CD2-SD 4.41Å; M101-V108 HydrophobicContact CG-CG2 3.75Å; M101-V108 PolarHBondContact N-O 3.08Å; M101-V108 PolarHBondContact O-N 2.67Å |
| 102 | I | 90.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.8 | 170.7 | -59.1 | 172.9 | 0 | 0 | 0 | 106.7 | R3 V4 V106 E135 | R3-I102 HydrophobicContact CB-CD1 4.43Å; V4-I102 HydrophobicContact CG1-CD1 4.23Å; V4-I102 HydrophobicContact CG1-CG2 4.26Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; I102-E135 HydrophobicContact CD1-CG 4.33Å |
| 103 | L | 90.8 | Very high | 93.7 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 13% | 0.126 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.5 | -178.4 | -171.8 | 61.7 | 0 | 0 | 0 | 108.7 | F17 F18 L64 G105 V106 V108 L125 | F17-L103 HydrophobicContact CE1-CD2 3.63Å; F17-L103 HydrophobicContact CE1-CG 4.09Å; F17-L103 HydrophobicContact CZ-CD2 3.97Å; F18-L103 HydrophobicContact CE1-CB 4.23Å; F18-L103 HydrophobicContact CE1-CD2 4.02Å; F18-L103 HydrophobicContact CE1-CG 4.25Å; F18-L103 HydrophobicContact CZ-CB 4.44Å; F18-L103 HydrophobicContact CZ-CG 4.45Å; F18-L103 WeakPolarHBondContact CZ-O 3.16Å; L64-L103 HydrophobicContact CD2-CD1 4.29Å; L64-L103 HydrophobicContact CD2-CD2 4.38Å; L103-G105 PolarHBondContact O-N 2.67Å; L103-V106 PolarHBondContact N-O 2.69Å; L103-V106 PolarHBondContact O-N 2.86Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; L103-L125 HydrophobicContact CD2-CD1 3.79Å |
| 104 | N | 88.4 | Confident | 93.9 | Very high | 91 Ų | 91 | 24.9 Ų | 24.9 | 49% | 0.487 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 33.4 | -177 | -61 | -23.9 | 0 | 0 | 0 | 114.1 | K11 F18 | K11-N104 PolarHBondContact NZ-O 2.69Å; F18-N104 HydrophobicContact CZ-CB 4.29Å |
| 105 | G | 87.1 | Confident | 94 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 10.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V4 V5 L103 | V4-G105 CarbonylContact C-O 3.57Å; V4-G105 VanDerWaalsContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CA-O 3.26Å; V4-G105 WeakPolarHBondContact CB-O 3.46Å; V5-G105 WeakPolarHBondContact CG2-O 2.99Å; V5-G105 PolarHBondContact N-O 2.64Å; L103-G105 PolarHBondContact O-N 2.67Å |
| 106 | V | 92.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.5 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.2 | V5 Q8 K11 F12 F18 I102 L103 V108 Y127 | V5-V106 HydrophobicContact CG2-CG2 4.22Å; Q8-V106 HydrophobicContact CB-CG1 4.29Å; K11-V106 HydrophobicContact CB-CG2 4.07Å; K11-V106 HydrophobicContact CD-CG2 3.76Å; K11-V106 HydrophobicContact CG-CG2 4.04Å; F12-V106 HydrophobicContact CB-CG1 4.01Å; F12-V106 HydrophobicContact CD2-CG1 4.14Å; F18-V106 HydrophobicContact CE1-CB 4.36Å; F18-V106 HydrophobicContact CE2-CB 4.3Å; F18-V106 HydrophobicContact CE2-CG2 3.84Å; F18-V106 HydrophobicContact CZ-CB 3.82Å; F18-V106 HydrophobicContact CZ-CG1 4.45Å; F18-V106 HydrophobicContact CZ-CG2 3.85Å; I102-V106 WeakPolarHBondContact CA-O 3.39Å; L103-V106 PolarHBondContact N-O 2.69Å; L103-V106 PolarHBondContact O-N 2.86Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.8Å; V106-Y127 HydrophobicContact CG1-CD2 3.96Å; V106-Y127 HydrophobicContact CG1-CE2 3.97Å |
| 107 | C | 92.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 117.9 | 171 | -66.6 | 0 | 0 | 0 | 0 | 110 | Q8 D128 R131 A132 | Q8-C107 PolarHBondContact OE1-SG 3.06Å; C107-D128 HydrophobicContact CB-CB 4.1Å; C107-D128 PolarHBondContact O-N 2.84Å; C107-D128 VanDerWaalsContact O-N 3.08Å; C107-R131 HydrophobicContact CB-CB 4.33Å; C107-R131 HydrophobicContact CB-CG 4.39Å; C107-A132 HydrophobicContact CB-CB 4.02Å |
| 108 | V | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.2 | -179 | -62 | 0 | 0 | 0 | 0 | 110.8 | F12 F18 M101 L103 V106 L125 E126 | F12-V108 HydrophobicContact CD2-CG1 3.7Å; F12-V108 HydrophobicContact CE2-CG1 3.65Å; F18-V108 HydrophobicContact CD1-CG1 4.36Å; F18-V108 HydrophobicContact CE1-CG1 3.98Å; M101-V108 HydrophobicContact CG-CG2 3.75Å; M101-V108 PolarHBondContact N-O 3.08Å; M101-V108 PolarHBondContact O-N 2.67Å; L103-V108 HydrophobicContact CB-CG2 3.91Å; V106-V108 HydrophobicContact CB-CG1 4.39Å; V106-V108 HydrophobicContact CG1-CG1 3.83Å; V106-V108 PolarHBondContact O-N 2.8Å; V108-L125 HydrophobicContact CG2-CD2 4.17Å; V108-E126 CarbonylContact C-O 3.47Å; V108-E126 WeakPolarHBondContact CA-O 3.42Å; V108-E126 WeakPolarHBondContact CB-O 3.34Å |
| 109 | I | 95.4 | Very high | 94 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.097 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.1 | 169.1 | -54.5 | 179 | 0 | 0 | 0 | 107.5 | K98 P100 R111 E126 D128 | K98-I109 HydrophobicContact CD-CG2 4.33Å; K98-I109 HydrophobicContact CG-CG2 3.61Å; P100-I109 HydrophobicContact CB-CG1 4.48Å; I109-R111 HydrophobicContact CG2-CG 4.01Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.44Å; I109-D128 HydrophobicContact CD1-CB 4.23Å; I109-D128 HydrophobicContact CG1-CB 3.8Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.5Å |
| 110 | W | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.5 | 166.4 | -177 | 95 | 0 | 0 | 0 | 109.3 | I27 V55 F57 L66 L97 K98 A99 L125 | I27-W110 HydrophobicContact CD1-CH2 3.89Å; I27-W110 HydrophobicContact CD1-CZ2 3.51Å; V55-W110 HydrophobicContact CG2-CZ2 3.88Å; F57-W110 AromaticContact CE2-CD1 3.9Å; F57-W110 AromaticContact CE2-NE1 3.68Å; F57-W110 AromaticContact CZ-CD1 3.79Å; F57-W110 AromaticContact CZ-NE1 3.5Å; L66-W110 HydrophobicContact CD1-CD2 3.7Å; L66-W110 HydrophobicContact CD1-CE3 3.48Å; L66-W110 VanDerWaalsContact CD1-CE3 3.48Å; L66-W110 HydrophobicContact CD1-CG 4.49Å; L66-W110 HydrophobicContact CD1-CH2 3.72Å; L66-W110 HydrophobicContact CD1-CZ2 3.91Å; L66-W110 HydrophobicContact CD1-CZ3 3.5Å; L66-W110 HydrophobicContact CD2-CB 4.1Å; L66-W110 HydrophobicContact CD2-CD2 3.92Å; L66-W110 HydrophobicContact CD2-CE3 4.26Å; L66-W110 HydrophobicContact CD2-CG 3.84Å; L66-W110 HydrophobicContact CG-CD2 4.49Å; L97-W110 HydrophobicContact CB-CH2 4.14Å; L97-W110 HydrophobicContact CB-CZ3 3.51Å; L97-W110 HydrophobicContact CD1-CH2 4.45Å; L97-W110 HydrophobicContact CD1-CZ3 4.47Å; K98-W110 CarbonylContact C-O 3.45Å; K98-W110 WeakPolarHBondContact CA-O 3.43Å; A99-W110 HydrophobicContact CB-CB 4.38Å; A99-W110 HydrophobicContact CB-CE3 4.38Å; A99-W110 PolarHBondContact N-O 2.93Å; A99-W110 PolarHBondContact O-N 3.34Å; W110-L125 HydrophobicContact CB-CD2 3.7Å; W110-L125 HydrophobicContact CG-CD2 4.09Å |
| 111 | R | 96.5 | Very high | 94.4 | Very high | 89 Ų | 89 | 37 Ų | 37 | 34% | 0.336 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.1 | 173.8 | -64.7 | -169.3 | -176.5 | -136.3 | 6.2 | 109.9 | L97 K98 I109 G123 Y124 E126 | L97-R111 WeakPolarHBondContact O-CA 3.31Å; K98-R111 HydrophobicContact CG-CG 4.41Å; I109-R111 HydrophobicContact CG2-CG 4.01Å; R111-G123 CarbonylContact O-C 3.58Å; R111-G123 WeakPolarHBondContact O-CA 3.21Å; R111-Y124 HydrophobicContact CB-CE1 4.2Å; R111-Y124 HydrophobicContact CB-CE2 4.37Å; R111-Y124 PolarHBondContact N-O 3Å; R111-Y124 PolarHBondContact O-N 3.08Å; R111-E126 WeakPolarHBondContact CD-OE2 3.45Å; R111-E126 IonicContact CZ-OE2 3.68Å; R111-E126 IonicContact NE-OE1 2.67Å; R111-E126 IonicContact NE-OE2 2.69Å; R111-E126 PolarHBondContact NE-OE2 2.83Å; R111-E126 IonicContact NH2-OE2 3.6Å; R111-E126 PolarHBondContact NH2-OE2 3.38Å |
| 112 | G | 96.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y96 L97 M122 | Y96-G112 WeakPolarHBondContact CA-O 3.31Å; L97-G112 PolarHBondContact N-O 2.75Å; L97-G112 PolarHBondContact O-N 2.89Å; G112-M122 CarbonylContact C-O 3.6Å; G112-M122 WeakPolarHBondContact CA-O 3.14Å |
| 113 | W | 97.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.5 | 169.9 | 61.8 | -93 | 0 | 0 | 0 | 109.9 | K94 V95 Y96 D115 G121 M122 | K94-W113 HydrophobicContact CD-CD2 4.05Å; K94-W113 HydrophobicContact CD-CE3 3.48Å; K94-W113 VanDerWaalsContact CD-CE3 3.48Å; K94-W113 HydrophobicContact CD-CZ3 3.76Å; K94-W113 VanDerWaalsContact CE-CZ3 3.48Å; K94-W113 HydrophobicContact CG-CE3 3.97Å; K94-W113 HydrophobicContact CG-CZ3 4.28Å; V95-W113 CarbonylContact O-C 3.59Å; V95-W113 WeakPolarHBondContact O-CA 3.38Å; Y96-W113 HydrophobicContact CD1-CB 3.8Å; Y96-W113 HydrophobicContact CD2-CB 4.27Å; Y96-W113 HydrophobicContact CE1-CB 3.85Å; Y96-W113 HydrophobicContact CE1-CG 4.17Å; Y96-W113 HydrophobicContact CE2-CB 4.31Å; Y96-W113 HydrophobicContact CG-CB 4.02Å; W113-D115 HydrophobicContact CZ3-CB 4.42Å; W113-G121 VanDerWaalsContact O-CA 3.32Å; W113-G121 WeakPolarHBondContact O-CA 3.49Å; W113-M122 HydrophobicContact CH2-CG 4.49Å; W113-M122 HydrophobicContact CZ2-CB 4.18Å; W113-M122 HydrophobicContact CZ2-CG 3.67Å; W113-M122 PolarHBondContact N-O 3.48Å; W113-M122 PolarHBondContact O-N 2.81Å; W113-M122 VanDerWaalsContact O-N 3.08Å |
| 114 | I | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.2 | 176.6 | -69.1 | 171.1 | 0 | 0 | 0 | 109.1 | I27 F44 V55 K94 V95 L97 D120 | I27-I114 HydrophobicContact CD1-CD1 4.09Å; I27-I114 HydrophobicContact CD1-CG1 3.73Å; I27-I114 HydrophobicContact CG1-CG1 4.35Å; F44-I114 HydrophobicContact CE1-CB 4.15Å; F44-I114 HydrophobicContact CE1-CG2 3.68Å; F44-I114 HydrophobicContact CE2-CD1 3.83Å; F44-I114 HydrophobicContact CE2-CG2 4.46Å; F44-I114 HydrophobicContact CZ-CB 3.76Å; F44-I114 HydrophobicContact CZ-CD1 3.64Å; F44-I114 HydrophobicContact CZ-CG1 4.28Å; F44-I114 HydrophobicContact CZ-CG2 3.62Å; V55-I114 HydrophobicContact CG1-CD1 3.69Å; K94-I114 CarbonylContact C-O 3.58Å; K94-I114 VanDerWaalsContact CA-O 3.3Å; K94-I114 WeakPolarHBondContact CA-O 3.45Å; V95-I114 HydrophobicContact CG1-CB 4.23Å; V95-I114 PolarHBondContact N-O 3.44Å; V95-I114 PolarHBondContact O-N 3.48Å; L97-I114 HydrophobicContact CD1-CD1 4.18Å; I114-D120 CarbonylContact C-O 3.59Å; I114-D120 WeakPolarHBondContact CA-O 3.27Å |
| 115 | D | 97.7 | Very high | 95.7 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.5 | 169.7 | -174.8 | -66.2 | 0 | 0 | 0 | 110.2 | W113 Q117 R118 L119 D120 | W113-D115 HydrophobicContact CZ3-CB 4.42Å; D115-Q117 PolarHBondContact O-N 2.83Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.44Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.26Å; D115-Q117 PolarHBondContact OD1-N 3.07Å; D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 3.07Å; D115-L119 WeakPolarHBondContact O-CA 3.42Å; D115-L119 PolarHBondContact O-N 3.4Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 2.83Å |
| 116 | L | 95.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 36 Ų | 36 | 15% | 0.152 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.6 | -175.1 | -64.2 | 178.2 | 0 | 0 | 0 | 113.1 | Q41 F44 Q45 F88 G93 V95 | Q41-L116 WeakPolarHBondContact CG-O 3.45Å; F44-L116 HydrophobicContact CD1-CD2 4.27Å; F44-L116 HydrophobicContact CE1-CD2 3.98Å; Q45-L116 HydrophobicContact CG-CD2 3.92Å; F88-L116 HydrophobicContact CD1-CD1 4.31Å; F88-L116 HydrophobicContact CD1-CD2 4.38Å; F88-L116 HydrophobicContact CE1-CD2 4.09Å; G93-L116 WeakPolarHBondContact O-CB 3.49Å; G93-L116 WeakPolarHBondContact O-CG 3.07Å; G93-L116 PolarHBondContact O-N 2.97Å; V95-L116 HydrophobicContact CB-CD2 4.08Å; V95-L116 HydrophobicContact CG1-CD2 3.88Å |
| 117 | Q | 95.1 | Very high | 96.2 | Very high | 142 Ų | 142 | 38.3 Ų | 38.3 | 66% | 0.664 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -45.5 | 176.9 | -66.1 | -172.4 | -3.3 | 0 | 0 | 111.2 | H37 Q41 D115 | H37-Q117 PolarHBondContact CE1-O 2.85Å; H37-Q117 VanDerWaalsContact CE1-O 3.3Å; H37-Q117 PolarHBondContact NE2-O 3.01Å; Q41-Q117 PolarHBondContact NE2-O 2.85Å; D115-Q117 PolarHBondContact O-N 2.83Å; D115-Q117 WeakPolarHBondContact OD1-CA 3.44Å; D115-Q117 WeakPolarHBondContact OD1-CB 3.26Å; D115-Q117 PolarHBondContact OD1-N 3.07Å |
| 118 | R | 96.2 | Very high | 96.3 | Very high | 162 Ų | 162 | 39.1 Ų | 39.1 | 61% | 0.611 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -22.6 | -173.9 | -65.7 | 172.5 | 53 | 175.3 | -2.9 | 113.7 | D115 D120 | D115-R118 HydrophobicContact CB-CB 4.14Å; D115-R118 PolarHBondContact OD1-N 3.07Å; R118-D120 VanDerWaalsContact CB-OD1 3.26Å; R118-D120 WeakPolarHBondContact CB-OD1 3.46Å; R118-D120 IonicContact CZ-OD1 2.74Å; R118-D120 IonicContact CZ-OD2 3.42Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 3.22Å; R118-D120 PolarHBondContact NE-OD1 3.12Å; R118-D120 VanDerWaalsContact NE-OD1 3.09Å; R118-D120 IonicContact NE-OD2 2.68Å; R118-D120 PolarHBondContact NE-OD2 3.36Å; R118-D120 VanDerWaalsContact NE-OD2 3.1Å; R118-D120 IonicContact NH2-OD1 3.82Å; R118-D120 PolarHBondContact NH2-OD1 2.86Å; R118-D120 IonicContact NH2-OD2 3.35Å; R118-D120 PolarHBondContact NH2-OD2 3.37Å; R118-D120 PolarHBondContact O-N 3.05Å |
| 119 | L | 96.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 60.1 | 28.9 | -174.9 | -53.7 | 178 | 0 | 0 | 0 | 113.1 | Y29 R40 Q41 F44 D115 | Y29-L119 HydrophobicContact CD1-CD1 4.13Å; Y29-L119 PolarHBondContact N-O 2.8Å; R40-L119 HydrophobicContact CB-CD1 3.65Å; Q41-L119 HydrophobicContact CG-CD1 4.11Å; Q41-L119 HydrophobicContact CG-CD2 4.24Å; Q41-L119 HydrophobicContact CG-CG 4.2Å; F44-L119 HydrophobicContact CB-CD2 3.98Å; F44-L119 HydrophobicContact CD1-CD2 3.72Å; F44-L119 HydrophobicContact CE1-CD2 4.48Å; F44-L119 HydrophobicContact CG-CD2 3.97Å; D115-L119 WeakPolarHBondContact O-CA 3.42Å; D115-L119 PolarHBondContact O-N 3.4Å |
| 120 | D | 97.1 | Very high | 95.7 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 167.8 | 171.5 | 64.4 | 20.3 | 0 | 0 | 0 | 110.3 | I27 K28 I114 D115 R118 | I27-D120 CarbonylContact O-C 3.55Å; I27-D120 WeakPolarHBondContact O-CA 3.29Å; K28-D120 HydrophobicContact CG-CB 3.91Å; I114-D120 CarbonylContact C-O 3.59Å; I114-D120 WeakPolarHBondContact CA-O 3.27Å; D115-D120 WeakPolarHBondContact CB-O 3.46Å; D115-D120 PolarHBondContact N-O 2.83Å; R118-D120 VanDerWaalsContact CB-OD1 3.26Å; R118-D120 WeakPolarHBondContact CB-OD1 3.46Å; R118-D120 IonicContact CZ-OD1 2.74Å; R118-D120 IonicContact CZ-OD2 3.42Å; R118-D120 VanDerWaalsContact CZ-OD2 3.31Å; R118-D120 IonicContact NE-OD1 3.22Å; R118-D120 PolarHBondContact NE-OD1 3.12Å; R118-D120 VanDerWaalsContact NE-OD1 3.09Å; R118-D120 IonicContact NE-OD2 2.68Å; R118-D120 PolarHBondContact NE-OD2 3.36Å; R118-D120 VanDerWaalsContact NE-OD2 3.1Å; R118-D120 IonicContact NH2-OD1 3.82Å; R118-D120 PolarHBondContact NH2-OD1 2.86Å; R118-D120 IonicContact NH2-OD2 3.35Å; R118-D120 PolarHBondContact NH2-OD2 3.37Å; R118-D120 PolarHBondContact O-N 3.05Å |
| 121 | G | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174 | -152.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E26 I27 W113 | E26-G121 WeakPolarHBondContact CA-O 3.33Å; I27-G121 VanDerWaalsContact CG1-C 3.43Å; I27-G121 WeakPolarHBondContact CG1-O 3.11Å; I27-G121 PolarHBondContact N-O 3.46Å; I27-G121 PolarHBondContact O-N 3.14Å; W113-G121 VanDerWaalsContact O-CA 3.32Å; W113-G121 WeakPolarHBondContact O-CA 3.49Å |
| 122 | M | 97.7 | Very high | 94.8 | Very high | 53 Ų | 53 | 46.1 Ų | 46.1 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.3 | -179 | -57 | -64.1 | -74.1 | 0 | 0 | 111.1 | E24 C25 E26 G112 W113 | E24-M122 HydrophobicContact CG-CB 3.82Å; E24-M122 HydrophobicContact CG-CE 3.79Å; E24-M122 HydrophobicContact CG-CG 4.47Å; E24-M122 WeakPolarHBondContact OE1-CB 3.45Å; C25-M122 CarbonylContact O-C 3.48Å; C25-M122 WeakPolarHBondContact O-CA 3.49Å; E26-M122 HydrophobicContact CB-SD 4.28Å; G112-M122 CarbonylContact C-O 3.6Å; G112-M122 WeakPolarHBondContact CA-O 3.14Å; W113-M122 HydrophobicContact CH2-CG 4.49Å; W113-M122 HydrophobicContact CZ2-CB 4.18Å; W113-M122 HydrophobicContact CZ2-CG 3.67Å; W113-M122 PolarHBondContact N-O 3.48Å; W113-M122 PolarHBondContact O-N 2.81Å; W113-M122 VanDerWaalsContact O-N 3.08Å |
| 123 | G | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 166.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C25 F57 R111 | C25-G123 PolarHBondContact N-O 2.85Å; C25-G123 PolarHBondContact O-N 2.86Å; F57-G123 WeakPolarHBondContact CE1-O 3.25Å; R111-G123 CarbonylContact O-C 3.58Å; R111-G123 WeakPolarHBondContact O-CA 3.21Å |
| 124 | Y | 96.5 | Very high | 93.7 | Very high | 70 Ų | 70 | 53.5 Ų | 53.5 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 168 | 179.3 | 59.3 | -81.6 | 0 | 0 | 0 | 111.3 | L21 E24 R111 E126 | L21-Y124 CarbonylContact O-C 3.49Å; L21-Y124 VanDerWaalsContact O-CA 3.22Å; L21-Y124 WeakPolarHBondContact O-CA 3.43Å; E24-Y124 HydrophobicContact CG-CD1 4.42Å; R111-Y124 HydrophobicContact CB-CE1 4.2Å; R111-Y124 HydrophobicContact CB-CE2 4.37Å; R111-Y124 PolarHBondContact N-O 3Å; R111-Y124 PolarHBondContact O-N 3.08Å; Y124-E126 HydrophobicContact CD2-CG 3.86Å; Y124-E126 HydrophobicContact CE2-CG 3.47Å; Y124-E126 VanDerWaalsContact CE2-CG 3.47Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.5Å |
| 125 | L | 96 | Very high | 93.1 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.7 | 174 | -65.4 | -179.6 | 0 | 0 | 0 | 111.4 | F12 F18 L21 S22 L103 V108 W110 | F12-L125 HydrophobicContact CE2-CB 4.32Å; F18-L125 HydrophobicContact CD1-CD1 4.2Å; F18-L125 HydrophobicContact CE1-CD1 4.46Å; L21-L125 HydrophobicContact CB-CD1 3.68Å; L21-L125 HydrophobicContact CB-CG 4.02Å; L21-L125 HydrophobicContact CD1-CD1 3.84Å; L21-L125 HydrophobicContact CG-CD1 4.43Å; L21-L125 PolarHBondContact O-N 2.77Å; S22-L125 VanDerWaalsContact CA-O 3.3Å; S22-L125 WeakPolarHBondContact CA-O 3.41Å; L103-L125 HydrophobicContact CD2-CD1 3.79Å; V108-L125 HydrophobicContact CG2-CD2 4.17Å; W110-L125 HydrophobicContact CB-CD2 3.7Å; W110-L125 HydrophobicContact CG-CD2 4.09Å |
| 126 | E | 96 | Very high | 92.4 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 29% | 0.285 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.9 | 168.5 | -63.6 | -179 | 154.3 | 0 | 0 | 110 | V108 I109 R111 Y124 | V108-E126 CarbonylContact C-O 3.47Å; V108-E126 WeakPolarHBondContact CA-O 3.42Å; V108-E126 WeakPolarHBondContact CB-O 3.34Å; I109-E126 PolarHBondContact N-O 3.1Å; I109-E126 PolarHBondContact O-N 3.44Å; R111-E126 WeakPolarHBondContact CD-OE2 3.45Å; R111-E126 IonicContact CZ-OE2 3.68Å; R111-E126 IonicContact NE-OE1 2.67Å; R111-E126 IonicContact NE-OE2 2.69Å; R111-E126 PolarHBondContact NE-OE2 2.83Å; R111-E126 IonicContact NH2-OE2 3.6Å; R111-E126 PolarHBondContact NH2-OE2 3.38Å; Y124-E126 HydrophobicContact CD2-CG 3.86Å; Y124-E126 HydrophobicContact CE2-CG 3.47Å; Y124-E126 VanDerWaalsContact CE2-CG 3.47Å; Y124-E126 WeakPolarHBondContact CE2-OE1 3.5Å |
| 127 | Y | 94.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 55.9 Ų | 55.9 | 18% | 0.184 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 134 | 171.5 | -178.5 | -107.6 | 0 | 0 | 0 | 110.5 | Q8 R9 F12 V106 D129 A132 | Q8-Y127 HydrophobicContact CB-CE2 3.84Å; R9-Y127 HydrophobicContact CB-CE1 4.08Å; R9-Y127 HydrophobicContact CB-CE2 4.35Å; R9-Y127 HydrophobicContact CG-CE1 4.49Å; R9-Y127 PolarHBondContact N-OH 2.74Å; F12-Y127 HydrophobicContact CB-CD2 3.98Å; F12-Y127 HydrophobicContact CD1-CG 4.49Å; F12-Y127 HydrophobicContact CD2-CD2 4.36Å; F12-Y127 HydrophobicContact CG-CD2 4.05Å; F12-Y127 HydrophobicContact CG-CG 4.44Å; V106-Y127 HydrophobicContact CG1-CD2 3.96Å; V106-Y127 HydrophobicContact CG1-CE2 3.97Å; Y127-D129 HydrophobicContact CD1-CB 4.14Å; Y127-D129 HydrophobicContact CE1-CB 3.92Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.42Å; Y127-A132 HydrophobicContact CE1-CB 4.36Å; Y127-A132 HydrophobicContact CE2-CB 4.22Å; Y127-A132 WeakPolarHBondContact OH-CB 3.07Å |
| 128 | D | 93.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 53.5 Ų | 53.5 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | trans | -99 | 88.3 | 179.5 | -164.4 | -22.9 | 0 | 0 | 0 | 110 | C107 I109 R131 A132 | C107-D128 HydrophobicContact CB-CB 4.1Å; C107-D128 PolarHBondContact O-N 2.84Å; C107-D128 VanDerWaalsContact O-N 3.08Å; I109-D128 HydrophobicContact CD1-CB 4.23Å; I109-D128 HydrophobicContact CG1-CB 3.8Å; I109-D128 WeakPolarHBondContact CG1-OD2 3.5Å; D128-R131 HydrophobicContact CB-CB 4.03Å; D128-R131 VanDerWaalsContact OD1-CB 3.25Å; D128-R131 WeakPolarHBondContact OD1-CB 3.32Å; D128-R131 PolarHBondContact OD1-N 3.02Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.14Å; D128-A132 WeakPolarHBondContact O-CB 3.32Å; D128-A132 PolarHBondContact O-N 3.43Å | ||
| 129 | D | 89.6 | Confident | 90.5 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.2 | -43.1 | -174.9 | -164.3 | 77.2 | 0 | 0 | 0 | 112.4 | R9 Y127 R131 A132 Q133 | R9-D129 IonicContact CZ-OD1 2.8Å; R9-D129 IonicContact NE-OD1 3.1Å; R9-D129 IonicContact NH2-OD1 3.94Å; R9-D129 PolarHBondContact NH2-OD1 3.02Å; Y127-D129 HydrophobicContact CD1-CB 4.14Å; Y127-D129 HydrophobicContact CE1-CB 3.92Å; Y127-D129 WeakPolarHBondContact CE1-OD1 3.42Å; D129-R131 PolarHBondContact O-N 3.43Å; D129-A132 PolarHBondContact O-N 2.86Å; D129-Q133 WeakPolarHBondContact O-CG 3.41Å; D129-Q133 PolarHBondContact O-N 3.37Å; D129-Q133 PolarHBondContact OD2-NE2 2.93Å |
| 130 | E | 88.3 | Confident | 89.6 | Confident | 166 Ų | 166 | 52.5 Ų | 52.5 | 78% | 0.776 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 179.7 | -65 | -172.7 | 138.1 | 0 | 0 | 111 | H134 | E130-H134 PolarHBondContact O-N 2.86Å; E130-H134 VanDerWaalsContact O-N 3.17Å |
| 131 | R | 85.7 | Confident | 88.8 | Confident | 31 Ų | 31 | 54 Ų | 54 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.7 | -36.1 | 179 | -169.3 | 176.1 | 170.6 | -175.4 | -7.4 | 112.5 | P100 C107 D128 D129 Q133 H134 E135 | P100-R131 PolarHBondContact O-NH1 2.87Å; C107-R131 HydrophobicContact CB-CB 4.33Å; C107-R131 HydrophobicContact CB-CG 4.39Å; D128-R131 HydrophobicContact CB-CB 4.03Å; D128-R131 VanDerWaalsContact OD1-CB 3.25Å; D128-R131 WeakPolarHBondContact OD1-CB 3.32Å; D128-R131 PolarHBondContact OD1-N 3.02Å; D128-R131 VanDerWaalsContact OD1-N 3.08Å; D128-R131 WeakPolarHBondContact OD2-CB 3.14Å; D129-R131 PolarHBondContact O-N 3.43Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; R131-H134 PolarHBondContact O-N 3.48Å; R131-E135 HydrophobicContact CG-CG 4.13Å; R131-E135 IonicContact NE-OE1 3.52Å; R131-E135 IonicContact NH2-OE1 3.39Å; R131-E135 WeakPolarHBondContact O-CB 3.45Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.46Å |
| 132 | A | 87.7 | Confident | 87.9 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q8 C107 Y127 D128 D129 H134 E135 D136 | Q8-A132 PolarHBondContact NE2-O 2.91Å; C107-A132 HydrophobicContact CB-CB 4.02Å; Y127-A132 HydrophobicContact CE1-CB 4.36Å; Y127-A132 HydrophobicContact CE2-CB 4.22Å; Y127-A132 WeakPolarHBondContact OH-CB 3.07Å; D128-A132 WeakPolarHBondContact O-CB 3.32Å; D128-A132 PolarHBondContact O-N 3.43Å; D129-A132 PolarHBondContact O-N 2.86Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.28Å; A132-E135 PolarHBondContact O-N 3.17Å; A132-D136 VanDerWaalsContact O-CB 3.26Å; A132-D136 WeakPolarHBondContact O-CB 3.05Å; A132-D136 PolarHBondContact O-N 3.44Å |
| 133 | Q | 86.3 | Confident | 86.8 | Confident | 122 Ų | 122 | 60.4 Ų | 60.4 | 57% | 0.57 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.2 | -43.3 | 176.3 | -69.8 | 178.7 | 24.1 | 0 | 0 | 112 | D129 R131 A137 | D129-Q133 WeakPolarHBondContact O-CG 3.41Å; D129-Q133 PolarHBondContact O-N 3.37Å; D129-Q133 PolarHBondContact OD2-NE2 2.93Å; R131-Q133 VanDerWaalsContact C-N 3.34Å; Q133-A137 WeakPolarHBondContact O-CB 3.27Å; Q133-A137 PolarHBondContact O-N 3.17Å |
| 134 | H | 85 | Confident | 85.9 | Confident | 99 Ų | 99 | 65.7 Ų | 65.7 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -45.5 | 179.5 | -174.8 | -91.9 | 0 | 0 | 0 | 112.6 | E130 R131 A132 A137 L138 | E130-H134 PolarHBondContact O-N 2.86Å; E130-H134 VanDerWaalsContact O-N 3.17Å; R131-H134 PolarHBondContact O-N 3.48Å; A132-H134 VanDerWaalsContact C-N 3.33Å; A132-H134 PolarHBondContact O-N 3.28Å; H134-A137 PolarHBondContact O-N 3.14Å; H134-L138 WeakPolarHBondContact O-CG 3.36Å; H134-L138 PolarHBondContact O-N 3.04Å; H134-L138 VanDerWaalsContact O-N 3.11Å |
| 135 | E | 84.9 | Confident | 85.2 | Confident | 11 Ų | 11 | 67.1 Ų | 67.1 | 5% | 0.051 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.6 | -34.6 | 177.6 | -68.7 | -84.5 | 178.4 | 0 | 0 | 111.9 | R3 V4 I102 R131 A132 L138 A139 | R3-E135 IonicContact NH1-OE1 2.65Å; R3-E135 IonicContact NH1-OE2 3.95Å; V4-E135 HydrophobicContact CG1-CB 3.75Å; V4-E135 HydrophobicContact CG1-CG 4.45Å; V4-E135 HydrophobicContact CG2-CB 4.24Å; I102-E135 HydrophobicContact CD1-CG 4.33Å; R131-E135 HydrophobicContact CG-CG 4.13Å; R131-E135 IonicContact NE-OE1 3.52Å; R131-E135 IonicContact NH2-OE1 3.39Å; R131-E135 WeakPolarHBondContact O-CB 3.45Å; R131-E135 WeakPolarHBondContact O-CG 3.45Å; R131-E135 PolarHBondContact O-N 3.46Å; A132-E135 PolarHBondContact O-N 3.17Å; E135-L138 PolarHBondContact O-N 3.25Å; E135-A139 VanDerWaalsContact O-CB 3.27Å; E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.95Å |
| 136 | D | 83.9 | Confident | 84.2 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 173.5 | -84.2 | -4.8 | 0 | 0 | 0 | 111.1 | V4 Q8 A132 L138 A139 Q140 | V4-D136 WeakPolarHBondContact CG2-OD1 3.17Å; Q8-D136 PolarHBondContact NE2-OD1 3.09Å; A132-D136 VanDerWaalsContact O-CB 3.26Å; A132-D136 WeakPolarHBondContact O-CB 3.05Å; A132-D136 PolarHBondContact O-N 3.44Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.45Å; D136-A139 PolarHBondContact O-N 3.46Å; D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.87Å |
| 137 | A | 83.1 | Confident | 83.3 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q133 H134 Q140 A141 | Q133-A137 WeakPolarHBondContact O-CB 3.27Å; Q133-A137 PolarHBondContact O-N 3.17Å; H134-A137 PolarHBondContact O-N 3.14Å; A137-Q140 PolarHBondContact O-N 3.48Å; A137-A141 WeakPolarHBondContact O-CB 3.39Å; A137-A141 PolarHBondContact O-N 3.38Å |
| 138 | L | 83.6 | Confident | 82.5 | Confident | 92 Ų | 92 | 81 Ų | 81 | 48% | 0.482 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 175.1 | -73 | 173.2 | 0 | 0 | 0 | 112.3 | H134 E135 D136 A141 A142 | H134-L138 WeakPolarHBondContact O-CG 3.36Å; H134-L138 PolarHBondContact O-N 3.04Å; H134-L138 VanDerWaalsContact O-N 3.11Å; E135-L138 PolarHBondContact O-N 3.25Å; D136-L138 VanDerWaalsContact C-N 3.34Å; D136-L138 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 3.5Å; L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 3.11Å |
| 139 | A | 80.1 | Confident | 81.7 | Confident | 19 Ų | 19 | 87.8 Ų | 87.8 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P2 V4 E135 D136 A142 F143 | P2-A139 HydrophobicContact CB-CB 4.07Å; V4-A139 HydrophobicContact CG2-CB 3.91Å; E135-A139 VanDerWaalsContact O-CB 3.27Å; E135-A139 WeakPolarHBondContact O-CB 3.26Å; E135-A139 PolarHBondContact O-N 2.95Å; D136-A139 PolarHBondContact O-N 3.46Å; A139-A142 PolarHBondContact O-N 2.72Å; A139-F143 WeakPolarHBondContact O-CB 3.35Å; A139-F143 PolarHBondContact O-N 2.99Å |
| 140 | Q | 77.4 | Confident | 81 | Confident | 126 Ų | 126 | 88.8 Ų | 88.8 | 59% | 0.589 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63 | -47.6 | 174.3 | -74 | 175 | 4.4 | 0 | 0 | 111.3 | D136 A137 A142 F143 E144 | D136-Q140 WeakPolarHBondContact O-CB 3.28Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.87Å; A137-Q140 PolarHBondContact O-N 3.48Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 3.33Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; Q140-E144 WeakPolarHBondContact O-CG 3.39Å; Q140-E144 PolarHBondContact O-N 3.41Å |
| 141 | A | 80.2 | Confident | 80.6 | Confident | 55 Ų | 55 | 88.8 Ų | 88.8 | 46% | 0.455 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A137 L138 F143 E144 E145 | A137-A141 WeakPolarHBondContact O-CB 3.39Å; A137-A141 PolarHBondContact O-N 3.38Å; L138-A141 PolarHBondContact O-N 3.5Å; A141-F143 VanDerWaalsContact C-N 3.33Å; A141-F143 PolarHBondContact O-N 2.86Å; A141-E144 PolarHBondContact O-N 3.45Å; A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 2.93Å |
| 142 | A | 79.2 | Confident | 80.2 | Confident | 56 Ų | 56 | 91.5 Ų | 91.5 | 46% | 0.463 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.1 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L138 A139 Q140 A146 | L138-A142 WeakPolarHBondContact O-CB 3.32Å; L138-A142 PolarHBondContact O-N 3.11Å; A139-A142 PolarHBondContact O-N 2.72Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 3.33Å; A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å |
| 143 | F | 74.9 | Confident | 79.4 | Confident | 135 Ų | 135 | 98.4 Ų | 98.4 | 59% | 0.592 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.8 | -43.3 | 176.5 | -170.5 | -94.6 | 0 | 0 | 0 | 111.8 | A139 Q140 A141 E145 A146 R147 | A139-F143 WeakPolarHBondContact O-CB 3.35Å; A139-F143 PolarHBondContact O-N 2.99Å; Q140-F143 PolarHBondContact O-N 2.94Å; Q140-F143 VanDerWaalsContact O-N 3.14Å; A141-F143 VanDerWaalsContact C-N 3.33Å; A141-F143 PolarHBondContact O-N 2.86Å; F143-E145 VanDerWaalsContact C-N 3.35Å; F143-A146 PolarHBondContact O-N 3.4Å; F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 2.79Å |
| 144 | E | 78 | Confident | 78.9 | Confident | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.7 | -74.5 | -173.9 | -176.4 | 0 | 0 | 111.9 | Q140 A141 R147 R148 | Q140-E144 WeakPolarHBondContact O-CG 3.39Å; Q140-E144 PolarHBondContact O-N 3.41Å; A141-E144 PolarHBondContact O-N 3.45Å; E144-R147 PolarHBondContact O-N 3.16Å; E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 3.22Å |
| 145 | E | 80.2 | Confident | 78.4 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 176.7 | -169.1 | -176.7 | -178.7 | 0 | 0 | 111.5 | A141 F143 R147 R148 R149 | A141-E145 WeakPolarHBondContact O-CB 3.48Å; A141-E145 PolarHBondContact O-N 2.93Å; F143-E145 VanDerWaalsContact C-N 3.35Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R147 PolarHBondContact O-N 2.98Å; E145-R148 PolarHBondContact O-N 3.07Å; E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 2.91Å; E145-R149 IonicContact OE1-CZ 2.69Å; E145-R149 IonicContact OE1-NE 3.8Å; E145-R149 IonicContact OE1-NH2 3.61Å; E145-R149 PolarHBondContact OE1-NH2 3.38Å |
| 146 | A | 76.4 | Confident | 77.8 | Confident | 48 Ų | 48 | 104.9 Ų | 104.9 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A142 F143 R148 R149 T150 | A142-A146 WeakPolarHBondContact O-CB 3.43Å; A142-A146 PolarHBondContact O-N 3.14Å; F143-A146 PolarHBondContact O-N 3.4Å; A146-R148 PolarHBondContact O-N 2.98Å; A146-R149 PolarHBondContact O-N 3.25Å; A146-T150 PolarHBondContact O-N 3.49Å; A146-T150 PolarHBondContact O-OG1 3.36Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å |
| 147 | R | 76.7 | Confident | 77.3 | Confident | 183 Ų | 183 | 107.5 Ų | 107.5 | 69% | 0.691 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 177.8 | -173 | 178.3 | 178.1 | -175.5 | 0.2 | 112.2 | F143 E144 E145 T150 R151 | F143-R147 WeakPolarHBondContact O-CB 3.39Å; F143-R147 PolarHBondContact O-N 2.79Å; E144-R147 PolarHBondContact O-N 3.16Å; E145-R147 VanDerWaalsContact C-N 3.35Å; E145-R147 PolarHBondContact O-N 2.98Å; R147-T150 PolarHBondContact O-N 3.27Å; R147-R151 WeakPolarHBondContact O-CB 3.33Å; R147-R151 PolarHBondContact O-N 2.85Å |
| 148 | R | 77.2 | Confident | 76.8 | Confident | 170 Ų | 170 | 111.7 Ų | 111.7 | 64% | 0.642 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 172.8 | -75.9 | -177.8 | -169.5 | -162.6 | 5.3 | 110.8 | E144 E145 A146 T150 R151 D152 | E144-R148 WeakPolarHBondContact O-CG 3.4Å; E144-R148 PolarHBondContact O-N 3.22Å; E145-R148 PolarHBondContact O-N 3.07Å; A146-R148 PolarHBondContact O-N 2.98Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 3.49Å; R148-R151 PolarHBondContact O-N 2.65Å; R148-R151 VanDerWaalsContact O-N 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.4Å; R148-D152 PolarHBondContact O-N 2.96Å |
| 149 | R | 77 | Confident | 76.2 | Confident | 161 Ų | 161 | 109.8 Ų | 109.8 | 61% | 0.608 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.4 | -41.6 | 177.8 | -71.6 | 175.9 | -174.1 | -173.6 | 1.9 | 112.7 | E145 A146 F153 | E145-R149 WeakPolarHBondContact O-CG 3.37Å; E145-R149 PolarHBondContact O-N 2.91Å; E145-R149 IonicContact OE1-CZ 2.69Å; E145-R149 IonicContact OE1-NE 3.8Å; E145-R149 IonicContact OE1-NH2 3.61Å; E145-R149 PolarHBondContact OE1-NH2 3.38Å; A146-R149 PolarHBondContact O-N 3.25Å; R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.23Å |
| 150 | T | 76.5 | Confident | 75.7 | Confident | 78 Ų | 78 | 114.2 Ų | 114.2 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.5 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | A146 R147 R148 F153 E154 | A146-T150 PolarHBondContact O-N 3.49Å; A146-T150 PolarHBondContact O-OG1 3.36Å; A146-T150 VanDerWaalsContact O-OG1 3.07Å; R147-T150 PolarHBondContact O-N 3.27Å; R148-T150 VanDerWaalsContact C-N 3.33Å; R148-T150 PolarHBondContact O-N 3.49Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 2.95Å; T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 2.85Å |
| 151 | R | 78.4 | Confident | 75.3 | Confident | 166 Ų | 166 | 115.5 Ų | 115.5 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 177.9 | -171.3 | -179.7 | -176 | 178.7 | 3.4 | 112.3 | R147 R148 F153 E154 D155 | R147-R151 WeakPolarHBondContact O-CB 3.33Å; R147-R151 PolarHBondContact O-N 2.85Å; R148-R151 PolarHBondContact O-N 2.65Å; R148-R151 VanDerWaalsContact O-N 3.16Å; R151-F153 PolarHBondContact O-N 2.91Å; R151-E154 PolarHBondContact O-N 3.32Å; R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 2.81Å |
| 152 | D | 77.2 | Confident | 74.7 | Confident | 88 Ų | 88 | 118.2 Ų | 118.2 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -33.2 | 177.1 | -66.2 | -17.7 | 0 | 0 | 0 | 111.5 | R148 R156 | R148-D152 WeakPolarHBondContact O-CB 3.4Å; R148-D152 PolarHBondContact O-N 2.96Å; D152-R156 WeakPolarHBondContact O-CB 3.23Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 3.46Å; D152-R156 VanDerWaalsContact O-N 3.13Å |
| 153 | F | 71.7 | Confident | 73.9 | Confident | 146 Ų | 146 | 121.4 Ų | 121.4 | 64% | 0.64 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -71.9 | -44.8 | 175.1 | -167.1 | -91.4 | 0 | 0 | 0 | 111.8 | R149 T150 R151 R156 D157 | R149-F153 WeakPolarHBondContact O-CB 3.44Å; R149-F153 PolarHBondContact O-N 3.23Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 2.95Å; R151-F153 PolarHBondContact O-N 2.91Å; F153-R156 PolarHBondContact O-N 2.91Å; F153-D157 WeakPolarHBondContact O-CB 3.46Å; F153-D157 PolarHBondContact O-N 3.35Å |
| 154 | E | 76.1 | Confident | 73.2 | Confident | 113 Ų | 113 | 120.3 Ų | 120.3 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 175.4 | -72.8 | 174.2 | 174.4 | 0 | 0 | 112.3 | T150 R151 D157 R158 | T150-E154 WeakPolarHBondContact O-CG 3.47Å; T150-E154 PolarHBondContact O-N 2.85Å; R151-E154 PolarHBondContact O-N 3.32Å; E154-D157 PolarHBondContact O-N 3.04Å; E154-R158 WeakPolarHBondContact O-CB 3.42Å; E154-R158 PolarHBondContact O-N 3.13Å |
| 155 | D | 74.1 | Confident | 72.1 | Confident | 70 Ų | 70 | 121.3 Ų | 121.3 | 37% | 0.374 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 177.8 | -74.9 | -21.4 | 0 | 0 | 0 | 111.1 | R151 S159 | R151-D155 WeakPolarHBondContact O-CB 3.43Å; R151-D155 PolarHBondContact O-N 2.81Å; D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.42Å |
| 156 | R | 72.6 | Confident | 70.9 | Confident | 185 Ų | 185 | 122.7 Ų | 122.7 | 70% | 0.698 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68 | -39.8 | 173.5 | -77.8 | 175.5 | -176.7 | -174.4 | 2.6 | 113.3 | D152 F153 R158 S159 H160 | D152-R156 WeakPolarHBondContact O-CB 3.23Å; D152-R156 VanDerWaalsContact O-CG 3.23Å; D152-R156 WeakPolarHBondContact O-CG 3.41Å; D152-R156 PolarHBondContact O-N 3.46Å; D152-R156 VanDerWaalsContact O-N 3.13Å; F153-R156 PolarHBondContact O-N 2.91Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R156-S159 WeakPolarHBondContact CA-OG 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-S159 PolarHBondContact O-OG 3.1Å; R156-H160 VanDerWaalsContact O-CB 3.24Å; R156-H160 WeakPolarHBondContact O-CB 3.24Å; R156-H160 PolarHBondContact O-N 3.45Å |
| 157 | D | 71.8 | Confident | 69.8 | Low | 99 Ų | 99 | 124.7 Ų | 124.7 | 53% | 0.529 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.7 | -41.3 | 176.8 | -169 | 72.6 | 0 | 0 | 0 | 110.5 | F153 E154 H160 R161 | F153-D157 WeakPolarHBondContact O-CB 3.46Å; F153-D157 PolarHBondContact O-N 3.35Å; E154-D157 PolarHBondContact O-N 3.04Å; D157-H160 PolarHBondContact O-N 3.31Å; D157-R161 WeakPolarHBondContact O-CB 3.42Å; D157-R161 PolarHBondContact O-N 2.93Å |
| 158 | R | 74 | Confident | 68.6 | Low | 145 Ų | 145 | 122.4 Ų | 122.4 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.2 | -50 | 172.5 | -173 | -176.1 | -58.5 | 172.3 | 6.7 | 112.1 | E154 R156 H160 R161 E162 | E154-R158 WeakPolarHBondContact O-CB 3.42Å; E154-R158 PolarHBondContact O-N 3.13Å; R156-R158 VanDerWaalsContact C-N 3.34Å; R158-H160 VanDerWaalsContact C-N 3.3Å; R158-H160 PolarHBondContact O-N 3.41Å; R158-R161 WeakPolarHBondContact O-CB 3.41Å; R158-R161 PolarHBondContact O-N 3.35Å; R158-R161 VanDerWaalsContact O-N 3.1Å; R158-E162 HydrophobicContact CG-CG 4.5Å; R158-E162 WeakPolarHBondContact O-CG 3.04Å; R158-E162 PolarHBondContact O-N 2.93Å |
| 159 | S | 71 | Confident | 67.3 | Low | 52 Ų | 52 | 121 Ų | 121 | 36% | 0.364 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -40.2 | 179.8 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | D155 R156 R161 E162 D163 | D155-S159 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-OG 3.42Å; R156-S159 WeakPolarHBondContact CA-OG 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-S159 PolarHBondContact O-OG 3.1Å; S159-R161 VanDerWaalsContact C-N 3.29Å; S159-R161 PolarHBondContact O-N 2.95Å; S159-E162 PolarHBondContact O-N 3.48Å; S159-D163 WeakPolarHBondContact O-CB 3.32Å; S159-D163 PolarHBondContact O-N 3.2Å |
| 160 | H | 69.9 | Low | 65.9 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 52% | 0.523 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -34.2 | 175.5 | -176.6 | -96.4 | 0 | 0 | 0 | 112.3 | R156 D157 R158 L164 | R156-H160 VanDerWaalsContact O-CB 3.24Å; R156-H160 WeakPolarHBondContact O-CB 3.24Å; R156-H160 PolarHBondContact O-N 3.45Å; D157-H160 PolarHBondContact O-N 3.31Å; R158-H160 VanDerWaalsContact C-N 3.3Å; R158-H160 PolarHBondContact O-N 3.41Å; H160-L164 WeakPolarHBondContact CE1-CD1 3.5Å; H160-L164 WeakPolarHBondContact O-CB 3.45Å; H160-L164 WeakPolarHBondContact O-CD1 3.45Å; H160-L164 WeakPolarHBondContact O-CG 3.35Å; H160-L164 PolarHBondContact O-N 2.97Å |
| 161 | R | 68.4 | Low | 64.6 | Low | 152 Ų | 152 | 124.8 Ų | 124.8 | 57% | 0.574 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.9 | -40.5 | 174.6 | -158.7 | 178.9 | 83.4 | 139.2 | 12.8 | 112.2 | D157 R158 S159 L164 E165 | D157-R161 WeakPolarHBondContact O-CB 3.42Å; D157-R161 PolarHBondContact O-N 2.93Å; R158-R161 WeakPolarHBondContact O-CB 3.41Å; R158-R161 PolarHBondContact O-N 3.35Å; R158-R161 VanDerWaalsContact O-N 3.1Å; S159-R161 VanDerWaalsContact C-N 3.29Å; S159-R161 PolarHBondContact O-N 2.95Å; R161-L164 PolarHBondContact O-N 3.33Å; R161-E165 PolarHBondContact O-N 3.29Å |
| 162 | E | 67.3 | Low | 63.4 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 52% | 0.523 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64 | -42.7 | 175.1 | -71.7 | 172.7 | 159.7 | 0 | 0 | 111.1 | R158 S159 L164 E165 D166 | R158-E162 HydrophobicContact CG-CG 4.5Å; R158-E162 WeakPolarHBondContact O-CG 3.04Å; R158-E162 PolarHBondContact O-N 2.93Å; S159-E162 PolarHBondContact O-N 3.48Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; E162-E165 PolarHBondContact O-N 3.18Å; E162-D166 PolarHBondContact O-N 2.91Å |
| 163 | D | 62.2 | Low | 62.2 | Low | 124 Ų | 124 | 131.2 Ų | 131.2 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.8 | -31.3 | 174.3 | -72.7 | -27.4 | 0 | 0 | 0 | 113 | S159 | S159-D163 WeakPolarHBondContact O-CB 3.32Å; S159-D163 PolarHBondContact O-N 3.2Å |
| 164 | L | 60.3 | Low | 60.8 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 59% | 0.586 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.5 | -22.2 | 176.6 | -79 | 168.4 | 0 | 0 | 0 | 113.8 | H160 R161 E162 D166 P167 | H160-L164 WeakPolarHBondContact CE1-CD1 3.5Å; H160-L164 WeakPolarHBondContact O-CB 3.45Å; H160-L164 WeakPolarHBondContact O-CD1 3.45Å; H160-L164 WeakPolarHBondContact O-CG 3.35Å; H160-L164 PolarHBondContact O-N 2.97Å; R161-L164 PolarHBondContact O-N 3.33Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; L164-D166 VanDerWaalsContact C-N 3.28Å; L164-P167 WeakPolarHBondContact O-CD 3.47Å |
| 165 | E | 55.9 | Low | 60 | Low | 132 Ų | 132 | 137.1 Ų | 137.1 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.2 | -7.5 | 171.9 | -76.5 | 179.3 | 153.6 | 0 | 0 | 112 | R161 E162 | R161-E165 PolarHBondContact O-N 3.29Å; E162-E165 PolarHBondContact O-N 3.18Å |
| 166 | D | 54.6 | Low | 59.3 | Low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 70% | 0.696 | S | S | * | * | trans | -102 | 41.5 | 177.5 | -126.2 | -25.5 | 0 | 0 | 0 | 116.7 | E162 L164 | E162-D166 PolarHBondContact O-N 2.91Å; L164-D166 VanDerWaalsContact C-N 3.28Å | ||
| 167 | P | 52.3 | Low | 58.5 | Low | 89 Ų | 89 | 138.1 Ų | 138.1 | 58% | 0.578 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -101.4 | 120.7 | 152 | 32 | -24.5 | 0 | 0 | 0 | 109.1 | L164 | L164-P167 WeakPolarHBondContact O-CD 3.47Š|
| 168 | V | 52.4 | Low | 57.7 | Low | 135 Ų | 135 | 140.4 Ų | 140.4 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 98.3 | 56.5 | 165 | -159.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 169 | V | 49.3 | Very low | 56.7 | Low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -134 | 38.3 | 149.5 | -161.6 | 0 | 0 | 0 | 0 | 112.1 | ||
| 170 | S | 48.5 | Very low | 55.8 | Low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -141.7 | 31.4 | 176.3 | -163.7 | 0 | 0 | 0 | 0 | 115 | ||
| 171 | K | 48.8 | Very low | 54.8 | Low | 206 Ų | 206 | 148.4 Ų | 148.4 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -146.1 | 52.3 | 166.5 | -76.2 | -164.4 | 177.9 | 177.2 | 0 | 113.2 | ||||
| 172 | I | 53 | Low | 53.7 | Low | 147 Ų | 147 | 148.1 Ų | 148.1 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.7 | 131.8 | 154.4 | -59.9 | 173.8 | 0 | 0 | 0 | 102.7 | ||
| 173 | W | 52.7 | Low | 52.6 | Low | 242 Ų | 242 | 151.1 Ų | 151.1 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | 84.5 | 64.4 | -168.5 | -43.6 | 96.3 | 0 | 0 | 0 | 115.6 | ||||
| 174 | D | 41.3 | Very low | 51.7 | Low | 244 Ų | 244 | 153.5 Ų | 153.5 | 100% | 1.305 | 80% | 0.8 | S | S | * | * | -163.8 | 0 | 119.1 | -124.2 | -84 | 0 | 0 | 0 | 110 |
Retrieved 174 of 174 residues in 166.1 ms
(Link to these results)