| 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 | 47.2 | Very low | 44.2 | Very low | 209 Ų | 209 | 109.7 Ų | 109.7 | 100% | 1.03 | 60% | 0.597 | S | S | * | * | 0 | -57.9 | 0 | -89.3 | -168.6 | -109.3 | 0 | 0 | 113.2 | L3 S4 V5 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.87Å; M1-S4 PolarHBondContact O-N 3.46Å; M1-S4 PolarHBondContact O-OG 2.94Å; M1-V5 PolarHBondContact O-N 3.2Å | |||
| 2 | A | 43.6 | Very low | 44.7 | Very low | 78 Ų | 78 | 109.9 Ų | 109.9 | 65% | 0.645 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.5 | -42.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S4 V5 V6 | A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.25Å; A2-V5 PolarHBondContact O-N 3.23Å; A2-V6 WeakPolarHBondContact O-CG2 3.37Å; A2-V6 PolarHBondContact O-N 3.36Å |
| 3 | L | 40.8 | Very low | 44.8 | Very low | 152 Ų | 152 | 111.1 Ų | 111.1 | 80% | 0.796 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.1 | -33.6 | 175.8 | -88.5 | 153.4 | 0 | 0 | 0 | 113.9 | M1 K7 | M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 2.87Å; L3-K7 VanDerWaalsContact O-CB 3.28Å; L3-K7 WeakPolarHBondContact O-CB 3.28Å; L3-K7 PolarHBondContact O-N 3.01Å |
| 4 | S | 45.9 | Very low | 44.9 | Very low | 85 Ų | 85 | 112.4 Ų | 112.4 | 59% | 0.594 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.3 | -32.5 | 177.5 | 98 | 0 | 0 | 0 | 0 | 111.4 | M1 A2 G8 | M1-S4 PolarHBondContact O-N 3.46Å; M1-S4 PolarHBondContact O-OG 2.94Å; A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.25Å; S4-G8 PolarHBondContact O-N 2.86Å |
| 5 | V | 46.3 | Very low | 45.9 | Very low | 84 Ų | 84 | 107.9 Ų | 107.9 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | M1 A2 K9 | M1-V5 PolarHBondContact O-N 3.2Å; A2-V5 PolarHBondContact O-N 3.23Å; V5-K9 WeakPolarHBondContact O-CB 3.38Å; V5-K9 PolarHBondContact O-N 3.2Å |
| 6 | V | 43.8 | Very low | 47.2 | Very low | 93 Ų | 93 | 106 Ų | 106 | 56% | 0.564 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.2 | -45.5 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | A2 G8 K9 L10 | A2-V6 WeakPolarHBondContact O-CG2 3.37Å; A2-V6 PolarHBondContact O-N 3.36Å; V6-G8 PolarHBondContact O-N 3.37Å; V6-K9 PolarHBondContact O-N 3.34Å; V6-K9 VanDerWaalsContact O-N 3.11Å; V6-L10 WeakPolarHBondContact O-CB 3.47Å; V6-L10 PolarHBondContact O-N 3.02Å |
| 7 | K | 41.1 | Very low | 49 | Very low | 132 Ų | 132 | 102.8 Ų | 102.8 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 176.1 | -164.1 | -179.6 | -178.8 | -170.8 | 0 | 111.3 | L3 K9 L10 E11 | L3-K7 VanDerWaalsContact O-CB 3.28Å; L3-K7 WeakPolarHBondContact O-CB 3.28Å; L3-K7 PolarHBondContact O-N 3.01Å; K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 3.18Å; K7-L10 PolarHBondContact O-N 3.34Å; K7-E11 WeakPolarHBondContact CE-OE1 3.45Å; K7-E11 WeakPolarHBondContact O-CB 3.45Å; K7-E11 WeakPolarHBondContact O-CG 3.49Å; K7-E11 PolarHBondContact O-N 2.89Å |
| 8 | G | 50 | Low | 50.7 | Low | 17 Ų | 17 | 98.6 Ų | 98.6 | 18% | 0.175 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -67.4 | -23.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S4 V6 R12 | S4-G8 PolarHBondContact O-N 2.86Å; V6-G8 PolarHBondContact O-N 3.37Å; G8-R12 WeakPolarHBondContact O-CB 3.33Å; G8-R12 WeakPolarHBondContact O-CG 3.19Å; G8-R12 PolarHBondContact O-N 2.99Å; G8-R12 PolarHBondContact O-NE 3.09Å |
| 9 | K | 41.4 | Very low | 52.4 | Low | 141 Ų | 141 | 98 Ų | 98 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -78.3 | -38.8 | 169.6 | -89.8 | -175.1 | 175.2 | -178.6 | 0 | 111.9 | V5 V6 K7 R12 V13 | V5-K9 WeakPolarHBondContact O-CB 3.38Å; V5-K9 PolarHBondContact O-N 3.2Å; V6-K9 PolarHBondContact O-N 3.34Å; V6-K9 VanDerWaalsContact O-N 3.11Å; K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 3.18Å; K9-R12 PolarHBondContact O-N 3.2Å; K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 2.85Å |
| 10 | L | 40.3 | Very low | 54 | Low | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.8 | -44 | 179.7 | -169.4 | 70.7 | 0 | 0 | 0 | 111.4 | V6 K7 R12 V13 L14 | V6-L10 WeakPolarHBondContact O-CB 3.47Å; V6-L10 PolarHBondContact O-N 3.02Å; K7-L10 PolarHBondContact O-N 3.34Å; L10-R12 PolarHBondContact O-N 2.96Å; L10-V13 PolarHBondContact O-N 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.11Å |
| 11 | E | 46 | Very low | 55.4 | Low | 107 Ų | 107 | 91.1 Ų | 91.1 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.4 | -35.5 | 171.5 | -76.2 | 172 | -179.9 | 0 | 0 | 111.4 | K7 L14 D15 | K7-E11 WeakPolarHBondContact CE-OE1 3.45Å; K7-E11 WeakPolarHBondContact O-CB 3.45Å; K7-E11 WeakPolarHBondContact O-CG 3.49Å; K7-E11 PolarHBondContact O-N 2.89Å; E11-L14 CarbonylContact O-C 3.49Å; E11-L14 WeakPolarHBondContact O-CA 3.5Å; E11-L14 WeakPolarHBondContact O-CB 3.34Å; E11-L14 PolarHBondContact O-N 2.63Å; E11-L14 VanDerWaalsContact O-N 3.16Å; E11-D15 PolarHBondContact O-N 3.41Å |
| 12 | R | 49.8 | Very low | 57.3 | Low | 112 Ų | 112 | 82 Ų | 82 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -73.8 | -30.3 | 175.6 | -83.8 | -176.4 | -89.4 | -173.1 | -10.7 | 114.9 | G8 K9 L10 L14 D15 D49 | G8-R12 WeakPolarHBondContact O-CB 3.33Å; G8-R12 WeakPolarHBondContact O-CG 3.19Å; G8-R12 PolarHBondContact O-N 2.99Å; G8-R12 PolarHBondContact O-NE 3.09Å; K9-R12 PolarHBondContact O-N 3.2Å; L10-R12 PolarHBondContact O-N 2.96Å; R12-L14 PolarHBondContact O-N 2.76Å; R12-D15 WeakPolarHBondContact O-CB 3.43Å; R12-D15 PolarHBondContact O-N 3.16Å; R12-D49 IonicContact NH1-OD2 2.8Å; R12-D49 PolarHBondContact NH1-OD2 3.33Å |
| 13 | V | 46 | Very low | 59.2 | Low | 125 Ų | 125 | 85.1 Ų | 85.1 | 76% | 0.758 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -67.2 | -24.4 | 168.8 | 173 | 0 | 0 | 0 | 0 | 110.6 | K9 L10 D15 | K9-V13 WeakPolarHBondContact O-CG2 3.21Å; K9-V13 PolarHBondContact O-N 2.85Å; L10-V13 PolarHBondContact O-N 3.36Å; V13-D15 VanDerWaalsContact C-N 3.33Å |
| 14 | L | 46.4 | Very low | 61.2 | Low | 130 Ų | 130 | 78.2 Ų | 78.2 | 68% | 0.681 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.9 | 174.7 | -63.8 | 163.2 | 0 | 0 | 0 | 113.1 | L10 E11 R12 K16 | L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 3.11Å; E11-L14 CarbonylContact O-C 3.49Å; E11-L14 WeakPolarHBondContact O-CA 3.5Å; E11-L14 WeakPolarHBondContact O-CB 3.34Å; E11-L14 PolarHBondContact O-N 2.63Å; E11-L14 VanDerWaalsContact O-N 3.16Å; R12-L14 PolarHBondContact O-N 2.76Å; L14-K16 PolarHBondContact O-N 3.23Å |
| 15 | D | 60 | Low | 63 | Low | 45 Ų | 45 | 74.6 Ų | 74.6 | 24% | 0.241 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -57.3 | 126 | 175.3 | -75.6 | -21.8 | 0 | 0 | 0 | 109.3 | E11 R12 V13 N17 | E11-D15 PolarHBondContact O-N 3.41Å; R12-D15 WeakPolarHBondContact O-CB 3.43Å; R12-D15 PolarHBondContact O-N 3.16Å; V13-D15 VanDerWaalsContact C-N 3.33Å; D15-N17 PolarHBondContact O-N 3.49Å; D15-N17 VanDerWaalsContact O-N 3.16Å |
| 16 | K | 67.1 | Low | 64.7 | Low | 77 Ų | 77 | 79.4 Ų | 79.4 | 34% | 0.335 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -50 | 123.9 | -180 | -63 | 174.6 | -163.8 | 155 | 0 | 109.3 | L14 D20 E42 N57 K61 | L14-K16 PolarHBondContact O-N 3.23Å; K16-D20 HydrophobicContact CB-CB 3.88Å; K16-D20 HydrophobicContact CG-CB 4.4Å; K16-E42 VanDerWaalsContact NZ-CD 3.26Å; K16-E42 IonicContact NZ-OE1 2.85Å; K16-E42 PolarHBondContact NZ-OE1 3.24Å; K16-E42 IonicContact NZ-OE2 2.64Å; K16-E42 PolarHBondContact NZ-OE2 3.29Å; K16-N57 PolarHBondContact O-ND2 3.24Å; K16-K61 WeakPolarHBondContact O-CD 3.42Å; K16-K61 WeakPolarHBondContact O-CE 3.32Å; K16-K61 PolarHBondContact O-NZ 3.2Å |
| 17 | N | 77.7 | Confident | 66.6 | Low | 51 Ų | 51 | 82.6 Ų | 82.6 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 172.1 | 177.3 | 91.6 | 0.8 | 0 | 0 | 0 | 109.6 | D15 Q19 D20 L21 | D15-N17 PolarHBondContact O-N 3.49Å; D15-N17 VanDerWaalsContact O-N 3.16Å; N17-Q19 VanDerWaalsContact C-N 3.25Å; N17-Q19 PolarHBondContact ND2-OE1 3.07Å; N17-Q19 PolarHBondContact O-N 3.29Å; N17-Q19 WeakPolarHBondContact OD1-CA 3.41Å; N17-Q19 WeakPolarHBondContact OD1-CB 3.29Å; N17-Q19 PolarHBondContact OD1-N 3.39Å; N17-D20 PolarHBondContact N-OD2 2.86Å; N17-D20 WeakPolarHBondContact O-CB 3.26Å; N17-D20 PolarHBondContact O-N 3.49Å; N17-D20 VanDerWaalsContact O-N 3.1Å; N17-D20 PolarHBondContact OD1-N 3.14Å; N17-L21 PolarHBondContact O-N 3.31Å; N17-L21 VanDerWaalsContact O-N 3.12Å |
| 18 | P | 79.3 | Confident | 68.4 | Low | 27 Ų | 27 | 80.2 Ų | 80.2 | 18% | 0.175 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.2 | -30.4 | 176.2 | 22.7 | -33.9 | 0 | 0 | 0 | 114 | L21 V22 N57 K61 | P18-L21 WeakPolarHBondContact O-CB 3.34Å; P18-L21 PolarHBondContact O-N 3.24Å; P18-V22 VanDerWaalsContact O-CG2 3.23Å; P18-V22 WeakPolarHBondContact O-CG2 3.45Å; P18-V22 PolarHBondContact O-N 2.84Å; P18-N57 WeakPolarHBondContact CD-OD1 3.1Å; P18-K61 HydrophobicContact CB-CG 4.35Å |
| 19 | Q | 84.2 | Confident | 69.5 | Low | 88 Ų | 88 | 82.1 Ų | 82.1 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.9 | -37 | 172.8 | -51.2 | 173.8 | -35.1 | 0 | 0 | 112 | N17 L21 V22 R23 | N17-Q19 VanDerWaalsContact C-N 3.25Å; N17-Q19 PolarHBondContact ND2-OE1 3.07Å; N17-Q19 PolarHBondContact O-N 3.29Å; N17-Q19 WeakPolarHBondContact OD1-CA 3.41Å; N17-Q19 WeakPolarHBondContact OD1-CB 3.29Å; N17-Q19 PolarHBondContact OD1-N 3.39Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; Q19-V22 PolarHBondContact O-N 3.47Å; Q19-R23 VanDerWaalsContact O-CB 3.27Å; Q19-R23 WeakPolarHBondContact O-CB 3Å; Q19-R23 PolarHBondContact O-N 3.45Å |
| 20 | D | 83.8 | Confident | 71.1 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 25% | 0.251 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 173.9 | -68.8 | -47.2 | 0 | 0 | 0 | 111.4 | K16 N17 R23 G24 | K16-D20 HydrophobicContact CB-CB 3.88Å; K16-D20 HydrophobicContact CG-CB 4.4Å; N17-D20 PolarHBondContact N-OD2 2.86Å; N17-D20 WeakPolarHBondContact O-CB 3.26Å; N17-D20 PolarHBondContact O-N 3.49Å; N17-D20 VanDerWaalsContact O-N 3.1Å; N17-D20 PolarHBondContact OD1-N 3.14Å; D20-R23 PolarHBondContact O-N 3.1Å; D20-R23 IonicContact OD1-CZ 3.89Å; D20-R23 IonicContact OD1-NE 3.61Å; D20-R23 IonicContact OD1-NH2 2.74Å; D20-R23 PolarHBondContact OD1-NH2 2.74Å; D20-G24 PolarHBondContact O-N 3.18Å |
| 21 | L | 83.9 | Confident | 72.9 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.5 | -50 | 172.6 | 174.3 | 69.5 | 0 | 0 | 0 | 111.1 | N17 P18 Q19 R23 G24 I25 Y35 C39 K61 Y64 I65 | N17-L21 PolarHBondContact O-N 3.31Å; N17-L21 VanDerWaalsContact O-N 3.12Å; P18-L21 WeakPolarHBondContact O-CB 3.34Å; P18-L21 PolarHBondContact O-N 3.24Å; Q19-L21 VanDerWaalsContact C-N 3.33Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.32Å; L21-G24 PolarHBondContact O-N 3.42Å; L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.32Å; L21-I25 HydrophobicContact CG-CD1 3.88Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 3.07Å; L21-Y35 HydrophobicContact CD1-CE1 4.41Å; L21-C39 HydrophobicContact CD1-CB 3.74Å; L21-C39 VanDerWaalsContact CD1-SG 3.52Å; L21-K61 HydrophobicContact CB-CG 4.39Å; L21-K61 HydrophobicContact CD2-CB 3.83Å; L21-K61 HydrophobicContact CD2-CG 4.02Å; L21-K61 WeakPolarHBondContact CD2-O 3.48Å; L21-Y64 HydrophobicContact CD2-CD1 4.19Å; L21-I65 HydrophobicContact CD1-CD1 4.41Å; L21-I65 HydrophobicContact CD2-CD1 4.06Å; L21-I65 HydrophobicContact CD2-CG1 3.89Å |
| 22 | V | 85.2 | Confident | 74.6 | Confident | 18 Ų | 18 | 79.1 Ų | 79.1 | 11% | 0.109 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59 | -44.7 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | P18 Q19 G24 I25 R26 Y64 | P18-V22 VanDerWaalsContact O-CG2 3.23Å; P18-V22 WeakPolarHBondContact O-CG2 3.45Å; P18-V22 PolarHBondContact O-N 2.84Å; Q19-V22 PolarHBondContact O-N 3.47Å; V22-G24 VanDerWaalsContact C-N 3.34Å; V22-I25 PolarHBondContact O-N 3.09Å; V22-R26 WeakPolarHBondContact O-CG 3.5Å; V22-R26 PolarHBondContact O-N 3.4Å; V22-Y64 HydrophobicContact CG2-CD1 4.04Å; V22-Y64 HydrophobicContact CG2-CD2 3.95Å; V22-Y64 HydrophobicContact CG2-CE1 3.77Å; V22-Y64 HydrophobicContact CG2-CE2 3.67Å; V22-Y64 HydrophobicContact CG2-CG 4.14Å |
| 23 | R | 84.5 | Confident | 76.2 | Confident | 143 Ų | 143 | 77 Ų | 77 | 54% | 0.54 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 177.5 | -176.5 | 170.1 | 63.6 | -179.4 | 0.5 | 111.8 | Q19 D20 L21 K27 | Q19-R23 VanDerWaalsContact O-CB 3.27Å; Q19-R23 WeakPolarHBondContact O-CB 3Å; Q19-R23 PolarHBondContact O-N 3.45Å; D20-R23 PolarHBondContact O-N 3.1Å; D20-R23 IonicContact OD1-CZ 3.89Å; D20-R23 IonicContact OD1-NE 3.61Å; D20-R23 IonicContact OD1-NH2 2.74Å; D20-R23 PolarHBondContact OD1-NH2 2.74Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.32Å; R23-K27 WeakPolarHBondContact O-CG 3.13Å; R23-K27 PolarHBondContact O-N 3.18Å; R23-K27 VanDerWaalsContact O-N 3.16Å |
| 24 | G | 82.9 | Confident | 78 | Confident | 8 Ų | 8 | 77.7 Ų | 77.7 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D20 L21 V22 R26 K27 H28 Y35 | D20-G24 PolarHBondContact O-N 3.18Å; L21-G24 PolarHBondContact O-N 3.42Å; V22-G24 VanDerWaalsContact C-N 3.34Å; G24-R26 VanDerWaalsContact C-N 3.33Å; G24-R26 PolarHBondContact O-N 3.33Å; G24-K27 PolarHBondContact O-N 3.24Å; G24-K27 VanDerWaalsContact O-N 3.09Å; G24-H28 PolarHBondContact O-CD2 3.28Å; G24-H28 VanDerWaalsContact O-CD2 3.23Å; G24-H28 PolarHBondContact O-N 3.23Å; G24-H28 VanDerWaalsContact O-N 3.16Å; G24-Y35 WeakPolarHBondContact CA-OH 3.36Å |
| 25 | I | 83 | Confident | 79.9 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 5% | 0.046 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 176.7 | -71.8 | 167.7 | 0 | 0 | 0 | 110.5 | L21 V22 K27 H28 E32 Y35 I36 Y64 L68 | L21-I25 HydrophobicContact CD1-CD1 3.91Å; L21-I25 HydrophobicContact CD1-CG1 4.32Å; L21-I25 HydrophobicContact CG-CD1 3.88Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 3.07Å; V22-I25 PolarHBondContact O-N 3.09Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 2.8Å; I25-H28 PolarHBondContact O-N 3.23Å; I25-H28 VanDerWaalsContact O-N 3.15Å; I25-E32 HydrophobicContact CG2-CG 4.04Å; I25-E32 WeakPolarHBondContact CG2-OE1 3.34Å; I25-Y35 HydrophobicContact CG1-CD1 3.95Å; I25-Y35 HydrophobicContact CG1-CE1 3.98Å; I25-I36 HydrophobicContact CD1-CD1 4.36Å; I25-I36 HydrophobicContact CD1-CG1 4.18Å; I25-I36 HydrophobicContact CG1-CD1 4.44Å; I25-I36 HydrophobicContact CG1-CG1 4.08Å; I25-Y64 HydrophobicContact CD1-CD1 4.03Å; I25-Y64 HydrophobicContact CD1-CE1 3.68Å; I25-L68 HydrophobicContact CD1-CD1 3.86Å |
| 26 | R | 83.2 | Confident | 81.1 | Confident | 184 Ų | 184 | 70.8 Ų | 70.8 | 69% | 0.694 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.7 | -30.1 | 177.9 | -71.6 | 177.9 | -176.6 | -177.8 | 2.9 | 113.9 | V22 G24 | V22-R26 WeakPolarHBondContact O-CG 3.5Å; V22-R26 PolarHBondContact O-N 3.4Å; G24-R26 VanDerWaalsContact C-N 3.33Å; G24-R26 PolarHBondContact O-N 3.33Å |
| 27 | K | 83.5 | Confident | 82 | Confident | 160 Ų | 160 | 68.5 Ų | 68.5 | 70% | 0.696 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -76.8 | -25.7 | 177.1 | -77.6 | -179.7 | 177.7 | -172.8 | 0 | 112.9 | R23 G24 I25 | R23-K27 WeakPolarHBondContact O-CG 3.13Å; R23-K27 PolarHBondContact O-N 3.18Å; R23-K27 VanDerWaalsContact O-N 3.16Å; G24-K27 PolarHBondContact O-N 3.24Å; G24-K27 VanDerWaalsContact O-N 3.09Å; I25-K27 VanDerWaalsContact C-N 3.28Å; I25-K27 PolarHBondContact O-N 2.8Å |
| 28 | H | 79.1 | Confident | 82.5 | Confident | 82 Ų | 82 | 71.8 Ų | 71.8 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 42.3 | -174.7 | -72.1 | -70.3 | 0 | 0 | 0 | 113.1 | G24 I25 V30 D31 E32 Y35 | G24-H28 PolarHBondContact O-CD2 3.28Å; G24-H28 VanDerWaalsContact O-CD2 3.23Å; G24-H28 PolarHBondContact O-N 3.23Å; G24-H28 VanDerWaalsContact O-N 3.16Å; I25-H28 PolarHBondContact O-N 3.23Å; I25-H28 VanDerWaalsContact O-N 3.15Å; H28-V30 VanDerWaalsContact C-N 3.25Å; H28-V30 PolarHBondContact O-N 2.86Å; H28-D31 CarbonylContact O-C 3.47Å; H28-D31 PolarHBondContact O-N 3.23Å; H28-D31 VanDerWaalsContact O-N 3.13Å; H28-E32 WeakPolarHBondContact O-CA 3.27Å; H28-E32 WeakPolarHBondContact O-CB 3.39Å; H28-E32 PolarHBondContact O-N 3.18Å; H28-Y35 HydrophobicContact CB-CG 4.24Å; H28-Y35 AromaticContact CD2-CD2 3.35Å; H28-Y35 WeakPolarHBondContact CD2-CD2 3.49Å; H28-Y35 AromaticContact CD2-CE2 3.71Å; H28-Y35 AromaticContact CD2-CG 3.63Å; H28-Y35 AromaticContact NE2-CD2 3.73Å; H28-Y35 AromaticContact NE2-CE2 3.93Å |
| 29 | G | 73.2 | Confident | 82.9 | Confident | 57 Ų | 57 | 70.7 Ų | 70.7 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -55.2 | -30.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 30 | V | 73.7 | Confident | 83.1 | Confident | 147 Ų | 147 | 67.6 Ų | 67.6 | 89% | 0.891 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -85.9 | -34.9 | 178.5 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | H28 | H28-V30 VanDerWaalsContact C-N 3.25Å; H28-V30 PolarHBondContact O-N 2.86Å |
| 31 | D | 78.1 | Confident | 83.4 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -109.2 | 25.6 | -176.7 | -82.6 | -53 | 0 | 0 | 0 | 112.1 | H28 A33 K34 Y35 | H28-D31 CarbonylContact O-C 3.47Å; H28-D31 PolarHBondContact O-N 3.23Å; H28-D31 VanDerWaalsContact O-N 3.13Å; D31-A33 VanDerWaalsContact C-N 3.28Å; D31-A33 PolarHBondContact O-N 2.66Å; D31-K34 PolarHBondContact O-N 2.99Å; D31-K34 IonicContact OD1-NZ 3.66Å; D31-K34 PolarHBondContact OD1-NZ 3.46Å; D31-Y35 PolarHBondContact O-N 3.16Å; D31-Y35 VanDerWaalsContact O-N 3.08Å |
| 32 | E | 82.5 | Confident | 83.6 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 33% | 0.327 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.4 | -44.7 | -170.2 | -174.7 | -179.6 | 172.1 | 0 | 0 | 111.7 | I25 H28 K34 Y35 I36 | I25-E32 HydrophobicContact CG2-CG 4.04Å; I25-E32 WeakPolarHBondContact CG2-OE1 3.34Å; H28-E32 WeakPolarHBondContact O-CA 3.27Å; H28-E32 WeakPolarHBondContact O-CB 3.39Å; H28-E32 PolarHBondContact O-N 3.18Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 3.24Å; E32-Y35 PolarHBondContact O-N 3.39Å; E32-I36 HydrophobicContact CG-CD1 3.73Å; E32-I36 HydrophobicContact CG-CG1 4.34Å; E32-I36 WeakPolarHBondContact O-CB 3.43Å; E32-I36 VanDerWaalsContact O-CG1 3.32Å; E32-I36 WeakPolarHBondContact O-CG1 2.68Å; E32-I36 PolarHBondContact O-N 3.2Å |
| 33 | A | 82.6 | Confident | 83.9 | Confident | 68 Ų | 68 | 72 Ų | 72 | 56% | 0.562 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.9 | -37.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D31 G37 | D31-A33 VanDerWaalsContact C-N 3.28Å; D31-A33 PolarHBondContact O-N 2.66Å; A33-G37 PolarHBondContact O-N 3.03Å |
| 34 | K | 84.4 | Confident | 84.2 | Confident | 140 Ų | 140 | 69.1 Ų | 69.1 | 61% | 0.609 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -70.1 | -42.4 | 176.7 | -67.9 | -179.7 | -169.2 | 147.4 | 0 | 110.6 | D31 E32 G37 Q38 | D31-K34 PolarHBondContact O-N 2.99Å; D31-K34 IonicContact OD1-NZ 3.66Å; D31-K34 PolarHBondContact OD1-NZ 3.46Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 3.24Å; K34-G37 PolarHBondContact O-N 3.09Å; K34-Q38 WeakPolarHBondContact O-CG 3.42Å; K34-Q38 PolarHBondContact O-N 2.64Å |
| 35 | Y | 85.1 | Confident | 84.5 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 11% | 0.114 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 176.9 | -177.9 | -103.2 | 0 | 0 | 0 | 111.6 | L21 G24 I25 H28 D31 E32 G37 Q38 C39 | L21-Y35 HydrophobicContact CD1-CE1 4.41Å; G24-Y35 WeakPolarHBondContact CA-OH 3.36Å; I25-Y35 HydrophobicContact CG1-CD1 3.95Å; I25-Y35 HydrophobicContact CG1-CE1 3.98Å; H28-Y35 HydrophobicContact CB-CG 4.24Å; H28-Y35 AromaticContact CD2-CD2 3.35Å; H28-Y35 WeakPolarHBondContact CD2-CD2 3.49Å; H28-Y35 AromaticContact CD2-CE2 3.71Å; H28-Y35 AromaticContact CD2-CG 3.63Å; H28-Y35 AromaticContact NE2-CD2 3.73Å; H28-Y35 AromaticContact NE2-CE2 3.93Å; D31-Y35 PolarHBondContact O-N 3.16Å; D31-Y35 VanDerWaalsContact O-N 3.08Å; E32-Y35 PolarHBondContact O-N 3.39Å; Y35-G37 VanDerWaalsContact C-N 3.32Å; Y35-G37 PolarHBondContact O-N 2.88Å; Y35-Q38 PolarHBondContact O-N 3.35Å; Y35-C39 WeakPolarHBondContact CE1-SG 3.47Å; Y35-C39 VanDerWaalsContact CZ-SG 3.56Å; Y35-C39 PolarHBondContact O-N 3.18Å; Y35-C39 PolarHBondContact O-SG 3.11Å |
| 36 | I | 86 | Confident | 84.9 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 175.1 | -68 | 173.2 | 0 | 0 | 0 | 110.7 | I25 E32 Q38 C39 L40 I65 L68 Y70 | I25-I36 HydrophobicContact CD1-CD1 4.36Å; I25-I36 HydrophobicContact CD1-CG1 4.18Å; I25-I36 HydrophobicContact CG1-CD1 4.44Å; I25-I36 HydrophobicContact CG1-CG1 4.08Å; E32-I36 HydrophobicContact CG-CD1 3.73Å; E32-I36 HydrophobicContact CG-CG1 4.34Å; E32-I36 WeakPolarHBondContact O-CB 3.43Å; E32-I36 VanDerWaalsContact O-CG1 3.32Å; E32-I36 WeakPolarHBondContact O-CG1 2.68Å; E32-I36 PolarHBondContact O-N 3.2Å; I36-Q38 PolarHBondContact O-N 3.3Å; I36-C39 PolarHBondContact O-N 3.08Å; I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.25Å; I36-L40 WeakPolarHBondContact O-CB 3.41Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 3.38Å; I36-I65 HydrophobicContact CG2-CG2 4.07Å; I36-L68 HydrophobicContact CD1-CD1 3.99Å; I36-Y70 HydrophobicContact CB-CE1 4.46Å; I36-Y70 HydrophobicContact CD1-CD2 4.48Å; I36-Y70 HydrophobicContact CD1-CE2 3.51Å; I36-Y70 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y70 HydrophobicContact CG2-CD1 4.03Å; I36-Y70 HydrophobicContact CG2-CD2 4.16Å; I36-Y70 HydrophobicContact CG2-CE1 3.72Å; I36-Y70 HydrophobicContact CG2-CE2 3.88Å; I36-Y70 HydrophobicContact CG2-CG 4.24Å |
| 37 | G | 87 | Confident | 85.3 | Confident | 29 Ų | 29 | 65.7 Ų | 65.7 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A33 K34 Y35 C39 L40 D41 | A33-G37 PolarHBondContact O-N 3.03Å; K34-G37 PolarHBondContact O-N 3.09Å; Y35-G37 VanDerWaalsContact C-N 3.32Å; Y35-G37 PolarHBondContact O-N 2.88Å; G37-C39 PolarHBondContact O-N 3.22Å; G37-L40 PolarHBondContact O-N 3.11Å; G37-D41 PolarHBondContact O-N 2.86Å; G37-D41 VanDerWaalsContact O-N 3.1Å |
| 38 | Q | 86.9 | Confident | 85.6 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.3 | -43.5 | 175.1 | -68.7 | 174.7 | -1.4 | 0 | 0 | 112 | K34 Y35 I36 L40 D41 E42 | K34-Q38 WeakPolarHBondContact O-CG 3.42Å; K34-Q38 PolarHBondContact O-N 2.64Å; Y35-Q38 PolarHBondContact O-N 3.35Å; I36-Q38 PolarHBondContact O-N 3.3Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3Å; Q38-D41 PolarHBondContact O-N 3.45Å; Q38-E42 WeakPolarHBondContact O-CG 3.19Å; Q38-E42 PolarHBondContact O-N 3.41Å |
| 39 | C | 87.7 | Confident | 86 | Confident | 4 Ų | 4 | 63.8 Ų | 63.8 | 3% | 0.027 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 177.1 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | L21 Y35 I36 G37 D41 E42 I43 I65 | L21-C39 HydrophobicContact CD1-CB 3.74Å; L21-C39 VanDerWaalsContact CD1-SG 3.52Å; Y35-C39 WeakPolarHBondContact CE1-SG 3.47Å; Y35-C39 VanDerWaalsContact CZ-SG 3.56Å; Y35-C39 PolarHBondContact O-N 3.18Å; Y35-C39 PolarHBondContact O-SG 3.11Å; I36-C39 PolarHBondContact O-N 3.08Å; G37-C39 PolarHBondContact O-N 3.22Å; C39-D41 VanDerWaalsContact C-N 3.34Å; C39-E42 PolarHBondContact O-N 3.19Å; C39-I43 WeakPolarHBondContact O-CB 3.33Å; C39-I43 WeakPolarHBondContact O-CD1 3.19Å; C39-I43 WeakPolarHBondContact O-CG1 3.32Å; C39-I43 PolarHBondContact O-N 3.23Å; C39-I65 HydrophobicContact CB-CD1 4.41Å |
| 40 | L | 89 | Confident | 86.7 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 176 | -77.3 | 171.7 | 0 | 0 | 0 | 111.7 | I36 G37 Q38 I43 K44 L62 I65 Y70 W74 | I36-L40 HydrophobicContact CG2-CD1 4.05Å; I36-L40 HydrophobicContact CG2-CG 4.25Å; I36-L40 WeakPolarHBondContact O-CB 3.41Å; I36-L40 WeakPolarHBondContact O-CG 3.15Å; I36-L40 PolarHBondContact O-N 3.38Å; G37-L40 PolarHBondContact O-N 3.11Å; Q38-L40 VanDerWaalsContact C-N 3.32Å; Q38-L40 PolarHBondContact O-N 3Å; L40-I43 PolarHBondContact O-N 2.65Å; L40-K44 WeakPolarHBondContact O-CB 3.19Å; L40-K44 VanDerWaalsContact O-CG 3.28Å; L40-K44 WeakPolarHBondContact O-CG 3.47Å; L40-K44 PolarHBondContact O-N 3.45Å; L40-L62 HydrophobicContact CD2-CD1 3.93Å; L40-I65 HydrophobicContact CD2-CD1 3.96Å; L40-I65 HydrophobicContact CD2-CG2 3.86Å; L40-I65 HydrophobicContact CG-CD1 4.24Å; L40-I65 HydrophobicContact CG-CG2 4.34Å; L40-Y70 HydrophobicContact CD1-CD1 4.32Å; L40-W74 HydrophobicContact CD2-CZ2 4.02Å |
| 41 | D | 89.2 | Confident | 87.4 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.4 | -39 | 175.9 | -68 | -26 | 0 | 0 | 0 | 112.1 | G37 Q38 C39 K44 N45 | G37-D41 PolarHBondContact O-N 2.86Å; G37-D41 VanDerWaalsContact O-N 3.1Å; Q38-D41 PolarHBondContact O-N 3.45Å; C39-D41 VanDerWaalsContact C-N 3.34Å; D41-K44 PolarHBondContact O-N 3.35Å; D41-K44 IonicContact OD1-NZ 3.24Å; D41-N45 PolarHBondContact O-N 3.5Å; D41-N45 VanDerWaalsContact O-N 3.15Å; D41-N45 PolarHBondContact O-ND2 2.94Å |
| 42 | E | 89.3 | Confident | 87.9 | Confident | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.3 | -50 | 169.2 | -72.6 | 178.7 | -175.6 | 0 | 0 | 110.7 | K16 Q38 C39 K44 N45 E46 | K16-E42 VanDerWaalsContact NZ-CD 3.26Å; K16-E42 IonicContact NZ-OE1 2.85Å; K16-E42 PolarHBondContact NZ-OE1 3.24Å; K16-E42 IonicContact NZ-OE2 2.64Å; K16-E42 PolarHBondContact NZ-OE2 3.29Å; Q38-E42 WeakPolarHBondContact O-CG 3.19Å; Q38-E42 PolarHBondContact O-N 3.41Å; C39-E42 PolarHBondContact O-N 3.19Å; E42-K44 PolarHBondContact O-N 3.23Å; E42-N45 WeakPolarHBondContact O-CB 3.29Å; E42-N45 PolarHBondContact O-N 2.98Å; E42-N45 VanDerWaalsContact O-N 3.09Å; E42-E46 WeakPolarHBondContact O-CG 3.42Å; E42-E46 PolarHBondContact O-N 2.82Å |
| 43 | I | 91 | Very high | 88.2 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 178.9 | -70.8 | 163 | 0 | 0 | 0 | 111.3 | C39 L40 N45 E46 L47 A58 K61 L62 I65 W74 | C39-I43 WeakPolarHBondContact O-CB 3.33Å; C39-I43 WeakPolarHBondContact O-CD1 3.19Å; C39-I43 WeakPolarHBondContact O-CG1 3.32Å; C39-I43 PolarHBondContact O-N 3.23Å; L40-I43 PolarHBondContact O-N 2.65Å; I43-N45 PolarHBondContact O-N 3.49Å; I43-E46 PolarHBondContact O-N 3.25Å; I43-L47 HydrophobicContact CG2-CD1 3.75Å; I43-L47 HydrophobicContact CG2-CG 4.16Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.18Å; I43-A58 HydrophobicContact CG2-CB 4.23Å; I43-K61 HydrophobicContact CD1-CB 3.73Å; I43-K61 HydrophobicContact CG1-CB 4.12Å; I43-L62 HydrophobicContact CG2-CB 4.28Å; I43-L62 HydrophobicContact CG2-CD1 4.41Å; I43-I65 HydrophobicContact CD1-CD1 3.41Å; I43-I65 VanDerWaalsContact CD1-CD1 3.41Å; I43-W74 HydrophobicContact CG2-CH2 4.12Å |
| 44 | K | 91 | Very high | 88.5 | Confident | 82 Ų | 82 | 58.5 Ų | 58.5 | 36% | 0.357 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.6 | -33.5 | 176.4 | -77.7 | 170.5 | -172 | 166.9 | 0 | 112.4 | L40 D41 E42 K48 W74 | L40-K44 WeakPolarHBondContact O-CB 3.19Å; L40-K44 VanDerWaalsContact O-CG 3.28Å; L40-K44 WeakPolarHBondContact O-CG 3.47Å; L40-K44 PolarHBondContact O-N 3.45Å; D41-K44 PolarHBondContact O-N 3.35Å; D41-K44 IonicContact OD1-NZ 3.24Å; E42-K44 PolarHBondContact O-N 3.23Å; K44-K48 WeakPolarHBondContact O-CG 3.34Å; K44-W74 HydrophobicContact CG-CE3 4.15Å; K44-W74 HydrophobicContact CG-CH2 3.58Å; K44-W74 HydrophobicContact CG-CZ2 4.25Å; K44-W74 HydrophobicContact CG-CZ3 3.52Å |
| 45 | N | 89.6 | Confident | 88.9 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75.8 | -42.9 | 176.1 | -69.1 | -31.8 | 0 | 0 | 0 | 111.6 | D41 E42 I43 L47 K48 | D41-N45 PolarHBondContact O-N 3.5Å; D41-N45 VanDerWaalsContact O-N 3.15Å; D41-N45 PolarHBondContact O-ND2 2.94Å; E42-N45 WeakPolarHBondContact O-CB 3.29Å; E42-N45 PolarHBondContact O-N 2.98Å; E42-N45 VanDerWaalsContact O-N 3.09Å; I43-N45 PolarHBondContact O-N 3.49Å; N45-L47 VanDerWaalsContact C-N 3.28Å; N45-L47 PolarHBondContact O-N 2.9Å; N45-K48 WeakPolarHBondContact O-CB 3.27Å; N45-K48 PolarHBondContact O-N 3.26Å; N45-K48 VanDerWaalsContact O-N 3.15Å |
| 46 | E | 90.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 11% | 0.107 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -37.9 | 174.7 | -71.7 | 174.3 | -161.1 | 0 | 0 | 112.5 | E42 I43 K48 D49 V54 A58 K61 | E42-E46 WeakPolarHBondContact O-CG 3.42Å; E42-E46 PolarHBondContact O-N 2.82Å; I43-E46 PolarHBondContact O-N 3.25Å; E46-K48 PolarHBondContact O-N 3.3Å; E46-D49 VanDerWaalsContact O-CB 3.28Å; E46-D49 WeakPolarHBondContact O-CB 3.46Å; E46-D49 PolarHBondContact O-N 3.23Å; E46-D49 VanDerWaalsContact O-N 3.08Å; E46-V54 HydrophobicContact CB-CG1 3.78Å; E46-V54 HydrophobicContact CG-CG1 4.11Å; E46-A58 HydrophobicContact CB-CB 3.74Å; E46-A58 WeakPolarHBondContact OE2-CB 3.49Å; E46-K61 IonicContact OE1-NZ 2.66Å; E46-K61 PolarHBondContact OE1-NZ 3.18Å; E46-K61 WeakPolarHBondContact OE2-CE 3.43Å; E46-K61 IonicContact OE2-NZ 3.88Å; E46-K61 PolarHBondContact OE2-NZ 3.5Å |
| 47 | L | 91.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.4 | 178.7 | -75.8 | 173.6 | 0 | 0 | 0 | 113.7 | I43 N45 K55 A58 I59 W74 A75 N78 | I43-L47 HydrophobicContact CG2-CD1 3.75Å; I43-L47 HydrophobicContact CG2-CG 4.16Å; I43-L47 WeakPolarHBondContact O-CB 3.45Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.18Å; N45-L47 VanDerWaalsContact C-N 3.28Å; N45-L47 PolarHBondContact O-N 2.9Å; L47-K55 WeakPolarHBondContact O-CE 3.4Å; L47-A58 HydrophobicContact CD2-CB 3.79Å; L47-A58 HydrophobicContact CG-CB 3.9Å; L47-I59 HydrophobicContact CD2-CD1 4.45Å; L47-I59 HydrophobicContact CD2-CG1 3.74Å; L47-W74 HydrophobicContact CD1-CH2 3.83Å; L47-W74 HydrophobicContact CD1-CZ3 3.47Å; L47-W74 VanDerWaalsContact CD1-CZ3 3.47Å; L47-A75 HydrophobicContact CD1-CB 4.19Å; L47-N78 HydrophobicContact CD2-CB 3.87Å; L47-N78 PolarHBondContact O-ND2 2.87Å |
| 48 | K | 90.2 | Very high | 89.7 | Confident | 164 Ų | 164 | 51.6 Ų | 51.6 | 71% | 0.713 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -13.2 | 174.2 | -64.9 | 170.2 | -174.1 | 169.7 | 0 | 113.3 | K44 N45 E46 | K44-K48 WeakPolarHBondContact O-CG 3.34Å; N45-K48 WeakPolarHBondContact O-CB 3.27Å; N45-K48 PolarHBondContact O-N 3.26Å; N45-K48 VanDerWaalsContact O-N 3.15Å; E46-K48 PolarHBondContact O-N 3.3Å |
| 49 | D | 88.8 | Confident | 90.1 | Very high | 38 Ų | 38 | 46 Ų | 46 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -61.2 | 156.6 | 177.3 | -169.5 | -81.4 | 0 | 0 | 0 | 110.3 | R12 E46 S51 V54 K55 | R12-D49 IonicContact NH1-OD2 2.8Å; R12-D49 PolarHBondContact NH1-OD2 3.33Å; E46-D49 VanDerWaalsContact O-CB 3.28Å; E46-D49 WeakPolarHBondContact O-CB 3.46Å; E46-D49 PolarHBondContact O-N 3.23Å; E46-D49 VanDerWaalsContact O-N 3.08Å; D49-S51 WeakPolarHBondContact OD1-CA 3.37Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 3.38Å; D49-S51 PolarHBondContact OD1-OG 3.13Å; D49-V54 HydrophobicContact CB-CB 4.22Å; D49-V54 HydrophobicContact CB-CG1 3.98Å; D49-K55 WeakPolarHBondContact O-CE 3.48Å; D49-K55 PolarHBondContact O-NZ 3.16Å |
| 50 | S | 86.3 | Confident | 90.3 | Very high | 110 Ų | 110 | 47.4 Ų | 47.4 | 77% | 0.769 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -84.9 | -14.3 | 179.7 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 51 | S | 88.3 | Confident | 90.4 | Very high | 38 Ų | 38 | 46.6 Ų | 46.6 | 27% | 0.266 | 25% | 0.25 | S | S | . | . | trans | -87.6 | 130.8 | -173.5 | 70.6 | 0 | 0 | 0 | 0 | 112.7 | D49 S53 V54 K55 | D49-S51 WeakPolarHBondContact OD1-CA 3.37Å; D49-S51 WeakPolarHBondContact OD1-CB 3.39Å; D49-S51 PolarHBondContact OD1-N 3.38Å; D49-S51 PolarHBondContact OD1-OG 3.13Å; S51-S53 PolarHBondContact O-N 3.45Å; S51-V54 PolarHBondContact O-N 3.08Å; S51-V54 WeakPolarHBondContact OG-CB 3.26Å; S51-V54 WeakPolarHBondContact OG-CG2 3.47Å; S51-K55 PolarHBondContact O-N 3.43Å | ||
| 52 | F | 89.4 | Confident | 90.5 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -28.5 | 175.2 | -76 | -74 | 0 | 0 | 0 | 113.6 | A56 E81 F90 | F52-A56 WeakPolarHBondContact O-CB 3.41Å; F52-A56 PolarHBondContact O-N 3.44Å; F52-E81 HydrophobicContact CE1-CG 4.2Å; F52-E81 WeakPolarHBondContact CE1-O 3.22Å; F52-F90 HydrophobicContact CB-CD2 3.76Å; F52-F90 HydrophobicContact CB-CE2 4.08Å |
| 53 | S | 88.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 40 Ų | 40 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67 | -46.8 | -179.4 | -164.8 | 0 | 0 | 0 | 0 | 111.8 | S51 N57 | S51-S53 PolarHBondContact O-N 3.45Å; S53-N57 PolarHBondContact O-N 3.31Å; S53-N57 VanDerWaalsContact O-N 3.09Å |
| 54 | V | 89.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 9% | 0.085 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -46.5 | 178.7 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | E46 D49 S51 A56 N57 A58 | E46-V54 HydrophobicContact CB-CG1 3.78Å; E46-V54 HydrophobicContact CG-CG1 4.11Å; D49-V54 HydrophobicContact CB-CB 4.22Å; D49-V54 HydrophobicContact CB-CG1 3.98Å; S51-V54 PolarHBondContact O-N 3.08Å; S51-V54 WeakPolarHBondContact OG-CB 3.26Å; S51-V54 WeakPolarHBondContact OG-CG2 3.47Å; V54-A56 PolarHBondContact O-N 3.01Å; V54-N57 PolarHBondContact O-N 2.99Å; V54-A58 WeakPolarHBondContact O-CB 3.45Å; V54-A58 PolarHBondContact O-N 2.65Å |
| 55 | K | 92.4 | Very high | 90.4 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 175.6 | -68.2 | -169.4 | -172.6 | -173.8 | 0 | 112.8 | L47 D49 S51 N57 A58 I59 E81 V82 | L47-K55 WeakPolarHBondContact O-CE 3.4Å; D49-K55 WeakPolarHBondContact O-CE 3.48Å; D49-K55 PolarHBondContact O-NZ 3.16Å; S51-K55 PolarHBondContact O-N 3.43Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 PolarHBondContact O-N 3.38Å; K55-A58 WeakPolarHBondContact O-CB 3.44Å; K55-A58 PolarHBondContact O-N 2.92Å; K55-I59 WeakPolarHBondContact O-CB 3.35Å; K55-I59 VanDerWaalsContact O-CG1 3.27Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å; K55-I59 PolarHBondContact O-N 3.06Å; K55-E81 IonicContact NZ-OE1 2.72Å; K55-E81 PolarHBondContact NZ-OE1 2.99Å; K55-E81 IonicContact NZ-OE2 3.25Å; K55-E81 PolarHBondContact NZ-OE2 3.15Å; K55-V82 HydrophobicContact CB-CG2 3.71Å |
| 56 | A | 92.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -39.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F52 V54 I59 S60 V82 F90 I93 | F52-A56 WeakPolarHBondContact O-CB 3.41Å; F52-A56 PolarHBondContact O-N 3.44Å; V54-A56 PolarHBondContact O-N 3.01Å; A56-I59 PolarHBondContact O-N 3.11Å; A56-S60 WeakPolarHBondContact O-CB 3.4Å; A56-S60 PolarHBondContact O-N 2.96Å; A56-V82 HydrophobicContact CB-CG1 4.23Å; A56-F90 HydrophobicContact CB-CB 4.1Å; A56-F90 HydrophobicContact CB-CD1 3.45Å; A56-F90 VanDerWaalsContact CB-CD1 3.45Å; A56-F90 HydrophobicContact CB-CE1 4.13Å; A56-F90 HydrophobicContact CB-CG 3.97Å; A56-I93 HydrophobicContact CB-CD1 4.06Å |
| 57 | N | 91.1 | Very high | 90.3 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 19% | 0.193 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.6 | -170.9 | 35.4 | 0 | 0 | 0 | 111.5 | K16 P18 S53 V54 K55 I59 S60 K61 | K16-N57 PolarHBondContact O-ND2 3.24Å; P18-N57 WeakPolarHBondContact CD-OD1 3.1Å; S53-N57 PolarHBondContact O-N 3.31Å; S53-N57 VanDerWaalsContact O-N 3.09Å; V54-N57 PolarHBondContact O-N 2.99Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 PolarHBondContact O-N 3.38Å; N57-I59 PolarHBondContact O-N 3.28Å; N57-S60 WeakPolarHBondContact O-CB 3.15Å; N57-S60 PolarHBondContact O-N 3.13Å; N57-K61 PolarHBondContact O-N 2.91Å |
| 58 | A | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I43 E46 L47 V54 K55 K61 L62 | I43-A58 HydrophobicContact CG2-CB 4.23Å; E46-A58 HydrophobicContact CB-CB 3.74Å; E46-A58 WeakPolarHBondContact OE2-CB 3.49Å; L47-A58 HydrophobicContact CD2-CB 3.79Å; L47-A58 HydrophobicContact CG-CB 3.9Å; V54-A58 WeakPolarHBondContact O-CB 3.45Å; V54-A58 PolarHBondContact O-N 2.65Å; K55-A58 WeakPolarHBondContact O-CB 3.44Å; K55-A58 PolarHBondContact O-N 2.92Å; A58-K61 WeakPolarHBondContact O-CB 3.23Å; A58-K61 PolarHBondContact O-N 3.31Å; A58-L62 WeakPolarHBondContact O-CB 3.43Å; A58-L62 PolarHBondContact O-N 3.43Å |
| 59 | I | 94.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 174.9 | -68.3 | 179.8 | 0 | 0 | 0 | 111.3 | L47 K55 A56 N57 K61 L62 L63 N78 I79 V82 I93 A97 | L47-I59 HydrophobicContact CD2-CD1 4.45Å; L47-I59 HydrophobicContact CD2-CG1 3.74Å; K55-I59 WeakPolarHBondContact O-CB 3.35Å; K55-I59 VanDerWaalsContact O-CG1 3.27Å; K55-I59 WeakPolarHBondContact O-CG1 3.46Å; K55-I59 PolarHBondContact O-N 3.06Å; A56-I59 PolarHBondContact O-N 3.11Å; N57-I59 PolarHBondContact O-N 3.28Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 2.88Å; I59-L62 WeakPolarHBondContact O-CB 3.45Å; I59-L62 PolarHBondContact O-N 2.61Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.33Å; I59-N78 HydrophobicContact CD1-CB 4.4Å; I59-N78 WeakPolarHBondContact CD1-O 3.27Å; I59-I79 HydrophobicContact CD1-CG1 4.08Å; I59-I79 HydrophobicContact CG2-CG1 4.27Å; I59-V82 HydrophobicContact CD1-CB 3.69Å; I59-V82 HydrophobicContact CD1-CG1 4.29Å; I59-V82 HydrophobicContact CD1-CG2 3.4Å; I59-I93 HydrophobicContact CB-CG2 4.44Å; I59-I93 HydrophobicContact CG2-CG2 4.09Å; I59-A97 HydrophobicContact CG2-CB 3.42Å; I59-A97 VanDerWaalsContact CG2-CB 3.42Å |
| 60 | S | 91.5 | Very high | 89.8 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -37.8 | 175.9 | -169.2 | 0 | 0 | 0 | 0 | 112 | A56 N57 | A56-S60 WeakPolarHBondContact O-CB 3.4Å; A56-S60 PolarHBondContact O-N 2.96Å; N57-S60 WeakPolarHBondContact O-CB 3.15Å; N57-S60 PolarHBondContact O-N 3.13Å |
| 61 | K | 91.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 171.2 | -77.4 | -175 | -72.1 | -165.4 | 0 | 111.3 | K16 P18 L21 I43 E46 N57 A58 I59 L63 Y64 I65 | K16-K61 WeakPolarHBondContact O-CD 3.42Å; K16-K61 WeakPolarHBondContact O-CE 3.32Å; K16-K61 PolarHBondContact O-NZ 3.2Å; P18-K61 HydrophobicContact CB-CG 4.35Å; L21-K61 HydrophobicContact CB-CG 4.39Å; L21-K61 HydrophobicContact CD2-CB 3.83Å; L21-K61 HydrophobicContact CD2-CG 4.02Å; L21-K61 WeakPolarHBondContact CD2-O 3.48Å; I43-K61 HydrophobicContact CD1-CB 3.73Å; I43-K61 HydrophobicContact CG1-CB 4.12Å; E46-K61 IonicContact OE1-NZ 2.66Å; E46-K61 PolarHBondContact OE1-NZ 3.18Å; E46-K61 WeakPolarHBondContact OE2-CE 3.43Å; E46-K61 IonicContact OE2-NZ 3.88Å; E46-K61 PolarHBondContact OE2-NZ 3.5Å; N57-K61 PolarHBondContact O-N 2.91Å; A58-K61 WeakPolarHBondContact O-CB 3.23Å; A58-K61 PolarHBondContact O-N 3.31Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 2.88Å; K61-L63 VanDerWaalsContact C-N 3.29Å; K61-L63 PolarHBondContact O-N 3.32Å; K61-Y64 PolarHBondContact O-N 3.39Å; K61-I65 PolarHBondContact O-N 2.92Å; K61-I65 VanDerWaalsContact O-N 3.14Å |
| 62 | L | 91.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 179.4 | -171.1 | 63 | 0 | 0 | 0 | 112.4 | L40 I43 A58 I59 Y64 I65 Q66 T72 W74 A75 | L40-L62 HydrophobicContact CD2-CD1 3.93Å; I43-L62 HydrophobicContact CG2-CB 4.28Å; I43-L62 HydrophobicContact CG2-CD1 4.41Å; A58-L62 WeakPolarHBondContact O-CB 3.43Å; A58-L62 PolarHBondContact O-N 3.43Å; I59-L62 WeakPolarHBondContact O-CB 3.45Å; I59-L62 PolarHBondContact O-N 2.61Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 3.34Å; L62-I65 PolarHBondContact O-N 3.19Å; L62-Q66 PolarHBondContact O-N 2.89Å; L62-T72 HydrophobicContact CD1-CG2 3.48Å; L62-T72 VanDerWaalsContact CD1-CG2 3.48Å; L62-T72 HydrophobicContact CD2-CG2 4.28Å; L62-T72 HydrophobicContact CG-CG2 3.62Å; L62-W74 HydrophobicContact CD1-CH2 3.93Å; L62-W74 HydrophobicContact CD1-CZ2 3.56Å; L62-W74 HydrophobicContact CD2-CH2 4.1Å; L62-W74 HydrophobicContact CD2-CZ2 4.26Å; L62-A75 HydrophobicContact CD2-CB 3.17Å |
| 63 | L | 90.9 | Very high | 89.5 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 175.4 | -166.5 | 69.7 | 0 | 0 | 0 | 111.9 | I59 K61 Q66 M67 L96 A97 Q100 | I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 PolarHBondContact O-N 3.33Å; K61-L63 VanDerWaalsContact C-N 3.29Å; K61-L63 PolarHBondContact O-N 3.32Å; L63-Q66 WeakPolarHBondContact O-CB 3.34Å; L63-Q66 PolarHBondContact O-N 2.96Å; L63-M67 WeakPolarHBondContact O-CG 3.27Å; L63-M67 PolarHBondContact O-N 3.15Å; L63-L96 HydrophobicContact CD2-CD2 3.77Å; L63-L96 HydrophobicContact CD2-CG 3.85Å; L63-A97 HydrophobicContact CD1-CB 4.19Å; L63-Q100 HydrophobicContact CD1-CB 3.89Å; L63-Q100 HydrophobicContact CD1-CG 4.08Å; L63-Q100 VanDerWaalsContact CG-OE1 3.25Å |
| 64 | Y | 89.5 | Confident | 89.5 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.8 | -175 | -97.1 | 0 | 0 | 0 | 111.5 | L21 V22 I25 K61 L62 Q66 M67 L68 | L21-Y64 HydrophobicContact CD2-CD1 4.19Å; V22-Y64 HydrophobicContact CG2-CD1 4.04Å; V22-Y64 HydrophobicContact CG2-CD2 3.95Å; V22-Y64 HydrophobicContact CG2-CE1 3.77Å; V22-Y64 HydrophobicContact CG2-CE2 3.67Å; V22-Y64 HydrophobicContact CG2-CG 4.14Å; I25-Y64 HydrophobicContact CD1-CD1 4.03Å; I25-Y64 HydrophobicContact CD1-CE1 3.68Å; K61-Y64 PolarHBondContact O-N 3.39Å; L62-Y64 VanDerWaalsContact C-N 3.33Å; L62-Y64 PolarHBondContact O-N 3.34Å; Y64-Q66 VanDerWaalsContact C-N 3.3Å; Y64-Q66 PolarHBondContact O-N 3.39Å; Y64-M67 HydrophobicContact CD2-CE 4.43Å; Y64-M67 WeakPolarHBondContact O-CB 3.39Å; Y64-M67 PolarHBondContact O-N 3.34Å; Y64-L68 HydrophobicContact CD1-CD1 4.23Å; Y64-L68 HydrophobicContact CE1-CD1 3.81Å; Y64-L68 HydrophobicContact CE1-CG 4.24Å; Y64-L68 PolarHBondContact O-N 2.88Å |
| 65 | I | 89.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.1 | -65.3 | 174.9 | 0 | 0 | 0 | 111 | L21 I36 C39 L40 I43 K61 L62 M67 L68 Y70 | L21-I65 HydrophobicContact CD1-CD1 4.41Å; L21-I65 HydrophobicContact CD2-CD1 4.06Å; L21-I65 HydrophobicContact CD2-CG1 3.89Å; I36-I65 HydrophobicContact CG2-CG2 4.07Å; C39-I65 HydrophobicContact CB-CD1 4.41Å; L40-I65 HydrophobicContact CD2-CD1 3.96Å; L40-I65 HydrophobicContact CD2-CG2 3.86Å; L40-I65 HydrophobicContact CG-CD1 4.24Å; L40-I65 HydrophobicContact CG-CG2 4.34Å; I43-I65 HydrophobicContact CD1-CD1 3.41Å; I43-I65 VanDerWaalsContact CD1-CD1 3.41Å; K61-I65 PolarHBondContact O-N 2.92Å; K61-I65 VanDerWaalsContact O-N 3.14Å; L62-I65 PolarHBondContact O-N 3.19Å; I65-M67 VanDerWaalsContact C-N 3.34Å; I65-M67 PolarHBondContact O-N 3.38Å; I65-L68 WeakPolarHBondContact O-CB 3.5Å; I65-L68 PolarHBondContact O-N 2.93Å; I65-L68 VanDerWaalsContact O-N 3.15Å; I65-Y70 VanDerWaalsContact CG2-CB 3.49Å; I65-Y70 HydrophobicContact CG2-CD2 3.86Å; I65-Y70 HydrophobicContact CG2-CG 3.76Å; I65-Y70 PolarHBondContact O-N 3.37Å |
| 66 | Q | 88.7 | Confident | 89.4 | Confident | 45 Ų | 45 | 39.4 Ų | 39.4 | 21% | 0.21 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | 173.2 | -163.6 | -176.8 | -30.3 | 0 | 0 | 112 | L62 L63 Y64 L68 G69 T72 Q100 | L62-Q66 PolarHBondContact O-N 2.89Å; L63-Q66 WeakPolarHBondContact O-CB 3.34Å; L63-Q66 PolarHBondContact O-N 2.96Å; Y64-Q66 VanDerWaalsContact C-N 3.3Å; Y64-Q66 PolarHBondContact O-N 3.39Å; Q66-L68 PolarHBondContact O-N 3.12Å; Q66-G69 WeakPolarHBondContact O-CA 3.37Å; Q66-G69 PolarHBondContact O-N 2.81Å; Q66-T72 HydrophobicContact CB-CG2 3.58Å; Q66-T72 HydrophobicContact CG-CG2 3.86Å; Q66-T72 WeakPolarHBondContact CG-OG1 3.49Å; Q66-T72 PolarHBondContact OE1-OG1 2.85Å; Q66-Q100 PolarHBondContact NE2-O 2.95Å |
| 67 | M | 88.3 | Confident | 89.4 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 61% | 0.606 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.5 | -25.4 | 176 | -73.8 | 174.5 | 34.6 | 0 | 0 | 112.9 | L63 Y64 I65 | L63-M67 WeakPolarHBondContact O-CG 3.27Å; L63-M67 PolarHBondContact O-N 3.15Å; Y64-M67 HydrophobicContact CD2-CE 4.43Å; Y64-M67 WeakPolarHBondContact O-CB 3.39Å; Y64-M67 PolarHBondContact O-N 3.34Å; I65-M67 VanDerWaalsContact C-N 3.34Å; I65-M67 PolarHBondContact O-N 3.38Å |
| 68 | L | 86.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 45.2 Ų | 45.2 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -5.1 | 172.4 | -62.4 | 176.6 | 0 | 0 | 0 | 113.3 | I25 I36 Y64 I65 Q66 Y70 | I25-L68 HydrophobicContact CD1-CD1 3.86Å; I36-L68 HydrophobicContact CD1-CD1 3.99Å; Y64-L68 HydrophobicContact CD1-CD1 4.23Å; Y64-L68 HydrophobicContact CE1-CD1 3.81Å; Y64-L68 HydrophobicContact CE1-CG 4.24Å; Y64-L68 PolarHBondContact O-N 2.88Å; I65-L68 WeakPolarHBondContact O-CB 3.5Å; I65-L68 PolarHBondContact O-N 2.93Å; I65-L68 VanDerWaalsContact O-N 3.15Å; Q66-L68 PolarHBondContact O-N 3.12Å; L68-Y70 HydrophobicContact CB-CD2 3.94Å; L68-Y70 HydrophobicContact CB-CE2 4.07Å |
| 69 | G | 86.2 | Confident | 89.5 | Confident | 69 Ų | 69 | 45.3 Ų | 45.3 | 71% | 0.711 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98.3 | 10.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q66 | Q66-G69 WeakPolarHBondContact O-CA 3.37Å; Q66-G69 PolarHBondContact O-N 2.81Å |
| 70 | Y | 87.2 | Confident | 89.4 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | trans | -81.7 | 147.2 | 175.7 | -69.3 | -95.4 | 0 | 0 | 0 | 111.6 | I36 L40 I65 L68 | I36-Y70 HydrophobicContact CB-CE1 4.46Å; I36-Y70 HydrophobicContact CD1-CD2 4.48Å; I36-Y70 HydrophobicContact CD1-CE2 3.51Å; I36-Y70 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y70 HydrophobicContact CG2-CD1 4.03Å; I36-Y70 HydrophobicContact CG2-CD2 4.16Å; I36-Y70 HydrophobicContact CG2-CE1 3.72Å; I36-Y70 HydrophobicContact CG2-CE2 3.88Å; I36-Y70 HydrophobicContact CG2-CG 4.24Å; L40-Y70 HydrophobicContact CD1-CD1 4.32Å; I65-Y70 VanDerWaalsContact CG2-CB 3.49Å; I65-Y70 HydrophobicContact CG2-CD2 3.86Å; I65-Y70 HydrophobicContact CG2-CG 3.76Å; I65-Y70 PolarHBondContact O-N 3.37Å; L68-Y70 HydrophobicContact CB-CD2 3.94Å; L68-Y70 HydrophobicContact CB-CE2 4.07Å | ||
| 71 | D | 86 | Confident | 89.4 | Confident | 106 Ų | 106 | 47.9 Ų | 47.9 | 57% | 0.567 | 25% | 0.25 | S | S | * | . | trans | -73.6 | 128.4 | 179.3 | 179.3 | 32.9 | 0 | 0 | 0 | 112.3 | S73 W74 | D71-S73 WeakPolarHBondContact OD1-CB 3.45Å; D71-S73 PolarHBondContact OD1-N 3.29Å; D71-S73 PolarHBondContact OD1-OG 2.98Å; D71-W74 PolarHBondContact O-NE1 2.94Å | ||
| 72 | T | 86.2 | Confident | 89.4 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | trans | -120.3 | 8.5 | -179.6 | 63.2 | 0 | 0 | 0 | 0 | 112.7 | L62 Q66 W74 A75 | L62-T72 HydrophobicContact CD1-CG2 3.48Å; L62-T72 VanDerWaalsContact CD1-CG2 3.48Å; L62-T72 HydrophobicContact CD2-CG2 4.28Å; L62-T72 HydrophobicContact CG-CG2 3.62Å; Q66-T72 HydrophobicContact CB-CG2 3.58Å; Q66-T72 HydrophobicContact CG-CG2 3.86Å; Q66-T72 WeakPolarHBondContact CG-OG1 3.49Å; Q66-T72 PolarHBondContact OE1-OG1 2.85Å; T72-W74 PolarHBondContact O-N 3.1Å; T72-W74 VanDerWaalsContact O-N 3.09Å; T72-A75 PolarHBondContact O-N 2.69Å | ||
| 73 | S | 85.2 | Confident | 89.5 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 47% | 0.469 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -56.2 | -30.6 | -177 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | D71 A75 V76 | D71-S73 WeakPolarHBondContact OD1-CB 3.45Å; D71-S73 PolarHBondContact OD1-N 3.29Å; D71-S73 PolarHBondContact OD1-OG 2.98Å; S73-A75 PolarHBondContact O-N 3.42Å; S73-V76 WeakPolarHBondContact O-CG2 3.12Å; S73-V76 PolarHBondContact O-N 2.83Å |
| 74 | W | 88.9 | Confident | 89.6 | Confident | 90 Ų | 90 | 48.4 Ų | 48.4 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -67.6 | -15.9 | 177.7 | 55.2 | -93.3 | 0 | 0 | 0 | 114.1 | L40 I43 K44 L47 L62 D71 T72 | L40-W74 HydrophobicContact CD2-CZ2 4.02Å; I43-W74 HydrophobicContact CG2-CH2 4.12Å; K44-W74 HydrophobicContact CG-CE3 4.15Å; K44-W74 HydrophobicContact CG-CH2 3.58Å; K44-W74 HydrophobicContact CG-CZ2 4.25Å; K44-W74 HydrophobicContact CG-CZ3 3.52Å; L47-W74 HydrophobicContact CD1-CH2 3.83Å; L47-W74 HydrophobicContact CD1-CZ3 3.47Å; L47-W74 VanDerWaalsContact CD1-CZ3 3.47Å; L62-W74 HydrophobicContact CD1-CH2 3.93Å; L62-W74 HydrophobicContact CD1-CZ2 3.56Å; L62-W74 HydrophobicContact CD2-CH2 4.1Å; L62-W74 HydrophobicContact CD2-CZ2 4.26Å; D71-W74 PolarHBondContact O-NE1 2.94Å; T72-W74 PolarHBondContact O-N 3.1Å; T72-W74 VanDerWaalsContact O-N 3.09Å |
| 75 | A | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -100.1 | 5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | L47 L62 T72 S73 F77 N78 I79 | L47-A75 HydrophobicContact CD1-CB 4.19Å; L62-A75 HydrophobicContact CD2-CB 3.17Å; T72-A75 PolarHBondContact O-N 2.69Å; S73-A75 PolarHBondContact O-N 3.42Å; A75-F77 VanDerWaalsContact C-N 3.28Å; A75-F77 PolarHBondContact O-N 3.34Å; A75-N78 WeakPolarHBondContact O-CB 3.21Å; A75-N78 PolarHBondContact O-N 3.44Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.27Å |
| 76 | V | 89.9 | Confident | 89.8 | Confident | 13 Ų | 13 | 53 Ų | 53 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -54.7 | -41.2 | -175.4 | 165.8 | 0 | 0 | 0 | 0 | 112.4 | S73 I79 V80 F102 T106 V108 | S73-V76 WeakPolarHBondContact O-CG2 3.12Å; S73-V76 PolarHBondContact O-N 2.83Å; V76-I79 WeakPolarHBondContact O-CB 3.36Å; V76-I79 PolarHBondContact O-N 2.63Å; V76-V80 PolarHBondContact O-N 2.66Å; V76-V80 VanDerWaalsContact O-N 3.12Å; V76-F102 HydrophobicContact CB-CE1 4.2Å; V76-F102 HydrophobicContact CG1-CD1 4.3Å; V76-F102 HydrophobicContact CG1-CE1 3.65Å; V76-F102 HydrophobicContact CG1-CZ 4.16Å; V76-F102 HydrophobicContact CG2-CD1 4.39Å; V76-F102 HydrophobicContact CG2-CE1 4.12Å; V76-T106 HydrophobicContact CG1-CG2 3.67Å; V76-T106 HydrophobicContact CG2-CG2 4.47Å; V76-V108 HydrophobicContact CB-CG2 4.49Å; V76-V108 HydrophobicContact CG1-CB 3.61Å; V76-V108 HydrophobicContact CG1-CG1 4.13Å; V76-V108 HydrophobicContact CG1-CG2 3.53Å |
| 77 | F | 90.7 | Very high | 90 | Very high | 127 Ų | 127 | 57.6 Ų | 57.6 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.2 | -41 | 177 | -76.3 | -79 | 0 | 0 | 0 | 112.9 | A75 I79 V80 E81 V108 L111 | A75-F77 VanDerWaalsContact C-N 3.28Å; A75-F77 PolarHBondContact O-N 3.34Å; F77-I79 VanDerWaalsContact C-N 3.25Å; F77-I79 PolarHBondContact O-N 2.8Å; F77-V80 PolarHBondContact O-N 2.7Å; F77-E81 PolarHBondContact O-N 3.23Å; F77-V108 HydrophobicContact CD1-CG1 3.73Å; F77-V108 HydrophobicContact CD1-CG2 4.28Å; F77-V108 HydrophobicContact CD2-CG2 4.16Å; F77-V108 HydrophobicContact CE1-CB 4.4Å; F77-V108 HydrophobicContact CE1-CG1 3.66Å; F77-V108 HydrophobicContact CE1-CG2 3.84Å; F77-V108 HydrophobicContact CE2-CG2 3.68Å; F77-V108 HydrophobicContact CG-CG1 4.36Å; F77-V108 HydrophobicContact CG-CG2 4.44Å; F77-V108 HydrophobicContact CZ-CG1 4.23Å; F77-V108 HydrophobicContact CZ-CG2 3.51Å; F77-L111 HydrophobicContact CE1-CD1 4.08Å |
| 78 | N | 92.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 54.9 Ų | 54.9 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.8 | -32.5 | 177.5 | -59.3 | 69.6 | 0 | 0 | 0 | 111.3 | L47 I59 A75 E81 V82 | L47-N78 HydrophobicContact CD2-CB 3.87Å; L47-N78 PolarHBondContact O-ND2 2.87Å; I59-N78 HydrophobicContact CD1-CB 4.4Å; I59-N78 WeakPolarHBondContact CD1-O 3.27Å; A75-N78 WeakPolarHBondContact O-CB 3.21Å; A75-N78 PolarHBondContact O-N 3.44Å; N78-E81 WeakPolarHBondContact O-CB 3.46Å; N78-E81 PolarHBondContact O-N 3.28Å; N78-V82 WeakPolarHBondContact O-CG2 3.21Å; N78-V82 PolarHBondContact O-N 3.38Å |
| 79 | I | 93.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.6 | -49.6 | 172.2 | -64.1 | 170.8 | 0 | 0 | 0 | 110.5 | I59 A75 V76 F77 E81 V82 M83 G94 A97 A98 S101 F102 | I59-I79 HydrophobicContact CD1-CG1 4.08Å; I59-I79 HydrophobicContact CG2-CG1 4.27Å; A75-I79 WeakPolarHBondContact O-CG1 3.45Å; A75-I79 PolarHBondContact O-N 3.27Å; V76-I79 WeakPolarHBondContact O-CB 3.36Å; V76-I79 PolarHBondContact O-N 2.63Å; F77-I79 VanDerWaalsContact C-N 3.25Å; F77-I79 PolarHBondContact O-N 2.8Å; I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 PolarHBondContact O-N 2.87Å; I79-V82 PolarHBondContact O-N 2.85Å; I79-M83 HydrophobicContact CG2-SD 4.23Å; I79-M83 VanDerWaalsContact O-CG 3.28Å; I79-M83 WeakPolarHBondContact O-CG 3.16Å; I79-M83 PolarHBondContact O-N 2.81Å; I79-G94 WeakPolarHBondContact CG2-O 3.42Å; I79-A97 HydrophobicContact CD1-CB 4.06Å; I79-A97 HydrophobicContact CG1-CB 4.07Å; I79-A97 HydrophobicContact CG2-CB 3.97Å; I79-A98 HydrophobicContact CG2-CB 3.89Å; I79-S101 VanDerWaalsContact CD1-OG 3.28Å; I79-S101 WeakPolarHBondContact CD1-OG 3.48Å; I79-F102 HydrophobicContact CB-CE1 4.17Å; I79-F102 HydrophobicContact CB-CZ 4.08Å; I79-F102 HydrophobicContact CD1-CE1 4.29Å; I79-F102 HydrophobicContact CG2-CE1 3.93Å; I79-F102 HydrophobicContact CG2-CZ 3.65Å |
| 80 | V | 91.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 13% | 0.133 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 176 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | V76 F77 M83 S84 F102 V108 A112 L115 | V76-V80 PolarHBondContact O-N 2.66Å; V76-V80 VanDerWaalsContact O-N 3.12Å; F77-V80 PolarHBondContact O-N 2.7Å; V80-M83 HydrophobicContact CG2-SD 4.45Å; V80-M83 WeakPolarHBondContact O-CB 3.13Å; V80-M83 PolarHBondContact O-N 2.94Å; V80-S84 PolarHBondContact O-N 3.15Å; V80-S84 VanDerWaalsContact O-N 3.15Å; V80-F102 HydrophobicContact CG2-CE2 4.08Å; V80-F102 HydrophobicContact CG2-CZ 3.7Å; V80-V108 HydrophobicContact CG2-CG1 3.84Å; V80-A112 HydrophobicContact CG1-CB 4.28Å; V80-A112 HydrophobicContact CG2-CB 4.48Å; V80-L115 HydrophobicContact CG1-CD2 4.1Å |
| 81 | E | 91.8 | Very high | 91.3 | Very high | 67 Ų | 67 | 50.2 Ų | 50.2 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 174.8 | -169.1 | -175.6 | 172.5 | 0 | 0 | 111.3 | F52 K55 F77 N78 I79 M83 S84 | F52-E81 HydrophobicContact CE1-CG 4.2Å; F52-E81 WeakPolarHBondContact CE1-O 3.22Å; K55-E81 IonicContact NZ-OE1 2.72Å; K55-E81 PolarHBondContact NZ-OE1 2.99Å; K55-E81 IonicContact NZ-OE2 3.25Å; K55-E81 PolarHBondContact NZ-OE2 3.15Å; F77-E81 PolarHBondContact O-N 3.23Å; N78-E81 WeakPolarHBondContact O-CB 3.46Å; N78-E81 PolarHBondContact O-N 3.28Å; I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 PolarHBondContact O-N 2.87Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 2.93Å; E81-S84 WeakPolarHBondContact O-CA 3.36Å; E81-S84 WeakPolarHBondContact O-CB 3.42Å; E81-S84 PolarHBondContact O-N 3.44Å; E81-S84 PolarHBondContact O-OG 3.41Å |
| 82 | V | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -31.6 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | K55 A56 I59 N78 I79 S84 S85 F90 | K55-V82 HydrophobicContact CB-CG2 3.71Å; A56-V82 HydrophobicContact CB-CG1 4.23Å; I59-V82 HydrophobicContact CD1-CB 3.69Å; I59-V82 HydrophobicContact CD1-CG1 4.29Å; I59-V82 HydrophobicContact CD1-CG2 3.4Å; N78-V82 WeakPolarHBondContact O-CG2 3.21Å; N78-V82 PolarHBondContact O-N 3.38Å; I79-V82 PolarHBondContact O-N 2.85Å; V82-S84 PolarHBondContact O-N 3.43Å; V82-S85 VanDerWaalsContact O-CB 3.27Å; V82-S85 WeakPolarHBondContact O-CB 3.21Å; V82-S85 PolarHBondContact O-N 3.19Å; V82-F90 HydrophobicContact CG1-CB 4.37Å; V82-F90 VanDerWaalsContact CG1-O 3.22Å; V82-F90 WeakPolarHBondContact CG1-O 3.15Å |
| 83 | M | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -33.1 | 169 | -69.4 | 166.2 | 63.5 | 0 | 0 | 112 | I79 V80 E81 S85 K91 G94 Y95 A98 F102 L115 I116 | I79-M83 HydrophobicContact CG2-SD 4.23Å; I79-M83 VanDerWaalsContact O-CG 3.28Å; I79-M83 WeakPolarHBondContact O-CG 3.16Å; I79-M83 PolarHBondContact O-N 2.81Å; V80-M83 HydrophobicContact CG2-SD 4.45Å; V80-M83 WeakPolarHBondContact O-CB 3.13Å; V80-M83 PolarHBondContact O-N 2.94Å; E81-M83 VanDerWaalsContact C-N 3.3Å; E81-M83 PolarHBondContact O-N 2.93Å; M83-S85 PolarHBondContact O-N 3.09Å; M83-K91 WeakPolarHBondContact O-CE 3.48Å; M83-G94 VanDerWaalsContact CG-C 3.45Å; M83-Y95 HydrophobicContact CB-CE2 4.41Å; M83-Y95 HydrophobicContact CE-CD1 3.98Å; M83-Y95 HydrophobicContact CE-CE1 3.61Å; M83-Y95 HydrophobicContact CE-CE2 4.37Å; M83-Y95 HydrophobicContact CG-CD2 4.35Å; M83-Y95 HydrophobicContact CG-CG 4.49Å; M83-A98 HydrophobicContact CE-CB 4.46Å; M83-A98 HydrophobicContact SD-CB 3.69Å; M83-F102 HydrophobicContact SD-CE2 4.01Å; M83-F102 HydrophobicContact SD-CZ 4.34Å; M83-L115 HydrophobicContact CB-CD2 3.91Å; M83-I116 HydrophobicContact CE-CG1 4.38Å |
| 84 | S | 92.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 49.3 Ų | 49.3 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.4 | -179.8 | 82.4 | 0 | 0 | 0 | 0 | 115.2 | V80 E81 V82 | V80-S84 PolarHBondContact O-N 3.15Å; V80-S84 VanDerWaalsContact O-N 3.15Å; E81-S84 WeakPolarHBondContact O-CA 3.36Å; E81-S84 WeakPolarHBondContact O-CB 3.42Å; E81-S84 PolarHBondContact O-N 3.44Å; E81-S84 PolarHBondContact O-OG 3.41Å; V82-S84 PolarHBondContact O-N 3.43Å |
| 85 | S | 92.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | trans | -57.6 | 138.4 | 178.4 | 167.4 | 0 | 0 | 0 | 0 | 112.4 | V82 M83 K87 K91 | V82-S85 VanDerWaalsContact O-CB 3.27Å; V82-S85 WeakPolarHBondContact O-CB 3.21Å; V82-S85 PolarHBondContact O-N 3.19Å; M83-S85 PolarHBondContact O-N 3.09Å; S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact OG-N 3.31Å; S85-K87 VanDerWaalsContact OG-N 3.09Å; S85-K87 PolarHBondContact OG-O 3.03Å; S85-K91 WeakPolarHBondContact O-CE 3.39Å | ||
| 86 | Q | 91 | Very high | 93.1 | Very high | 152 Ų | 152 | 49 Ų | 49 | 71% | 0.71 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -75.8 | -21.3 | 174.2 | -56.1 | -60.8 | -17.6 | 0 | 0 | 113 | ||
| 87 | K | 92.1 | Very high | 93.3 | Very high | 141 Ų | 141 | 48.4 Ų | 48.4 | 61% | 0.613 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -82.1 | 121.3 | 174.6 | -70.7 | -174.6 | 176.7 | -176.4 | 0 | 110.1 | S85 T89 F90 K91 | S85-K87 VanDerWaalsContact C-N 3.33Å; S85-K87 PolarHBondContact OG-N 3.31Å; S85-K87 VanDerWaalsContact OG-N 3.09Å; S85-K87 PolarHBondContact OG-O 3.03Å; K87-T89 VanDerWaalsContact C-N 3.28Å; K87-T89 PolarHBondContact O-N 2.93Å; K87-F90 HydrophobicContact CB-CD2 3.91Å; K87-F90 HydrophobicContact CB-CE2 4.38Å; K87-F90 HydrophobicContact CD-CD2 4.16Å; K87-F90 HydrophobicContact CD-CE2 3.78Å; K87-F90 PolarHBondContact O-N 2.73Å; K87-K91 PolarHBondContact O-N 2.85Å |
| 88 | F | 92.4 | Very high | 93.4 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.5 | -39.7 | -179 | -179.5 | -105.8 | 0 | 0 | 0 | 113.2 | F90 K91 R92 I130 | F88-F90 VanDerWaalsContact C-N 3.33Å; F88-F90 PolarHBondContact O-N 3.16Å; F88-K91 PolarHBondContact O-N 2.92Å; F88-R92 VanDerWaalsContact O-CB 3.29Å; F88-R92 WeakPolarHBondContact O-CB 3.29Å; F88-R92 PolarHBondContact O-N 2.92Å; F88-I130 HydrophobicContact CE2-CB 4.3Å; F88-I130 HydrophobicContact CE2-CG2 4.08Å |
| 89 | T | 93.2 | Very high | 93.4 | Very high | 81 Ų | 81 | 42.3 Ų | 42.3 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.1 | -44.1 | -179.9 | -46.7 | 0 | 0 | 0 | 0 | 112.7 | K87 I93 | K87-T89 VanDerWaalsContact C-N 3.28Å; K87-T89 PolarHBondContact O-N 2.93Å; T89-I93 WeakPolarHBondContact O-CG1 3.46Å; T89-I93 PolarHBondContact O-N 2.66Å |
| 90 | F | 94.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.1 | -40.8 | 178.6 | -55.9 | -36.2 | 0 | 0 | 0 | 111.3 | F52 A56 V82 K87 F88 R92 I93 G94 | F52-F90 HydrophobicContact CB-CD2 3.76Å; F52-F90 HydrophobicContact CB-CE2 4.08Å; A56-F90 HydrophobicContact CB-CB 4.1Å; A56-F90 HydrophobicContact CB-CD1 3.45Å; A56-F90 VanDerWaalsContact CB-CD1 3.45Å; A56-F90 HydrophobicContact CB-CE1 4.13Å; A56-F90 HydrophobicContact CB-CG 3.97Å; V82-F90 HydrophobicContact CG1-CB 4.37Å; V82-F90 VanDerWaalsContact CG1-O 3.22Å; V82-F90 WeakPolarHBondContact CG1-O 3.15Å; K87-F90 HydrophobicContact CB-CD2 3.91Å; K87-F90 HydrophobicContact CB-CE2 4.38Å; K87-F90 HydrophobicContact CD-CD2 4.16Å; K87-F90 HydrophobicContact CD-CE2 3.78Å; K87-F90 PolarHBondContact O-N 2.73Å; F88-F90 VanDerWaalsContact C-N 3.33Å; F88-F90 PolarHBondContact O-N 3.16Å; F90-R92 VanDerWaalsContact C-N 3.26Å; F90-R92 PolarHBondContact O-N 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.45Å; F90-I93 PolarHBondContact O-N 3.29Å; F90-G94 PolarHBondContact O-N 3.26Å |
| 91 | K | 94.7 | Very high | 93 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.1 | -42.4 | 174.3 | 179.7 | 176.6 | -60.2 | -175 | 0 | 111.6 | M83 S85 K87 F88 I93 G94 Y95 D119 D127 I130 | M83-K91 WeakPolarHBondContact O-CE 3.48Å; S85-K91 WeakPolarHBondContact O-CE 3.39Å; K87-K91 PolarHBondContact O-N 2.85Å; F88-K91 PolarHBondContact O-N 2.92Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 2.98Å; K91-G94 PolarHBondContact O-N 3.23Å; K91-G94 VanDerWaalsContact O-N 3.13Å; K91-Y95 HydrophobicContact CD-CD2 4.34Å; K91-Y95 HydrophobicContact CD-CE2 3.99Å; K91-Y95 HydrophobicContact CG-CD2 3.65Å; K91-Y95 HydrophobicContact CG-CE2 3.72Å; K91-Y95 WeakPolarHBondContact O-CD2 3.37Å; K91-Y95 PolarHBondContact O-N 3.3Å; K91-D119 IonicContact NZ-OD1 3.32Å; K91-D119 PolarHBondContact NZ-OD1 3.34Å; K91-D119 IonicContact NZ-OD2 3.29Å; K91-D127 VanDerWaalsContact CD-OD1 3.32Å; K91-D127 WeakPolarHBondContact CD-OD1 3.34Å; K91-D127 IonicContact NZ-OD1 3.3Å; K91-D127 PolarHBondContact NZ-OD1 3.24Å; K91-I130 HydrophobicContact CD-CG2 4.39Å; K91-I130 HydrophobicContact CG-CG2 4.49Å |
| 92 | R | 96 | Very high | 92.9 | Very high | 123 Ų | 123 | 43.2 Ų | 43.2 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.9 | -43.3 | 175.3 | -175 | 178.9 | 71.2 | 171 | 2.8 | 111.9 | F88 F90 L96 I130 | F88-R92 VanDerWaalsContact O-CB 3.29Å; F88-R92 WeakPolarHBondContact O-CB 3.29Å; F88-R92 PolarHBondContact O-N 2.92Å; F90-R92 VanDerWaalsContact C-N 3.26Å; F90-R92 PolarHBondContact O-N 3.31Å; R92-L96 VanDerWaalsContact O-CB 3.26Å; R92-L96 WeakPolarHBondContact O-CB 3.47Å; R92-L96 PolarHBondContact O-N 3.15Å; R92-I130 HydrophobicContact CG-CD1 4.38Å |
| 93 | I | 94.7 | Very high | 92.5 | Very high | 36 Ų | 36 | 48.1 Ų | 48.1 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.1 | -65 | 165.6 | 0 | 0 | 0 | 110.4 | A56 I59 T89 F90 K91 L96 A97 | A56-I93 HydrophobicContact CB-CD1 4.06Å; I59-I93 HydrophobicContact CB-CG2 4.44Å; I59-I93 HydrophobicContact CG2-CG2 4.09Å; T89-I93 WeakPolarHBondContact O-CG1 3.46Å; T89-I93 PolarHBondContact O-N 2.66Å; F90-I93 WeakPolarHBondContact O-CB 3.45Å; F90-I93 PolarHBondContact O-N 3.29Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 2.98Å; I93-L96 PolarHBondContact O-N 3.26Å; I93-A97 WeakPolarHBondContact O-CB 3.3Å; I93-A97 PolarHBondContact O-N 3.18Å |
| 94 | G | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I79 M83 F90 K91 L96 A97 A98 | I79-G94 WeakPolarHBondContact CG2-O 3.42Å; M83-G94 VanDerWaalsContact CG-C 3.45Å; F90-G94 PolarHBondContact O-N 3.26Å; K91-G94 PolarHBondContact O-N 3.23Å; K91-G94 VanDerWaalsContact O-N 3.13Å; G94-L96 PolarHBondContact O-N 3.19Å; G94-A97 PolarHBondContact O-N 3.45Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 2.95Å |
| 95 | Y | 95.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | 177.5 | -87 | -79.2 | 0 | 0 | 0 | 113.1 | M83 K91 S99 D119 I130 A131 | M83-Y95 HydrophobicContact CB-CE2 4.41Å; M83-Y95 HydrophobicContact CE-CD1 3.98Å; M83-Y95 HydrophobicContact CE-CE1 3.61Å; M83-Y95 HydrophobicContact CE-CE2 4.37Å; M83-Y95 HydrophobicContact CG-CD2 4.35Å; M83-Y95 HydrophobicContact CG-CG 4.49Å; K91-Y95 HydrophobicContact CD-CD2 4.34Å; K91-Y95 HydrophobicContact CD-CE2 3.99Å; K91-Y95 HydrophobicContact CG-CD2 3.65Å; K91-Y95 HydrophobicContact CG-CE2 3.72Å; K91-Y95 WeakPolarHBondContact O-CD2 3.37Å; K91-Y95 PolarHBondContact O-N 3.3Å; Y95-S99 WeakPolarHBondContact O-CB 3.5Å; Y95-S99 PolarHBondContact O-N 3.4Å; Y95-S99 PolarHBondContact O-OG 2.86Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.28Å; Y95-D119 WeakPolarHBondContact OH-CB 3.47Å; Y95-D119 PolarHBondContact OH-OD2 2.82Å; Y95-I130 HydrophobicContact CD2-CG1 4.21Å; Y95-I130 HydrophobicContact CD2-CG2 3.94Å; Y95-I130 HydrophobicContact CE2-CG2 4.27Å; Y95-I130 HydrophobicContact CG-CG1 4.03Å; Y95-I130 HydrophobicContact CG-CG2 4.45Å; Y95-A131 HydrophobicContact CE1-CB 4.03Å |
| 96 | L | 94.5 | Very high | 90.3 | Very high | 81 Ų | 81 | 53.2 Ų | 53.2 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 173.8 | 178.2 | 62.9 | 0 | 0 | 0 | 110.7 | L63 R92 I93 G94 S99 Q100 | L63-L96 HydrophobicContact CD2-CD2 3.77Å; L63-L96 HydrophobicContact CD2-CG 3.85Å; R92-L96 VanDerWaalsContact O-CB 3.26Å; R92-L96 WeakPolarHBondContact O-CB 3.47Å; R92-L96 PolarHBondContact O-N 3.15Å; I93-L96 PolarHBondContact O-N 3.26Å; G94-L96 PolarHBondContact O-N 3.19Å; L96-S99 PolarHBondContact O-N 3.18Å; L96-S99 PolarHBondContact O-OG 2.74Å; L96-Q100 PolarHBondContact O-N 3.19Å |
| 97 | A | 93.2 | Very high | 89.3 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I59 L63 I79 I93 G94 S99 Q100 S101 | I59-A97 HydrophobicContact CG2-CB 3.42Å; I59-A97 VanDerWaalsContact CG2-CB 3.42Å; L63-A97 HydrophobicContact CD1-CB 4.19Å; I79-A97 HydrophobicContact CD1-CB 4.06Å; I79-A97 HydrophobicContact CG1-CB 4.07Å; I79-A97 HydrophobicContact CG2-CB 3.97Å; I93-A97 WeakPolarHBondContact O-CB 3.3Å; I93-A97 PolarHBondContact O-N 3.18Å; G94-A97 PolarHBondContact O-N 3.45Å; A97-S99 VanDerWaalsContact C-N 3.29Å; A97-S99 PolarHBondContact O-N 2.78Å; A97-Q100 PolarHBondContact O-N 3.21Å; A97-S101 WeakPolarHBondContact O-CB 3.36Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 PolarHBondContact O-OG 2.91Å |
| 98 | A | 92.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I79 M83 G94 Q100 S101 F102 F138 | I79-A98 HydrophobicContact CG2-CB 3.89Å; M83-A98 HydrophobicContact CE-CB 4.46Å; M83-A98 HydrophobicContact SD-CB 3.69Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 2.95Å; A98-Q100 PolarHBondContact O-N 3.22Å; A98-S101 PolarHBondContact O-N 3.29Å; A98-F102 HydrophobicContact CB-CD2 3.59Å; A98-F102 HydrophobicContact CB-CE1 4.4Å; A98-F102 HydrophobicContact CB-CE2 3.48Å; A98-F102 VanDerWaalsContact CB-CE2 3.48Å; A98-F102 HydrophobicContact CB-CG 4.14Å; A98-F102 HydrophobicContact CB-CZ 3.9Å; A98-F102 VanDerWaalsContact O-CB 3.26Å; A98-F102 WeakPolarHBondContact O-CB 3.17Å; A98-F102 PolarHBondContact O-N 3.01Å; A98-F138 HydrophobicContact CB-CD1 4.26Å; A98-F138 HydrophobicContact CB-CE1 3.72Å; A98-F138 HydrophobicContact CB-CZ 4.46Å |
| 99 | S | 92.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 43.6 Ų | 43.6 | 22% | 0.224 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.8 | -22.7 | 179.5 | 74 | 0 | 0 | 0 | 0 | 114.4 | Y95 L96 A97 C137 | Y95-S99 WeakPolarHBondContact O-CB 3.5Å; Y95-S99 PolarHBondContact O-N 3.4Å; Y95-S99 PolarHBondContact O-OG 2.86Å; L96-S99 PolarHBondContact O-N 3.18Å; L96-S99 PolarHBondContact O-OG 2.74Å; A97-S99 VanDerWaalsContact C-N 3.29Å; A97-S99 PolarHBondContact O-N 2.78Å; S99-C137 WeakPolarHBondContact O-CB 3.38Å |
| 100 | Q | 90.2 | Very high | 87.1 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 39% | 0.393 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -98.9 | -34.3 | 177 | -66.7 | -167.5 | -1.7 | 0 | 0 | 113.1 | L63 Q66 L96 A97 A98 | L63-Q100 HydrophobicContact CD1-CB 3.89Å; L63-Q100 HydrophobicContact CD1-CG 4.08Å; L63-Q100 VanDerWaalsContact CG-OE1 3.25Å; Q66-Q100 PolarHBondContact NE2-O 2.95Å; L96-Q100 PolarHBondContact O-N 3.19Å; A97-Q100 PolarHBondContact O-N 3.21Å; A98-Q100 PolarHBondContact O-N 3.22Å |
| 101 | S | 87.9 | Confident | 86.3 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -96.1 | -28.7 | -173 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | I79 A97 A98 | I79-S101 VanDerWaalsContact CD1-OG 3.28Å; I79-S101 WeakPolarHBondContact CD1-OG 3.48Å; A97-S101 WeakPolarHBondContact O-CB 3.36Å; A97-S101 PolarHBondContact O-N 3.46Å; A97-S101 PolarHBondContact O-OG 2.91Å; A98-S101 PolarHBondContact O-N 3.29Å |
| 102 | F | 89.8 | Confident | 85.8 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 5% | 0.053 | 27% | 0.27 | C | S | . | . | trans | -83.3 | 144.4 | -176.2 | -63.6 | -4.5 | 0 | 0 | 0 | 111.3 | V76 I79 V80 M83 A98 T106 L109 F138 | V76-F102 HydrophobicContact CB-CE1 4.2Å; V76-F102 HydrophobicContact CG1-CD1 4.3Å; V76-F102 HydrophobicContact CG1-CE1 3.65Å; V76-F102 HydrophobicContact CG1-CZ 4.16Å; V76-F102 HydrophobicContact CG2-CD1 4.39Å; V76-F102 HydrophobicContact CG2-CE1 4.12Å; I79-F102 HydrophobicContact CB-CE1 4.17Å; I79-F102 HydrophobicContact CB-CZ 4.08Å; I79-F102 HydrophobicContact CD1-CE1 4.29Å; I79-F102 HydrophobicContact CG2-CE1 3.93Å; I79-F102 HydrophobicContact CG2-CZ 3.65Å; V80-F102 HydrophobicContact CG2-CE2 4.08Å; V80-F102 HydrophobicContact CG2-CZ 3.7Å; M83-F102 HydrophobicContact SD-CE2 4.01Å; M83-F102 HydrophobicContact SD-CZ 4.34Å; A98-F102 HydrophobicContact CB-CD2 3.59Å; A98-F102 HydrophobicContact CB-CE1 4.4Å; A98-F102 HydrophobicContact CB-CE2 3.48Å; A98-F102 VanDerWaalsContact CB-CE2 3.48Å; A98-F102 HydrophobicContact CB-CG 4.14Å; A98-F102 HydrophobicContact CB-CZ 3.9Å; A98-F102 VanDerWaalsContact O-CB 3.26Å; A98-F102 WeakPolarHBondContact O-CB 3.17Å; A98-F102 PolarHBondContact O-N 3.01Å; F102-T106 HydrophobicContact CD1-CG2 4.13Å; F102-T106 HydrophobicContact CG-CG2 4.37Å; F102-L109 HydrophobicContact CB-CD1 4.4Å; F102-L109 HydrophobicContact CD2-CD1 3.51Å; F102-L109 HydrophobicContact CE2-CD1 4.14Å; F102-L109 HydrophobicContact CG-CD1 4.28Å; F102-F138 HydrophobicContact CB-CB 3.58Å; F102-F138 HydrophobicContact CB-CD1 4.04Å; F102-F138 HydrophobicContact CB-CG 3.89Å; F102-F138 HydrophobicContact CD2-CD1 4.07Å; F102-F138 HydrophobicContact CD2-CD2 4.45Å; F102-F138 HydrophobicContact CD2-CE1 4.23Å; F102-F138 HydrophobicContact CD2-CG 4.18Å; F102-F138 HydrophobicContact CD2-CZ 4.48Å; F102-F138 HydrophobicContact CG-CD1 4.49Å | ||
| 103 | H | 84.9 | Confident | 85.5 | Confident | 102 Ų | 102 | 44.5 Ų | 44.5 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | trans | -136.7 | 172.8 | 177.5 | 48.6 | 77.5 | 0 | 0 | 0 | 109.6 | G105 T106 | H103-G105 PolarHBondContact O-N 3.45Å; H103-G105 VanDerWaalsContact O-N 3.14Å; H103-T106 PolarHBondContact CE1-OG1 3.43Å; H103-T106 PolarHBondContact N-OG1 3.31Å; H103-T106 PolarHBondContact ND1-OG1 2.94Å; H103-T106 WeakPolarHBondContact O-CB 3.49Å; H103-T106 PolarHBondContact O-N 2.83Å; H103-T106 PolarHBondContact O-OG1 2.89Å; H103-T106 VanDerWaalsContact O-OG1 3.07Å | ||
| 104 | S | 74.4 | Confident | 85.2 | Confident | 90 Ų | 90 | 48.2 Ų | 48.2 | 63% | 0.629 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -34.8 | -174.6 | 50.7 | 0 | 0 | 0 | 0 | 114 | ||
| 105 | G | 75.2 | Confident | 85.2 | Confident | 49 Ų | 49 | 49.2 Ų | 49.2 | 51% | 0.505 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 14.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H103 D107 | H103-G105 PolarHBondContact O-N 3.45Å; H103-G105 VanDerWaalsContact O-N 3.14Å; G105-D107 PolarHBondContact O-N 2.87Å |
| 106 | T | 81.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | trans | -74.6 | 104.3 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | V76 F102 H103 V108 L109 | V76-T106 HydrophobicContact CG1-CG2 3.67Å; V76-T106 HydrophobicContact CG2-CG2 4.47Å; F102-T106 HydrophobicContact CD1-CG2 4.13Å; F102-T106 HydrophobicContact CG-CG2 4.37Å; H103-T106 PolarHBondContact CE1-OG1 3.43Å; H103-T106 PolarHBondContact N-OG1 3.31Å; H103-T106 PolarHBondContact ND1-OG1 2.94Å; H103-T106 WeakPolarHBondContact O-CB 3.49Å; H103-T106 PolarHBondContact O-N 2.83Å; H103-T106 PolarHBondContact O-OG1 2.89Å; H103-T106 VanDerWaalsContact O-OG1 3.07Å; T106-V108 HydrophobicContact CG2-CB 4.42Å; T106-V108 PolarHBondContact O-N 2.93Å; T106-V108 VanDerWaalsContact O-N 3.12Å; T106-L109 WeakPolarHBondContact O-CB 3.39Å; T106-L109 PolarHBondContact O-N 3.34Å | ||
| 107 | D | 71.3 | Confident | 85.1 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.6 | -175.7 | -61.2 | -28.4 | 0 | 0 | 0 | 113.9 | G105 L109 M110 | G105-D107 PolarHBondContact O-N 2.87Å; D107-L109 PolarHBondContact O-N 3.47Å; D107-L109 VanDerWaalsContact O-N 3.14Å; D107-M110 PolarHBondContact O-N 2.88Å |
| 108 | V | 76.2 | Confident | 85.2 | Confident | 14 Ų | 14 | 53.3 Ų | 53.3 | 9% | 0.085 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.1 | -178.3 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | V76 F77 V80 T106 M110 L111 A112 | V76-V108 HydrophobicContact CB-CG2 4.49Å; V76-V108 HydrophobicContact CG1-CB 3.61Å; V76-V108 HydrophobicContact CG1-CG1 4.13Å; V76-V108 HydrophobicContact CG1-CG2 3.53Å; F77-V108 HydrophobicContact CD1-CG1 3.73Å; F77-V108 HydrophobicContact CD1-CG2 4.28Å; F77-V108 HydrophobicContact CD2-CG2 4.16Å; F77-V108 HydrophobicContact CE1-CB 4.4Å; F77-V108 HydrophobicContact CE1-CG1 3.66Å; F77-V108 HydrophobicContact CE1-CG2 3.84Å; F77-V108 HydrophobicContact CE2-CG2 3.68Å; F77-V108 HydrophobicContact CG-CG1 4.36Å; F77-V108 HydrophobicContact CG-CG2 4.44Å; F77-V108 HydrophobicContact CZ-CG1 4.23Å; F77-V108 HydrophobicContact CZ-CG2 3.51Å; V80-V108 HydrophobicContact CG2-CG1 3.84Å; T106-V108 HydrophobicContact CG2-CB 4.42Å; T106-V108 PolarHBondContact O-N 2.93Å; T106-V108 VanDerWaalsContact O-N 3.12Å; V108-M110 VanDerWaalsContact C-N 3.26Å; V108-M110 PolarHBondContact O-N 2.84Å; V108-L111 HydrophobicContact CG1-CD1 4.36Å; V108-L111 WeakPolarHBondContact O-CB 3.25Å; V108-L111 PolarHBondContact O-N 3.31Å; V108-A112 PolarHBondContact O-N 3.05Å |
| 109 | L | 78.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.6 | -34.2 | -178.2 | -155.3 | 75.4 | 0 | 0 | 0 | 112.5 | F102 T106 D107 L111 A112 T113 F138 L143 | F102-L109 HydrophobicContact CB-CD1 4.4Å; F102-L109 HydrophobicContact CD2-CD1 3.51Å; F102-L109 HydrophobicContact CE2-CD1 4.14Å; F102-L109 HydrophobicContact CG-CD1 4.28Å; T106-L109 WeakPolarHBondContact O-CB 3.39Å; T106-L109 PolarHBondContact O-N 3.34Å; D107-L109 PolarHBondContact O-N 3.47Å; D107-L109 VanDerWaalsContact O-N 3.14Å; L109-L111 PolarHBondContact O-N 2.88Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-A112 VanDerWaalsContact O-N 3.07Å; L109-T113 PolarHBondContact O-N 3.45Å; L109-F138 HydrophobicContact CD1-CD2 3.44Å; L109-F138 VanDerWaalsContact CD1-CD2 3.44Å; L109-F138 HydrophobicContact CD1-CE2 3.74Å; L109-F138 HydrophobicContact CD1-CG 4.15Å; L109-F138 HydrophobicContact CD2-CD2 4.15Å; L109-F138 WeakPolarHBondContact CD2-O 3.21Å; L109-F138 HydrophobicContact CG-CD2 4.3Å; L109-L143 HydrophobicContact CD1-CD1 4.26Å; L109-L143 HydrophobicContact CD2-CD1 3.36Å; L109-L143 HydrophobicContact CD2-CG 4.01Å; L109-L143 HydrophobicContact CG-CD1 3.62Å; L109-L143 HydrophobicContact CG-CG 4.26Å |
| 110 | M | 75.6 | Confident | 85.4 | Confident | 126 Ų | 126 | 52 Ų | 52 | 62% | 0.621 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.9 | -34 | 173.7 | -72.2 | -94.6 | -73.6 | 0 | 0 | 112.8 | D107 V108 A112 T113 D142 | D107-M110 PolarHBondContact O-N 2.88Å; V108-M110 VanDerWaalsContact C-N 3.26Å; V108-M110 PolarHBondContact O-N 2.84Å; M110-A112 VanDerWaalsContact C-N 3.33Å; M110-T113 PolarHBondContact O-OG1 3.22Å; M110-D142 HydrophobicContact SD-CB 4.48Å |
| 111 | L | 78.2 | Confident | 85.6 | Confident | 125 Ų | 125 | 52 Ų | 52 | 65% | 0.654 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -77.7 | -23.6 | 178.9 | -57.9 | 175.1 | 0 | 0 | 0 | 111.9 | F77 V108 L109 | F77-L111 HydrophobicContact CE1-CD1 4.08Å; V108-L111 HydrophobicContact CG1-CD1 4.36Å; V108-L111 WeakPolarHBondContact O-CB 3.25Å; V108-L111 PolarHBondContact O-N 3.31Å; L109-L111 PolarHBondContact O-N 2.88Å |
| 112 | A | 85.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -83.9 | -11.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V80 V108 L109 M110 N114 L115 I116 | V80-A112 HydrophobicContact CG1-CB 4.28Å; V80-A112 HydrophobicContact CG2-CB 4.48Å; V108-A112 PolarHBondContact O-N 3.05Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-A112 VanDerWaalsContact O-N 3.07Å; M110-A112 VanDerWaalsContact C-N 3.33Å; A112-N114 VanDerWaalsContact C-N 3.35Å; A112-N114 PolarHBondContact O-N 3.27Å; A112-L115 WeakPolarHBondContact O-CB 3.39Å; A112-L115 PolarHBondContact O-N 3.46Å; A112-I116 HydrophobicContact CB-CD1 4Å; A112-I116 HydrophobicContact CB-CG1 4.44Å; A112-I116 WeakPolarHBondContact O-CB 3.39Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 3.38Å |
| 113 | T | 88.1 | Confident | 85.7 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -53.1 | -47.9 | -175.9 | -51 | 0 | 0 | 0 | 0 | 112.8 | L109 M110 I116 R117 L143 D146 L147 | L109-T113 PolarHBondContact O-N 3.45Å; M110-T113 PolarHBondContact O-OG1 3.22Å; T113-I116 PolarHBondContact O-N 3.19Å; T113-R117 WeakPolarHBondContact O-CB 3.28Å; T113-R117 PolarHBondContact O-N 3.41Å; T113-L143 HydrophobicContact CG2-CD2 3.99Å; T113-L143 VanDerWaalsContact OG1-CD2 3.26Å; T113-L143 WeakPolarHBondContact OG1-CD2 3.44Å; T113-D146 HydrophobicContact CG2-CB 3.85Å; T113-L147 HydrophobicContact CG2-CD2 4.2Å; T113-L147 HydrophobicContact CG2-CG 4.5Å |
| 114 | N | 90.3 | Very high | 86 | Confident | 115 Ų | 115 | 56 Ų | 56 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -70.3 | -33.9 | 179.3 | -74 | -37.1 | 0 | 0 | 0 | 112.9 | A112 R117 K118 | A112-N114 VanDerWaalsContact C-N 3.35Å; A112-N114 PolarHBondContact O-N 3.27Å; N114-R117 PolarHBondContact OD1-NH1 3.43Å; N114-K118 WeakPolarHBondContact O-CB 3.29Å; N114-K118 PolarHBondContact O-N 3.02Å |
| 115 | L | 93 | Very high | 86.8 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -47.9 | 174.5 | 171.8 | 62.7 | 0 | 0 | 0 | 110.4 | V80 M83 A112 K118 D119 | V80-L115 HydrophobicContact CG1-CD2 4.1Å; M83-L115 HydrophobicContact CB-CD2 3.91Å; A112-L115 WeakPolarHBondContact O-CB 3.39Å; A112-L115 PolarHBondContact O-N 3.46Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.12Å; L115-D119 PolarHBondContact O-N 3.17Å |
| 116 | I | 94.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 177.2 | -67.6 | 163.4 | 0 | 0 | 0 | 110 | M83 A112 T113 K118 D119 L120 V135 F138 L143 L147 | M83-I116 HydrophobicContact CE-CG1 4.38Å; A112-I116 HydrophobicContact CB-CD1 4Å; A112-I116 HydrophobicContact CB-CG1 4.44Å; A112-I116 WeakPolarHBondContact O-CB 3.39Å; A112-I116 VanDerWaalsContact O-CG1 3.29Å; A112-I116 WeakPolarHBondContact O-CG1 3.42Å; A112-I116 PolarHBondContact O-N 3.38Å; T113-I116 PolarHBondContact O-N 3.19Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.44Å; I116-D119 PolarHBondContact O-N 3.14Å; I116-D119 VanDerWaalsContact O-N 3.11Å; I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.19Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.06Å; I116-V135 HydrophobicContact CD1-CG2 4.24Å; I116-V135 HydrophobicContact CG1-CG2 4.35Å; I116-V135 HydrophobicContact CG2-CG2 3.4Å; I116-F138 HydrophobicContact CD1-CE2 3.97Å; I116-F138 HydrophobicContact CD1-CZ 4.39Å; I116-L143 HydrophobicContact CD1-CD1 4.43Å; I116-L143 HydrophobicContact CD1-CD2 4.44Å; I116-L147 HydrophobicContact CB-CD1 4.4Å; I116-L147 HydrophobicContact CG2-CD1 3.59Å |
| 117 | R | 94.4 | Very high | 88.3 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 25% | 0.249 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 177 | -176.3 | 175.3 | -64.5 | 116.7 | -2.8 | 112.2 | T113 N114 D119 L120 M121 D146 L147 D150 | T113-R117 WeakPolarHBondContact O-CB 3.28Å; T113-R117 PolarHBondContact O-N 3.41Å; N114-R117 PolarHBondContact OD1-NH1 3.43Å; R117-D119 VanDerWaalsContact C-N 3.31Å; R117-D119 PolarHBondContact O-N 3.37Å; R117-L120 PolarHBondContact O-N 3.4Å; R117-M121 WeakPolarHBondContact O-CG 3.43Å; R117-M121 PolarHBondContact O-N 3.25Å; R117-D146 PolarHBondContact NH2-O 2.95Å; R117-L147 HydrophobicContact CB-CD2 3.94Å; R117-D150 WeakPolarHBondContact CD-OD2 3.26Å; R117-D150 WeakPolarHBondContact CG-OD2 3.26Å; R117-D150 IonicContact CZ-OD2 3.19Å; R117-D150 IonicContact NE-OD2 3.76Å; R117-D150 PolarHBondContact NE-OD2 3.13Å |
| 118 | K | 94.3 | Very high | 89.5 | Confident | 104 Ų | 104 | 49.6 Ų | 49.6 | 45% | 0.452 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 176 | -176.9 | -168.6 | 70.2 | 179.9 | 0 | 111.7 | N114 L115 I116 M121 S122 | N114-K118 WeakPolarHBondContact O-CB 3.29Å; N114-K118 PolarHBondContact O-N 3.02Å; L115-K118 WeakPolarHBondContact O-CB 3.33Å; L115-K118 PolarHBondContact O-N 3.12Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.44Å; K118-M121 PolarHBondContact O-N 3.04Å; K118-S122 PolarHBondContact O-N 3.15Å |
| 119 | D | 95.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.2 | -38.7 | 178.1 | -71.3 | -25.9 | 0 | 0 | 0 | 112 | K91 Y95 L115 I116 R117 M121 S122 A128 A131 | K91-D119 IonicContact NZ-OD1 3.32Å; K91-D119 PolarHBondContact NZ-OD1 3.34Å; K91-D119 IonicContact NZ-OD2 3.29Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.28Å; Y95-D119 WeakPolarHBondContact OH-CB 3.47Å; Y95-D119 PolarHBondContact OH-OD2 2.82Å; L115-D119 PolarHBondContact O-N 3.17Å; I116-D119 PolarHBondContact O-N 3.14Å; I116-D119 VanDerWaalsContact O-N 3.11Å; R117-D119 VanDerWaalsContact C-N 3.31Å; R117-D119 PolarHBondContact O-N 3.37Å; D119-M121 VanDerWaalsContact C-N 3.33Å; D119-M121 PolarHBondContact O-N 3.23Å; D119-S122 VanDerWaalsContact O-CB 3.26Å; D119-S122 WeakPolarHBondContact O-CB 3.34Å; D119-S122 PolarHBondContact O-N 3.16Å; D119-S122 PolarHBondContact O-OG 3.29Å; D119-A128 WeakPolarHBondContact O-CA 3.44Å; D119-A128 PolarHBondContact O-N 3.1Å; D119-A131 HydrophobicContact CB-CB 3.86Å |
| 120 | L | 95.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 174 | -72 | 175.8 | 0 | 0 | 0 | 111.9 | I116 R117 S122 A128 A131 L132 L147 I151 L154 | I116-L120 HydrophobicContact CG2-CD1 3.96Å; I116-L120 HydrophobicContact CG2-CG 4.19Å; I116-L120 VanDerWaalsContact O-CG 3.3Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.06Å; R117-L120 PolarHBondContact O-N 3.4Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 3.16Å; L120-A128 VanDerWaalsContact O-CB 3.32Å; L120-A128 WeakPolarHBondContact O-CB 3.34Å; L120-A131 HydrophobicContact CD2-CB 3.82Å; L120-A131 HydrophobicContact CG-CB 4.18Å; L120-L132 HydrophobicContact CD2-CB 4.46Å; L120-L132 HydrophobicContact CD2-CD2 3.59Å; L120-L132 HydrophobicContact CD2-CG 3.65Å; L120-L147 HydrophobicContact CD1-CD1 4.36Å; L120-L147 HydrophobicContact CD1-CD2 4.27Å; L120-I151 HydrophobicContact CD1-CG1 4.4Å; L120-L154 HydrophobicContact CB-CD1 4.11Å; L120-L154 HydrophobicContact CD2-CD1 4.01Å |
| 121 | M | 93 | Very high | 92.2 | Very high | 84 Ų | 84 | 44.5 Ų | 44.5 | 41% | 0.414 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 11.8 | -179.5 | -61.3 | -60.4 | 99.9 | 0 | 0 | 113.7 | R117 K118 D119 D150 L154 | R117-M121 WeakPolarHBondContact O-CG 3.43Å; R117-M121 PolarHBondContact O-N 3.25Å; K118-M121 PolarHBondContact O-N 3.04Å; D119-M121 VanDerWaalsContact C-N 3.33Å; D119-M121 PolarHBondContact O-N 3.23Å; M121-D150 HydrophobicContact CE-CB 3.86Å; M121-L154 HydrophobicContact CE-CD1 3.75Å; M121-L154 HydrophobicContact CE-CD2 4.04Å; M121-L154 HydrophobicContact CE-CG 3.7Å |
| 122 | S | 92.3 | Very high | 93.1 | Very high | 31 Ų | 31 | 38.6 Ų | 38.6 | 22% | 0.217 | 20% | 0.199 | C | C | . | . | trans | -67.1 | 148.5 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 112.3 | K118 D119 L120 N124 D127 A128 | K118-S122 PolarHBondContact O-N 3.15Å; D119-S122 VanDerWaalsContact O-CB 3.26Å; D119-S122 WeakPolarHBondContact O-CB 3.34Å; D119-S122 PolarHBondContact O-N 3.16Å; D119-S122 PolarHBondContact O-OG 3.29Å; L120-S122 VanDerWaalsContact C-N 3.3Å; L120-S122 PolarHBondContact O-N 3.16Å; S122-N124 PolarHBondContact O-N 3.09Å; S122-N124 PolarHBondContact OG-O 3.39Å; S122-N124 VanDerWaalsContact OG-O 3.09Å; S122-D127 WeakPolarHBondContact OG-CB 3.5Å; S122-A128 PolarHBondContact OG-N 3.44Å | ||
| 123 | C | 88.4 | Confident | 93.5 | Very high | 127 Ų | 127 | 40.5 Ų | 40.5 | 86% | 0.858 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -67.6 | -27 | 174.5 | 58 | 0 | 0 | 0 | 0 | 112.3 | L125 | C123-L125 PolarHBondContact O-N 3.18Š|
| 124 | N | 90.6 | Very high | 93.7 | Very high | 54 Ų | 54 | 40.1 Ų | 40.1 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -78.5 | 118 | 176.8 | -178.5 | 8.5 | 0 | 0 | 0 | 110.7 | S122 Y126 D127 A128 | S122-N124 PolarHBondContact O-N 3.09Å; S122-N124 PolarHBondContact OG-O 3.39Å; S122-N124 VanDerWaalsContact OG-O 3.09Å; N124-Y126 PolarHBondContact O-N 2.87Å; N124-Y126 WeakPolarHBondContact OD1-CD2 3.47Å; N124-Y126 PolarHBondContact OD1-N 3.46Å; N124-Y126 VanDerWaalsContact OD1-N 3.14Å; N124-D127 HydrophobicContact CB-CB 4.18Å; N124-D127 VanDerWaalsContact CB-OD2 3.29Å; N124-D127 WeakPolarHBondContact CB-OD2 3.47Å; N124-D127 PolarHBondContact ND2-OD2 3.18Å; N124-D127 PolarHBondContact O-N 2.87Å; N124-A128 PolarHBondContact O-N 3.23Å |
| 125 | L | 92.6 | Very high | 93.8 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 24% | 0.236 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -29.3 | -178.7 | 69.8 | 99.8 | 0 | 0 | 0 | 113.3 | C123 G129 K159 Y161 L162 | C123-L125 PolarHBondContact O-N 3.18Å; L125-G129 PolarHBondContact O-N 3.41Å; L125-K159 HydrophobicContact CB-CD 3.89Å; L125-K159 HydrophobicContact CD2-CD 4.39Å; L125-Y161 HydrophobicContact CD1-CD1 3.87Å; L125-Y161 HydrophobicContact CD1-CE1 3.99Å; L125-L162 WeakPolarHBondContact O-CD2 3.43Å |
| 126 | Y | 93.8 | Very high | 93.8 | Very high | 98 Ų | 98 | 34.9 Ų | 34.9 | 38% | 0.384 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -76.3 | -34.9 | -178.1 | -61.2 | -72.6 | 0 | 0 | 0 | 112 | N124 G129 I130 | N124-Y126 PolarHBondContact O-N 2.87Å; N124-Y126 WeakPolarHBondContact OD1-CD2 3.47Å; N124-Y126 PolarHBondContact OD1-N 3.46Å; N124-Y126 VanDerWaalsContact OD1-N 3.14Å; Y126-G129 PolarHBondContact O-N 2.92Å; Y126-I130 WeakPolarHBondContact O-CG2 3.48Å; Y126-I130 PolarHBondContact O-N 3.47Å |
| 127 | D | 94.5 | Very high | 93.7 | Very high | 17 Ų | 17 | 38.6 Ų | 38.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.3 | -49.1 | 175.5 | -73.5 | -38.9 | 0 | 0 | 0 | 110.8 | K91 S122 N124 G129 I130 A131 | K91-D127 VanDerWaalsContact CD-OD1 3.32Å; K91-D127 WeakPolarHBondContact CD-OD1 3.34Å; K91-D127 IonicContact NZ-OD1 3.3Å; K91-D127 PolarHBondContact NZ-OD1 3.24Å; S122-D127 WeakPolarHBondContact OG-CB 3.5Å; N124-D127 HydrophobicContact CB-CB 4.18Å; N124-D127 VanDerWaalsContact CB-OD2 3.29Å; N124-D127 WeakPolarHBondContact CB-OD2 3.47Å; N124-D127 PolarHBondContact ND2-OD2 3.18Å; N124-D127 PolarHBondContact O-N 2.87Å; D127-G129 VanDerWaalsContact C-N 3.31Å; D127-G129 PolarHBondContact O-N 2.82Å; D127-I130 VanDerWaalsContact O-CG2 3.27Å; D127-I130 WeakPolarHBondContact O-CG2 3.13Å; D127-I130 PolarHBondContact O-N 3.23Å; D127-A131 WeakPolarHBondContact O-CB 3.36Å; D127-A131 PolarHBondContact O-N 3.26Å; D127-A131 VanDerWaalsContact O-N 3.08Å |
| 128 | A | 95.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.3 | -40.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | D119 L120 S122 N124 A131 L132 L162 | D119-A128 WeakPolarHBondContact O-CA 3.44Å; D119-A128 PolarHBondContact O-N 3.1Å; L120-A128 VanDerWaalsContact O-CB 3.32Å; L120-A128 WeakPolarHBondContact O-CB 3.34Å; S122-A128 PolarHBondContact OG-N 3.44Å; N124-A128 PolarHBondContact O-N 3.23Å; A128-A131 PolarHBondContact O-N 3.25Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.28Å; A128-L132 PolarHBondContact O-N 2.84Å; A128-L162 HydrophobicContact CB-CD1 4.41Å; A128-L162 HydrophobicContact CB-CD2 3.83Å |
| 129 | G | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L125 Y126 D127 S133 K165 | L125-G129 PolarHBondContact O-N 3.41Å; Y126-G129 PolarHBondContact O-N 2.92Å; D127-G129 VanDerWaalsContact C-N 3.31Å; D127-G129 PolarHBondContact O-N 2.82Å; G129-S133 PolarHBondContact O-N 3.34Å; G129-S133 PolarHBondContact O-OG 3.24Å; G129-K165 WeakPolarHBondContact O-CD 3.24Å |
| 130 | I | 95.3 | Very high | 93.2 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 17% | 0.169 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.5 | -39.4 | 176.8 | -166.8 | 65 | 0 | 0 | 0 | 110.5 | F88 K91 R92 Y95 Y126 D127 S133 G134 | F88-I130 HydrophobicContact CE2-CB 4.3Å; F88-I130 HydrophobicContact CE2-CG2 4.08Å; K91-I130 HydrophobicContact CD-CG2 4.39Å; K91-I130 HydrophobicContact CG-CG2 4.49Å; R92-I130 HydrophobicContact CG-CD1 4.38Å; Y95-I130 HydrophobicContact CD2-CG1 4.21Å; Y95-I130 HydrophobicContact CD2-CG2 3.94Å; Y95-I130 HydrophobicContact CE2-CG2 4.27Å; Y95-I130 HydrophobicContact CG-CG1 4.03Å; Y95-I130 HydrophobicContact CG-CG2 4.45Å; Y126-I130 WeakPolarHBondContact O-CG2 3.48Å; Y126-I130 PolarHBondContact O-N 3.47Å; D127-I130 VanDerWaalsContact O-CG2 3.27Å; D127-I130 WeakPolarHBondContact O-CG2 3.13Å; D127-I130 PolarHBondContact O-N 3.23Å; I130-S133 PolarHBondContact O-N 3.23Å; I130-G134 PolarHBondContact O-N 3.48Å |
| 131 | A | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y95 D119 L120 D127 A128 S133 G134 V135 | Y95-A131 HydrophobicContact CE1-CB 4.03Å; D119-A131 HydrophobicContact CB-CB 3.86Å; L120-A131 HydrophobicContact CD2-CB 3.82Å; L120-A131 HydrophobicContact CG-CB 4.18Å; D127-A131 WeakPolarHBondContact O-CB 3.36Å; D127-A131 PolarHBondContact O-N 3.26Å; D127-A131 VanDerWaalsContact O-N 3.08Å; A128-A131 PolarHBondContact O-N 3.25Å; A131-S133 PolarHBondContact O-N 3.48Å; A131-G134 PolarHBondContact O-N 3.01Å; A131-V135 WeakPolarHBondContact O-CB 3.38Å; A131-V135 WeakPolarHBondContact O-CG2 3.35Å; A131-V135 PolarHBondContact O-N 2.89Å |
| 132 | L | 96.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.1 | -37.6 | 175.8 | -75.7 | 171.7 | 0 | 0 | 0 | 112.8 | L120 A128 I151 L154 L162 K165 A166 L169 | L120-L132 HydrophobicContact CD2-CB 4.46Å; L120-L132 HydrophobicContact CD2-CD2 3.59Å; L120-L132 HydrophobicContact CD2-CG 3.65Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.28Å; A128-L132 PolarHBondContact O-N 2.84Å; L132-I151 HydrophobicContact CD2-CG1 4.36Å; L132-I151 HydrophobicContact CD2-CG2 4.47Å; L132-L154 HydrophobicContact CD1-CD1 4.13Å; L132-L154 HydrophobicContact CD2-CD1 3.94Å; L132-L154 HydrophobicContact CG-CD1 4.19Å; L132-L162 HydrophobicContact CD1-CD2 4.28Å; L132-K165 HydrophobicContact CB-CB 3.99Å; L132-K165 HydrophobicContact CD1-CB 3.73Å; L132-K165 HydrophobicContact CG-CB 4.5Å; L132-A166 HydrophobicContact CD1-CB 4.35Å; L132-A166 HydrophobicContact CD2-CB 4.37Å; L132-L169 HydrophobicContact CD2-CD2 3.57Å |
| 133 | S | 94 | Very high | 92.9 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 27% | 0.273 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -78 | -41.9 | -178.2 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | G129 I130 A131 A136 K165 | G129-S133 PolarHBondContact O-N 3.34Å; G129-S133 PolarHBondContact O-OG 3.24Å; I130-S133 PolarHBondContact O-N 3.23Å; A131-S133 PolarHBondContact O-N 3.48Å; S133-A136 WeakPolarHBondContact O-CB 3.34Å; S133-K165 WeakPolarHBondContact OG-CE 3.11Å; S133-K165 PolarHBondContact OG-NZ 2.95Å |
| 134 | G | 92.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 27.5 Ų | 27.5 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.4 | -46.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I130 A131 A136 C137 F138 | I130-G134 PolarHBondContact O-N 3.48Å; A131-G134 PolarHBondContact O-N 3.01Å; G134-A136 PolarHBondContact O-N 3.2Å; G134-C137 WeakPolarHBondContact O-CB 3.49Å; G134-C137 PolarHBondContact O-N 2.91Å; G134-F138 VanDerWaalsContact C-CE1 3.45Å; G134-F138 VanDerWaalsContact O-CD1 3.26Å; G134-F138 WeakPolarHBondContact O-CD1 3.23Å; G134-F138 WeakPolarHBondContact O-CE1 3.46Å |
| 135 | V | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -33.6 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.6 | I116 A131 C137 F138 I139 L169 | I116-V135 HydrophobicContact CD1-CG2 4.24Å; I116-V135 HydrophobicContact CG1-CG2 4.35Å; I116-V135 HydrophobicContact CG2-CG2 3.4Å; A131-V135 WeakPolarHBondContact O-CB 3.38Å; A131-V135 WeakPolarHBondContact O-CG2 3.35Å; A131-V135 PolarHBondContact O-N 2.89Å; V135-C137 PolarHBondContact O-N 2.99Å; V135-F138 HydrophobicContact CB-CE2 4.38Å; V135-F138 HydrophobicContact CG2-CE2 4.07Å; V135-F138 HydrophobicContact CG2-CZ 4.08Å; V135-F138 PolarHBondContact O-N 3.41Å; V135-I139 HydrophobicContact CG1-CB 4.05Å; V135-I139 HydrophobicContact CG1-CD1 4.19Å; V135-I139 HydrophobicContact CG1-CG1 4.32Å; V135-I139 VanDerWaalsContact O-CB 3.28Å; V135-I139 WeakPolarHBondContact O-CB 3.26Å; V135-I139 PolarHBondContact O-N 2.94Å; V135-L169 HydrophobicContact CB-CD2 4.48Å; V135-L169 HydrophobicContact CG1-CD1 4.22Å; V135-L169 HydrophobicContact CG1-CD2 4.35Å |
| 136 | A | 92.5 | Very high | 93.2 | Very high | 26 Ų | 26 | 28.9 Ų | 28.9 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.4 | -21.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | S133 G134 L169 | S133-A136 WeakPolarHBondContact O-CB 3.34Å; G134-A136 PolarHBondContact O-N 3.2Å; A136-L169 VanDerWaalsContact CA-CD1 3.46Å; A136-L169 HydrophobicContact CB-CD1 3.69Å |
| 137 | C | 92.1 | Very high | 93.2 | Very high | 79 Ų | 79 | 24.2 Ų | 24.2 | 53% | 0.534 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -87.3 | -31.8 | -179.4 | -64.9 | 0 | 0 | 0 | 0 | 113.6 | S99 G134 V135 | S99-C137 WeakPolarHBondContact O-CB 3.38Å; G134-C137 WeakPolarHBondContact O-CB 3.49Å; G134-C137 PolarHBondContact O-N 2.91Å; V135-C137 PolarHBondContact O-N 2.99Å |
| 138 | F | 91.5 | Very high | 93.2 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.022 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -126.4 | 7.8 | -171.9 | 56.6 | -110 | 0 | 0 | 0 | 114.6 | A98 F102 L109 I116 G134 V135 N140 L143 | A98-F138 HydrophobicContact CB-CD1 4.26Å; A98-F138 HydrophobicContact CB-CE1 3.72Å; A98-F138 HydrophobicContact CB-CZ 4.46Å; F102-F138 HydrophobicContact CB-CB 3.58Å; F102-F138 HydrophobicContact CB-CD1 4.04Å; F102-F138 HydrophobicContact CB-CG 3.89Å; F102-F138 HydrophobicContact CD2-CD1 4.07Å; F102-F138 HydrophobicContact CD2-CD2 4.45Å; F102-F138 HydrophobicContact CD2-CE1 4.23Å; F102-F138 HydrophobicContact CD2-CG 4.18Å; F102-F138 HydrophobicContact CD2-CZ 4.48Å; F102-F138 HydrophobicContact CG-CD1 4.49Å; L109-F138 HydrophobicContact CD1-CD2 3.44Å; L109-F138 VanDerWaalsContact CD1-CD2 3.44Å; L109-F138 HydrophobicContact CD1-CE2 3.74Å; L109-F138 HydrophobicContact CD1-CG 4.15Å; L109-F138 HydrophobicContact CD2-CD2 4.15Å; L109-F138 WeakPolarHBondContact CD2-O 3.21Å; L109-F138 HydrophobicContact CG-CD2 4.3Å; I116-F138 HydrophobicContact CD1-CE2 3.97Å; I116-F138 HydrophobicContact CD1-CZ 4.39Å; G134-F138 VanDerWaalsContact C-CE1 3.45Å; G134-F138 VanDerWaalsContact O-CD1 3.26Å; G134-F138 WeakPolarHBondContact O-CD1 3.23Å; G134-F138 WeakPolarHBondContact O-CE1 3.46Å; V135-F138 HydrophobicContact CB-CE2 4.38Å; V135-F138 HydrophobicContact CG2-CE2 4.07Å; V135-F138 HydrophobicContact CG2-CZ 4.08Å; V135-F138 PolarHBondContact O-N 3.41Å; F138-N140 PolarHBondContact O-N 3.12Å; F138-L143 HydrophobicContact CD2-CD1 4.16Å; F138-L143 HydrophobicContact CE2-CD1 4.22Å |
| 139 | I | 92.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | trans | -56.7 | 130.3 | 177.6 | -169.6 | 168.4 | 0 | 0 | 0 | 111.8 | V135 L143 A144 L169 K172 V173 N176 | V135-I139 HydrophobicContact CG1-CB 4.05Å; V135-I139 HydrophobicContact CG1-CD1 4.19Å; V135-I139 HydrophobicContact CG1-CG1 4.32Å; V135-I139 VanDerWaalsContact O-CB 3.28Å; V135-I139 WeakPolarHBondContact O-CB 3.26Å; V135-I139 PolarHBondContact O-N 2.94Å; I139-L143 HydrophobicContact CG1-CB 4.13Å; I139-A144 HydrophobicContact CD1-CB 3.94Å; I139-A144 HydrophobicContact CG1-CB 4.07Å; I139-L169 HydrophobicContact CD1-CD1 4.37Å; I139-K172 HydrophobicContact CG2-CB 3.8Å; I139-V173 HydrophobicContact CD1-CB 4.44Å; I139-V173 HydrophobicContact CD1-CG2 3.58Å; I139-N176 PolarHBondContact O-ND2 3.13Å | ||
| 140 | N | 90.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.064 | 18% | 0.181 | C | C | . | . | trans | -116.2 | 175.2 | 175.1 | 70.4 | -2.8 | 0 | 0 | 0 | 109.7 | F138 D142 L143 A144 | F138-N140 PolarHBondContact O-N 3.12Å; N140-D142 VanDerWaalsContact C-N 3.33Å; N140-D142 PolarHBondContact O-N 3.24Å; N140-D142 PolarHBondContact OD1-N 2.78Å; N140-L143 PolarHBondContact O-N 3.26Å; N140-L143 VanDerWaalsContact OD1-CB 3.25Å; N140-L143 WeakPolarHBondContact OD1-CB 3.38Å; N140-L143 VanDerWaalsContact OD1-CG 3.31Å; N140-L143 WeakPolarHBondContact OD1-CG 3.42Å; N140-L143 PolarHBondContact OD1-N 3.35Å; N140-A144 VanDerWaalsContact O-CB 3.3Å; N140-A144 WeakPolarHBondContact O-CB 3.45Å; N140-A144 PolarHBondContact O-N 3.05Å | ||
| 141 | P | 91.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 43% | 0.429 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -54.9 | -43.3 | -179.9 | -29.2 | 37.6 | 0 | 0 | 0 | 113.9 | A144 T145 N176 | P141-A144 WeakPolarHBondContact O-CB 3.23Å; P141-A144 PolarHBondContact O-N 2.93Å; P141-T145 WeakPolarHBondContact O-CG2 3.11Å; P141-T145 PolarHBondContact O-N 3.44Å; P141-T145 PolarHBondContact O-OG1 3.45Å; P141-N176 HydrophobicContact CG-CB 4.47Å |
| 142 | D | 90.3 | Very high | 93 | Very high | 85 Ų | 85 | 29.8 Ų | 29.8 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.8 | -45.4 | -178.2 | -55.2 | -40.9 | 0 | 0 | 0 | 112.2 | M110 N140 A144 T145 D146 | M110-D142 HydrophobicContact SD-CB 4.48Å; N140-D142 VanDerWaalsContact C-N 3.33Å; N140-D142 PolarHBondContact O-N 3.24Å; N140-D142 PolarHBondContact OD1-N 2.78Å; D142-A144 VanDerWaalsContact C-N 3.28Å; D142-A144 PolarHBondContact O-N 3.36Å; D142-T145 WeakPolarHBondContact CA-OG1 3.44Å; D142-T145 PolarHBondContact O-N 3.15Å; D142-T145 PolarHBondContact O-OG1 3.36Å; D142-D146 VanDerWaalsContact O-CB 3.31Å; D142-D146 WeakPolarHBondContact O-CB 3.24Å; D142-D146 PolarHBondContact O-N 2.99Å |
| 143 | L | 91 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 173 | -76.3 | -172.9 | 0 | 0 | 0 | 111.8 | L109 T113 I116 F138 I139 N140 D146 L147 | L109-L143 HydrophobicContact CD1-CD1 4.26Å; L109-L143 HydrophobicContact CD2-CD1 3.36Å; L109-L143 HydrophobicContact CD2-CG 4.01Å; L109-L143 HydrophobicContact CG-CD1 3.62Å; L109-L143 HydrophobicContact CG-CG 4.26Å; T113-L143 HydrophobicContact CG2-CD2 3.99Å; T113-L143 VanDerWaalsContact OG1-CD2 3.26Å; T113-L143 WeakPolarHBondContact OG1-CD2 3.44Å; I116-L143 HydrophobicContact CD1-CD1 4.43Å; I116-L143 HydrophobicContact CD1-CD2 4.44Å; F138-L143 HydrophobicContact CD2-CD1 4.16Å; F138-L143 HydrophobicContact CE2-CD1 4.22Å; I139-L143 HydrophobicContact CG1-CB 4.13Å; N140-L143 PolarHBondContact O-N 3.26Å; N140-L143 VanDerWaalsContact OD1-CB 3.25Å; N140-L143 WeakPolarHBondContact OD1-CB 3.38Å; N140-L143 VanDerWaalsContact OD1-CG 3.31Å; N140-L143 WeakPolarHBondContact OD1-CG 3.42Å; N140-L143 PolarHBondContact OD1-N 3.35Å; L143-D146 PolarHBondContact O-N 3.31Å; L143-L147 HydrophobicContact CB-CD1 4.4Å; L143-L147 HydrophobicContact CD2-CD1 4.13Å; L143-L147 VanDerWaalsContact O-CB 3.23Å; L143-L147 WeakPolarHBondContact O-CB 3.38Å; L143-L147 WeakPolarHBondContact O-CG 3.12Å; L143-L147 PolarHBondContact O-N 3.33Å |
| 144 | A | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | I139 N140 P141 D142 D146 Y148 V173 N176 | I139-A144 HydrophobicContact CD1-CB 3.94Å; I139-A144 HydrophobicContact CG1-CB 4.07Å; N140-A144 VanDerWaalsContact O-CB 3.3Å; N140-A144 WeakPolarHBondContact O-CB 3.45Å; N140-A144 PolarHBondContact O-N 3.05Å; P141-A144 WeakPolarHBondContact O-CB 3.23Å; P141-A144 PolarHBondContact O-N 2.93Å; D142-A144 VanDerWaalsContact C-N 3.28Å; D142-A144 PolarHBondContact O-N 3.36Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 3.48Å; A144-Y148 VanDerWaalsContact O-CB 3.31Å; A144-Y148 WeakPolarHBondContact O-CB 3.26Å; A144-Y148 PolarHBondContact O-N 2.85Å; A144-Y148 VanDerWaalsContact O-N 3.13Å; A144-V173 HydrophobicContact CB-CG1 4.2Å; A144-N176 HydrophobicContact CB-CB 4.02Å |
| 145 | T | 93.5 | Very high | 93 | Very high | 51 Ų | 51 | 31.9 Ų | 31.9 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -35.2 | 176 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | P141 D142 Y148 Y177 | P141-T145 WeakPolarHBondContact O-CG2 3.11Å; P141-T145 PolarHBondContact O-N 3.44Å; P141-T145 PolarHBondContact O-OG1 3.45Å; D142-T145 WeakPolarHBondContact CA-OG1 3.44Å; D142-T145 PolarHBondContact O-N 3.15Å; D142-T145 PolarHBondContact O-OG1 3.36Å; T145-Y148 WeakPolarHBondContact O-CD1 3.23Å; T145-Y148 WeakPolarHBondContact O-CE1 3.48Å; T145-Y177 HydrophobicContact CG2-CD1 3.96Å; T145-Y177 HydrophobicContact CG2-CD2 3.55Å; T145-Y177 HydrophobicContact CG2-CE1 4.13Å; T145-Y177 HydrophobicContact CG2-CE2 3.72Å; T145-Y177 HydrophobicContact CG2-CG 3.7Å |
| 146 | D | 92.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 41% | 0.406 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83 | -28.7 | -175.5 | -79.5 | -2 | 0 | 0 | 0 | 114.1 | T113 R117 D142 L143 A144 | T113-D146 HydrophobicContact CG2-CB 3.85Å; R117-D146 PolarHBondContact NH2-O 2.95Å; D142-D146 VanDerWaalsContact O-CB 3.31Å; D142-D146 WeakPolarHBondContact O-CB 3.24Å; D142-D146 PolarHBondContact O-N 2.99Å; L143-D146 PolarHBondContact O-N 3.31Å; A144-D146 VanDerWaalsContact C-N 3.31Å; A144-D146 PolarHBondContact O-N 3.48Å |
| 147 | L | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -110.4 | -10.2 | -171.8 | -58.5 | 176.5 | 0 | 0 | 0 | 113.9 | T113 I116 R117 L120 L143 S149 D150 I151 | T113-L147 HydrophobicContact CG2-CD2 4.2Å; T113-L147 HydrophobicContact CG2-CG 4.5Å; I116-L147 HydrophobicContact CB-CD1 4.4Å; I116-L147 HydrophobicContact CG2-CD1 3.59Å; R117-L147 HydrophobicContact CB-CD2 3.94Å; L120-L147 HydrophobicContact CD1-CD1 4.36Å; L120-L147 HydrophobicContact CD1-CD2 4.27Å; L143-L147 HydrophobicContact CB-CD1 4.4Å; L143-L147 HydrophobicContact CD2-CD1 4.13Å; L143-L147 VanDerWaalsContact O-CB 3.23Å; L143-L147 WeakPolarHBondContact O-CB 3.38Å; L143-L147 WeakPolarHBondContact O-CG 3.12Å; L143-L147 PolarHBondContact O-N 3.33Å; L147-S149 PolarHBondContact O-N 2.96Å; L147-D150 WeakPolarHBondContact O-CB 3.33Å; L147-D150 PolarHBondContact O-N 3.42Å; L147-I151 HydrophobicContact CB-CD1 4.05Å; L147-I151 WeakPolarHBondContact O-CD1 3.48Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 3.02Å |
| 148 | Y | 94.7 | Very high | 93 | Very high | 55 Ų | 55 | 37.5 Ų | 37.5 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.4 | -36 | -174.7 | 80.5 | -83.9 | 0 | 0 | 0 | 112.7 | A144 T145 I151 L152 Y177 A180 I183 | A144-Y148 VanDerWaalsContact O-CB 3.31Å; A144-Y148 WeakPolarHBondContact O-CB 3.26Å; A144-Y148 PolarHBondContact O-N 2.85Å; A144-Y148 VanDerWaalsContact O-N 3.13Å; T145-Y148 WeakPolarHBondContact O-CD1 3.23Å; T145-Y148 WeakPolarHBondContact O-CE1 3.48Å; Y148-I151 PolarHBondContact O-N 3.19Å; Y148-L152 VanDerWaalsContact O-CB 3.23Å; Y148-L152 WeakPolarHBondContact O-CB 3.42Å; Y148-L152 PolarHBondContact O-N 2.94Å; Y148-Y177 HydrophobicContact CD1-CD1 4.41Å; Y148-Y177 HydrophobicContact CD1-CE1 4.2Å; Y148-Y177 HydrophobicContact CE1-CE1 4.2Å; Y148-A180 HydrophobicContact CD2-CB 4.18Å; Y148-A180 HydrophobicContact CG-CB 4.22Å; Y148-I183 HydrophobicContact CE2-CD1 4.26Å; Y148-I183 HydrophobicContact CE2-CG2 4.47Å |
| 149 | S | 93.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 112 | L147 L152 S153 | L147-S149 PolarHBondContact O-N 2.96Å; S149-L152 WeakPolarHBondContact O-CB 3.39Å; S149-L152 PolarHBondContact O-N 2.82Å; S149-S153 PolarHBondContact O-N 3.05Å |
| 150 | D | 94.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.3 | -44.7 | 174.9 | -64.3 | -52 | 0 | 0 | 0 | 110.8 | R117 M121 L147 L152 S153 L154 | R117-D150 WeakPolarHBondContact CD-OD2 3.26Å; R117-D150 WeakPolarHBondContact CG-OD2 3.26Å; R117-D150 IonicContact CZ-OD2 3.19Å; R117-D150 IonicContact NE-OD2 3.76Å; R117-D150 PolarHBondContact NE-OD2 3.13Å; M121-D150 HydrophobicContact CE-CB 3.86Å; L147-D150 WeakPolarHBondContact O-CB 3.33Å; L147-D150 PolarHBondContact O-N 3.42Å; D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 3.17Å; D150-S153 WeakPolarHBondContact O-CB 3.31Å; D150-S153 PolarHBondContact O-N 3.21Å; D150-L154 PolarHBondContact O-N 3.22Å |
| 151 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.8 | -63.4 | 161.7 | 0 | 0 | 0 | 110.7 | L120 L132 L147 Y148 S153 L154 M155 A166 L169 L170 V173 | L120-I151 HydrophobicContact CD1-CG1 4.4Å; L132-I151 HydrophobicContact CD2-CG1 4.36Å; L132-I151 HydrophobicContact CD2-CG2 4.47Å; L147-I151 HydrophobicContact CB-CD1 4.05Å; L147-I151 WeakPolarHBondContact O-CD1 3.48Å; L147-I151 VanDerWaalsContact O-CG1 3.24Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 3.02Å; Y148-I151 PolarHBondContact O-N 3.19Å; I151-S153 VanDerWaalsContact C-N 3.35Å; I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 2.66Å; I151-M155 PolarHBondContact O-N 3.25Å; I151-A166 HydrophobicContact CG2-CB 4.22Å; I151-L169 HydrophobicContact CD1-CD2 3.48Å; I151-L169 VanDerWaalsContact CD1-CD2 3.48Å; I151-L169 HydrophobicContact CD1-CG 4.01Å; I151-L169 HydrophobicContact CG1-CD2 3.82Å; I151-L169 HydrophobicContact CG2-CD2 4.26Å; I151-L169 HydrophobicContact CG2-CG 4.49Å; I151-L170 HydrophobicContact CG2-CD2 3.94Å; I151-L170 HydrophobicContact CG2-CG 3.99Å; I151-V173 HydrophobicContact CD1-CG2 3.81Å |
| 152 | L | 93.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -39.5 | 177.5 | -168.5 | 61.5 | 0 | 0 | 0 | 111.8 | Y148 S149 D150 L154 M155 C184 Q187 | Y148-L152 VanDerWaalsContact O-CB 3.23Å; Y148-L152 WeakPolarHBondContact O-CB 3.42Å; Y148-L152 PolarHBondContact O-N 2.94Å; S149-L152 WeakPolarHBondContact O-CB 3.39Å; S149-L152 PolarHBondContact O-N 2.82Å; D150-L152 VanDerWaalsContact C-N 3.31Å; D150-L152 PolarHBondContact O-N 3.17Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.3Å; L152-M155 HydrophobicContact CD1-SD 3.8Å; L152-M155 WeakPolarHBondContact O-CB 3.09Å; L152-M155 PolarHBondContact O-N 3.29Å; L152-C184 HydrophobicContact CD1-CB 3.82Å; L152-Q187 HydrophobicContact CD1-CB 4.38Å; L152-Q187 VanDerWaalsContact CD2-OE1 3.26Å |
| 153 | S | 93.6 | Very high | 94.1 | Very high | 72 Ų | 72 | 40.7 Ų | 40.7 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 171.7 | -177.1 | 0 | 0 | 0 | 0 | 111.7 | S149 D150 I151 M155 N156 | S149-S153 PolarHBondContact O-N 3.05Å; D150-S153 WeakPolarHBondContact O-CB 3.31Å; D150-S153 PolarHBondContact O-N 3.21Å; I151-S153 VanDerWaalsContact C-N 3.35Å; S153-M155 VanDerWaalsContact C-N 3.26Å; S153-M155 PolarHBondContact O-N 2.92Å; S153-N156 PolarHBondContact O-N 3.43Å |
| 154 | L | 95.2 | Very high | 94.4 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66 | -23.3 | 179.6 | -69.2 | 169.8 | 0 | 0 | 0 | 113.9 | L120 M121 L132 D150 I151 L152 N156 S157 L162 A166 | L120-L154 HydrophobicContact CB-CD1 4.11Å; L120-L154 HydrophobicContact CD2-CD1 4.01Å; M121-L154 HydrophobicContact CE-CD1 3.75Å; M121-L154 HydrophobicContact CE-CD2 4.04Å; M121-L154 HydrophobicContact CE-CG 3.7Å; L132-L154 HydrophobicContact CD1-CD1 4.13Å; L132-L154 HydrophobicContact CD2-CD1 3.94Å; L132-L154 HydrophobicContact CG-CD1 4.19Å; D150-L154 PolarHBondContact O-N 3.22Å; I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 2.66Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 3.3Å; L154-N156 PolarHBondContact O-N 3.07Å; L154-S157 WeakPolarHBondContact O-CB 3.49Å; L154-S157 PolarHBondContact O-N 3.01Å; L154-S157 VanDerWaalsContact O-N 3.15Å; L154-L162 HydrophobicContact CD2-CD1 4.37Å; L154-A166 HydrophobicContact CB-CB 3.96Å |
| 155 | M | 93.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23 | 170.5 | -72.1 | -176.4 | 57 | 0 | 0 | 113.6 | I151 L152 S153 R163 A166 V167 L170 Q187 L188 K191 | I151-M155 PolarHBondContact O-N 3.25Å; L152-M155 HydrophobicContact CD1-SD 3.8Å; L152-M155 WeakPolarHBondContact O-CB 3.09Å; L152-M155 PolarHBondContact O-N 3.29Å; S153-M155 VanDerWaalsContact C-N 3.26Å; S153-M155 PolarHBondContact O-N 2.92Å; M155-R163 WeakPolarHBondContact O-CD 3.49Å; M155-R163 WeakPolarHBondContact O-CG 3.32Å; M155-A166 HydrophobicContact CG-CB 3.88Å; M155-V167 HydrophobicContact CE-CG2 3.96Å; M155-V167 HydrophobicContact CG-CG2 4.2Å; M155-V167 HydrophobicContact SD-CG2 4.45Å; M155-L170 HydrophobicContact CE-CD1 4.35Å; M155-L170 HydrophobicContact CG-CD1 4.24Å; M155-L170 HydrophobicContact SD-CD1 3.11Å; M155-L170 WeakPolarHBondContact SD-CD1 3.45Å; M155-L170 HydrophobicContact SD-CG 4.27Å; M155-Q187 HydrophobicContact CE-CB 4.18Å; M155-L188 HydrophobicContact CE-CB 4.49Å; M155-K191 HydrophobicContact CE-CD 4.33Å; M155-K191 HydrophobicContact CE-CG 3.57Å; M155-K191 WeakPolarHBondContact O-CE 3.45Å; M155-K191 PolarHBondContact O-NZ 2.88Å |
| 156 | N | 91.9 | Very high | 94.8 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 44% | 0.444 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 10.1 | 177.6 | -60.8 | -42.1 | 0 | 0 | 0 | 112.3 | S153 L154 Q187 K191 | S153-N156 PolarHBondContact O-N 3.43Å; L154-N156 PolarHBondContact O-N 3.07Å; N156-Q187 PolarHBondContact ND2-NE2 3.32Å; N156-K191 PolarHBondContact OD1-NZ 3.19Å |
| 157 | S | 93.8 | Very high | 95 | Very high | 20 Ų | 20 | 41 Ų | 41 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | trans | -57.1 | 141.2 | 172.4 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | L154 K159 R163 | L154-S157 WeakPolarHBondContact O-CB 3.49Å; L154-S157 PolarHBondContact O-N 3.01Å; L154-S157 VanDerWaalsContact O-N 3.15Å; S157-K159 PolarHBondContact O-N 3.29Å; S157-K159 VanDerWaalsContact O-N 3.11Å; S157-K159 PolarHBondContact OG-N 2.91Å; S157-R163 WeakPolarHBondContact O-CD 3.33Å; S157-R163 WeakPolarHBondContact O-CG 3.16Å | ||
| 158 | P | 92.8 | Very high | 95.2 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 79% | 0.786 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -64.1 | -15.2 | 173.4 | 27.2 | -35.5 | 0 | 0 | 0 | 112.7 | P160 | P158-P160 WeakPolarHBondContact O-CD 3.35Š|
| 159 | K | 94.1 | Very high | 95.3 | Very high | 81 Ų | 81 | 42.1 Ų | 42.1 | 35% | 0.352 | 23% | 0.228 | S | C | . | . | trans | -91.3 | 114.5 | -176.7 | -62.2 | 177.3 | -176.5 | 172.3 | 0 | 110.5 | L125 S157 Y161 L162 R163 | L125-K159 HydrophobicContact CB-CD 3.89Å; L125-K159 HydrophobicContact CD2-CD 4.39Å; S157-K159 PolarHBondContact O-N 3.29Å; S157-K159 VanDerWaalsContact O-N 3.11Å; S157-K159 PolarHBondContact OG-N 2.91Å; K159-Y161 PolarHBondContact O-N 3.14Å; K159-L162 HydrophobicContact CB-CD1 4.39Å; K159-L162 HydrophobicContact CB-CG 4.36Å; K159-L162 HydrophobicContact CD-CD1 4.21Å; K159-L162 PolarHBondContact O-N 2.96Å; K159-L162 VanDerWaalsContact O-N 3.11Å; K159-R163 PolarHBondContact O-N 2.85Å | ||
| 160 | P | 96.4 | Very high | 95.4 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 31% | 0.312 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.1 | -35.4 | 179.9 | -25.8 | 34.5 | 0 | 0 | 0 | 114 | P158 L162 R163 K164 D196 V199 | P158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-L162 VanDerWaalsContact C-N 3.31Å; P160-L162 PolarHBondContact O-N 3.3Å; P160-R163 PolarHBondContact O-N 3.45Å; P160-K164 WeakPolarHBondContact O-CB 3.21Å; P160-K164 PolarHBondContact O-N 3.38Å; P160-D196 HydrophobicContact CB-CB 3.74Å; P160-D196 HydrophobicContact CG-CB 4.13Å; P160-V199 HydrophobicContact CB-CG2 4.13Å; P160-V199 WeakPolarHBondContact O-CG2 3.48Å |
| 161 | Y | 95.6 | Very high | 95.4 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 31% | 0.31 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -53.4 | -45.4 | 176.2 | 173.7 | -103.6 | 0 | 0 | 0 | 113.1 | L125 K159 K165 | L125-Y161 HydrophobicContact CD1-CD1 3.87Å; L125-Y161 HydrophobicContact CD1-CE1 3.99Å; K159-Y161 PolarHBondContact O-N 3.14Å; Y161-K165 HydrophobicContact CE1-CD 4.27Å; Y161-K165 HydrophobicContact CE2-CD 4.19Å; Y161-K165 PolarHBondContact O-N 2.98Å; Y161-K165 WeakPolarHBondContact OH-CE 3.41Å |
| 162 | L | 96.5 | Very high | 95.4 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74.4 | -45.1 | 179.4 | -66 | -179 | 0 | 0 | 0 | 111.2 | L125 A128 L132 L154 K159 P160 K164 K165 A166 | L125-L162 WeakPolarHBondContact O-CD2 3.43Å; A128-L162 HydrophobicContact CB-CD1 4.41Å; A128-L162 HydrophobicContact CB-CD2 3.83Å; L132-L162 HydrophobicContact CD1-CD2 4.28Å; L154-L162 HydrophobicContact CD2-CD1 4.37Å; K159-L162 HydrophobicContact CB-CD1 4.39Å; K159-L162 HydrophobicContact CB-CG 4.36Å; K159-L162 HydrophobicContact CD-CD1 4.21Å; K159-L162 PolarHBondContact O-N 2.96Å; K159-L162 VanDerWaalsContact O-N 3.11Å; P160-L162 VanDerWaalsContact C-N 3.31Å; P160-L162 PolarHBondContact O-N 3.3Å; L162-K164 VanDerWaalsContact C-N 3.29Å; L162-K164 PolarHBondContact O-N 3.15Å; L162-K165 PolarHBondContact O-N 3.04Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.48Å |
| 163 | R | 97.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -46.7 | 177 | -63.7 | -165.5 | -68.2 | -175.7 | -5.9 | 111.7 | M155 S157 K159 P160 K165 A166 V167 D194 V199 | M155-R163 WeakPolarHBondContact O-CD 3.49Å; M155-R163 WeakPolarHBondContact O-CG 3.32Å; S157-R163 WeakPolarHBondContact O-CD 3.33Å; S157-R163 WeakPolarHBondContact O-CG 3.16Å; K159-R163 PolarHBondContact O-N 2.85Å; P160-R163 PolarHBondContact O-N 3.45Å; R163-K165 PolarHBondContact O-N 3.19Å; R163-A166 PolarHBondContact O-N 3.45Å; R163-V167 VanDerWaalsContact O-CG2 3.26Å; R163-V167 WeakPolarHBondContact O-CG2 3.44Å; R163-V167 PolarHBondContact O-N 2.82Å; R163-D194 VanDerWaalsContact CZ-CG 3.5Å; R163-D194 IonicContact CZ-OD1 3.67Å; R163-D194 IonicContact CZ-OD2 2.77Å; R163-D194 IonicContact NE-OD1 3.53Å; R163-D194 IonicContact NE-OD2 3.44Å; R163-D194 VanDerWaalsContact NH1-CG 3.27Å; R163-D194 IonicContact NH1-OD1 3.57Å; R163-D194 PolarHBondContact NH1-OD1 3.31Å; R163-D194 VanDerWaalsContact NH1-OD1 3.16Å; R163-D194 IonicContact NH1-OD2 2.79Å; R163-D194 PolarHBondContact NH1-OD2 3.16Å; R163-D194 IonicContact NH2-OD1 3.06Å; R163-D194 PolarHBondContact NH2-OD1 3.14Å; R163-D194 IonicContact NH2-OD2 3.69Å; R163-V199 HydrophobicContact CB-CG1 4.08Å; R163-V199 HydrophobicContact CB-CG2 3.84Å |
| 164 | K | 97.1 | Very high | 95.6 | Very high | 82 Ų | 82 | 40.4 Ų | 40.4 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 179.5 | -176.7 | 175.1 | 67 | -177 | 0 | 111.9 | P160 L162 L168 V199 A202 | P160-K164 WeakPolarHBondContact O-CB 3.21Å; P160-K164 PolarHBondContact O-N 3.38Å; L162-K164 VanDerWaalsContact C-N 3.29Å; L162-K164 PolarHBondContact O-N 3.15Å; K164-L168 WeakPolarHBondContact O-CG 3.26Å; K164-L168 PolarHBondContact O-N 3.2Å; K164-L168 VanDerWaalsContact O-N 3.15Å; K164-V199 HydrophobicContact CB-CG2 4.03Å; K164-A202 HydrophobicContact CG-CB 3.98Å |
| 165 | K | 97 | Very high | 95.5 | Very high | 54 Ų | 54 | 42.8 Ų | 42.8 | 24% | 0.235 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 179.5 | -74 | -176.2 | 175.3 | -68 | 0 | 112.1 | G129 L132 S133 Y161 L162 R163 L168 L169 | G129-K165 WeakPolarHBondContact O-CD 3.24Å; L132-K165 HydrophobicContact CB-CB 3.99Å; L132-K165 HydrophobicContact CD1-CB 3.73Å; L132-K165 HydrophobicContact CG-CB 4.5Å; S133-K165 WeakPolarHBondContact OG-CE 3.11Å; S133-K165 PolarHBondContact OG-NZ 2.95Å; Y161-K165 HydrophobicContact CE1-CD 4.27Å; Y161-K165 HydrophobicContact CE2-CD 4.19Å; Y161-K165 PolarHBondContact O-N 2.98Å; Y161-K165 WeakPolarHBondContact OH-CE 3.41Å; L162-K165 PolarHBondContact O-N 3.04Å; R163-K165 PolarHBondContact O-N 3.19Å; K165-L168 PolarHBondContact O-N 3.39Å; K165-L169 WeakPolarHBondContact O-CB 3.5Å; K165-L169 PolarHBondContact O-N 3.26Å |
| 166 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L132 I151 L154 M155 L162 R163 L168 L169 L170 | L132-A166 HydrophobicContact CD1-CB 4.35Å; L132-A166 HydrophobicContact CD2-CB 4.37Å; I151-A166 HydrophobicContact CG2-CB 4.22Å; L154-A166 HydrophobicContact CB-CB 3.96Å; M155-A166 HydrophobicContact CG-CB 3.88Å; L162-A166 WeakPolarHBondContact O-CB 3.48Å; L162-A166 PolarHBondContact O-N 3.48Å; R163-A166 PolarHBondContact O-N 3.45Å; A166-L168 PolarHBondContact O-N 2.97Å; A166-L169 PolarHBondContact O-N 2.94Å; A166-L170 PolarHBondContact O-N 3.09Å |
| 167 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 175 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | M155 R163 L169 L170 L188 K191 A202 A203 V206 | M155-V167 HydrophobicContact CE-CG2 3.96Å; M155-V167 HydrophobicContact CG-CG2 4.2Å; M155-V167 HydrophobicContact SD-CG2 4.45Å; R163-V167 VanDerWaalsContact O-CG2 3.26Å; R163-V167 WeakPolarHBondContact O-CG2 3.44Å; R163-V167 PolarHBondContact O-N 2.82Å; V167-L169 PolarHBondContact O-N 3.25Å; V167-L170 WeakPolarHBondContact O-CB 3.47Å; V167-L170 PolarHBondContact O-N 3.07Å; V167-L188 HydrophobicContact CG1-CD1 3.91Å; V167-K191 HydrophobicContact CG2-CG 4.09Å; V167-A202 HydrophobicContact CB-CB 4.3Å; V167-A202 HydrophobicContact CG1-CB 3.9Å; V167-A203 HydrophobicContact CG1-CB 4.3Å; V167-V206 HydrophobicContact CG1-CG2 3.98Å; V167-V206 WeakPolarHBondContact O-CG2 3.43Å |
| 168 | L | 97.5 | Very high | 95.5 | Very high | 75 Ų | 75 | 47.3 Ų | 47.3 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 179.3 | -69.3 | 173.8 | 0 | 0 | 0 | 112.7 | K164 K165 A166 L170 Y171 A202 V206 | K164-L168 WeakPolarHBondContact O-CG 3.26Å; K164-L168 PolarHBondContact O-N 3.2Å; K164-L168 VanDerWaalsContact O-N 3.15Å; K165-L168 PolarHBondContact O-N 3.39Å; A166-L168 PolarHBondContact O-N 2.97Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 2.84Å; L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.13Å; L168-A202 HydrophobicContact CD2-CB 3.95Å; L168-A202 HydrophobicContact CG-CB 3.96Å; L168-V206 HydrophobicContact CD2-CG2 4.37Å |
| 169 | L | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63 | -36.8 | 177 | 175.3 | 59.1 | 0 | 0 | 0 | 111.5 | L132 V135 A136 I139 I151 K165 A166 V167 Y171 K172 V173 | L132-L169 HydrophobicContact CD2-CD2 3.57Å; V135-L169 HydrophobicContact CB-CD2 4.48Å; V135-L169 HydrophobicContact CG1-CD1 4.22Å; V135-L169 HydrophobicContact CG1-CD2 4.35Å; A136-L169 VanDerWaalsContact CA-CD1 3.46Å; A136-L169 HydrophobicContact CB-CD1 3.69Å; I139-L169 HydrophobicContact CD1-CD1 4.37Å; I151-L169 HydrophobicContact CD1-CD2 3.48Å; I151-L169 VanDerWaalsContact CD1-CD2 3.48Å; I151-L169 HydrophobicContact CD1-CG 4.01Å; I151-L169 HydrophobicContact CG1-CD2 3.82Å; I151-L169 HydrophobicContact CG2-CD2 4.26Å; I151-L169 HydrophobicContact CG2-CG 4.49Å; K165-L169 WeakPolarHBondContact O-CB 3.5Å; K165-L169 PolarHBondContact O-N 3.26Å; A166-L169 PolarHBondContact O-N 2.94Å; V167-L169 PolarHBondContact O-N 3.25Å; L169-Y171 PolarHBondContact O-N 2.85Å; L169-Y171 VanDerWaalsContact O-N 3.14Å; L169-K172 HydrophobicContact CD1-CB 4.45Å; L169-K172 WeakPolarHBondContact O-CA 3.39Å; L169-K172 WeakPolarHBondContact O-CB 3.48Å; L169-K172 PolarHBondContact O-N 3.37Å; L169-V173 HydrophobicContact CG-CG2 4.31Å; L169-V173 PolarHBondContact O-N 2.72Å |
| 170 | L | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.7 | -31.5 | 178.5 | -84.4 | -175.2 | 0 | 0 | 0 | 113.5 | I151 M155 A166 V167 L168 K172 V173 F174 C184 | I151-L170 HydrophobicContact CG2-CD2 3.94Å; I151-L170 HydrophobicContact CG2-CG 3.99Å; M155-L170 HydrophobicContact CE-CD1 4.35Å; M155-L170 HydrophobicContact CG-CD1 4.24Å; M155-L170 HydrophobicContact SD-CD1 3.11Å; M155-L170 WeakPolarHBondContact SD-CD1 3.45Å; M155-L170 HydrophobicContact SD-CG 4.27Å; A166-L170 PolarHBondContact O-N 3.09Å; V167-L170 WeakPolarHBondContact O-CB 3.47Å; V167-L170 PolarHBondContact O-N 3.07Å; L168-L170 VanDerWaalsContact C-N 3.29Å; L168-L170 PolarHBondContact O-N 2.84Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 3.08Å; L170-V173 HydrophobicContact CD2-CB 4.21Å; L170-V173 HydrophobicContact CD2-CG1 4.4Å; L170-V173 HydrophobicContact CD2-CG2 4.28Å; L170-V173 WeakPolarHBondContact O-CB 3.38Å; L170-V173 PolarHBondContact O-N 3.01Å; L170-V173 VanDerWaalsContact O-N 3.16Å; L170-F174 HydrophobicContact CB-CE1 4.37Å; L170-F174 HydrophobicContact CB-CE2 3.87Å; L170-F174 HydrophobicContact CB-CZ 3.79Å; L170-F174 HydrophobicContact CD1-CZ 3.96Å; L170-F174 HydrophobicContact CD2-CE1 4.15Å; L170-F174 HydrophobicContact CD2-CZ 4.24Å; L170-F174 HydrophobicContact CG-CZ 4.25Å; L170-F174 WeakPolarHBondContact O-CD2 3.44Å; L170-F174 WeakPolarHBondContact O-CG 3.41Å; L170-F174 PolarHBondContact O-N 3.19Å; L170-C184 HydrophobicContact CD1-CB 4.23Å |
| 171 | Y | 95.6 | Very high | 95.2 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.4 | -46.3 | 172.5 | 176.5 | -110 | 0 | 0 | 0 | 111.7 | L168 L169 F174 L175 V206 E209 L210 | L168-Y171 WeakPolarHBondContact O-CB 3.39Å; L168-Y171 PolarHBondContact O-N 3.13Å; L169-Y171 PolarHBondContact O-N 2.85Å; L169-Y171 VanDerWaalsContact O-N 3.14Å; Y171-F174 PolarHBondContact O-N 3.24Å; Y171-L175 HydrophobicContact CD1-CD1 4.27Å; Y171-L175 HydrophobicContact CE1-CD1 3.66Å; Y171-L175 HydrophobicContact CE1-CG 4.4Å; Y171-L175 WeakPolarHBondContact O-CG 3.4Å; Y171-L175 PolarHBondContact O-N 3.24Å; Y171-V206 HydrophobicContact CD2-CG1 4.4Å; Y171-E209 HydrophobicContact CD2-CB 4.07Å; Y171-E209 HydrophobicContact CE2-CB 3.48Å; Y171-E209 VanDerWaalsContact CE2-CB 3.48Å; Y171-E209 HydrophobicContact CE2-CG 4.4Å; Y171-L210 HydrophobicContact CD2-CD2 4.09Å; Y171-L210 HydrophobicContact CD2-CG 4.27Å; Y171-L210 HydrophobicContact CE2-CD2 4.18Å; Y171-L210 HydrophobicContact CE2-CG 4.5Å |
| 172 | K | 94.2 | Very high | 94.9 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 39% | 0.391 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -69.3 | -34.5 | 177.6 | -66.5 | -71.6 | -167.4 | 168.3 | 0 | 112.1 | I139 L169 L170 L175 N176 | I139-K172 HydrophobicContact CG2-CB 3.8Å; L169-K172 HydrophobicContact CD1-CB 4.45Å; L169-K172 WeakPolarHBondContact O-CA 3.39Å; L169-K172 WeakPolarHBondContact O-CB 3.48Å; L169-K172 PolarHBondContact O-N 3.37Å; L170-K172 VanDerWaalsContact C-N 3.28Å; L170-K172 PolarHBondContact O-N 3.08Å; K172-L175 PolarHBondContact O-N 2.97Å; K172-N176 PolarHBondContact O-N 2.81Å; K172-N176 PolarHBondContact O-ND2 2.9Å |
| 173 | V | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.7 | -49.4 | 171.6 | 177.1 | 0 | 0 | 0 | 0 | 110 | I139 A144 I151 L169 L170 L175 N176 Y177 A180 | I139-V173 HydrophobicContact CD1-CB 4.44Å; I139-V173 HydrophobicContact CD1-CG2 3.58Å; A144-V173 HydrophobicContact CB-CG1 4.2Å; I151-V173 HydrophobicContact CD1-CG2 3.81Å; L169-V173 HydrophobicContact CG-CG2 4.31Å; L169-V173 PolarHBondContact O-N 2.72Å; L170-V173 HydrophobicContact CD2-CB 4.21Å; L170-V173 HydrophobicContact CD2-CG1 4.4Å; L170-V173 HydrophobicContact CD2-CG2 4.28Å; L170-V173 WeakPolarHBondContact O-CB 3.38Å; L170-V173 PolarHBondContact O-N 3.01Å; L170-V173 VanDerWaalsContact O-N 3.16Å; V173-L175 PolarHBondContact O-N 3.39Å; V173-N176 PolarHBondContact O-N 2.97Å; V173-N176 VanDerWaalsContact O-N 3.09Å; V173-Y177 PolarHBondContact O-N 3.38Å; V173-A180 HydrophobicContact CG1-CB 4.21Å |
| 174 | F | 95.1 | Very high | 94.6 | Very high | 10 Ų | 10 | 49 Ų | 49 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -29.1 | -179.6 | -56.4 | -35.3 | 0 | 0 | 0 | 113.7 | L170 Y171 P178 A180 L181 C184 L188 V206 L210 | L170-F174 HydrophobicContact CB-CE1 4.37Å; L170-F174 HydrophobicContact CB-CE2 3.87Å; L170-F174 HydrophobicContact CB-CZ 3.79Å; L170-F174 HydrophobicContact CD1-CZ 3.96Å; L170-F174 HydrophobicContact CD2-CE1 4.15Å; L170-F174 HydrophobicContact CD2-CZ 4.24Å; L170-F174 HydrophobicContact CG-CZ 4.25Å; L170-F174 WeakPolarHBondContact O-CD2 3.44Å; L170-F174 WeakPolarHBondContact O-CG 3.41Å; L170-F174 PolarHBondContact O-N 3.19Å; Y171-F174 PolarHBondContact O-N 3.24Å; F174-P178 WeakPolarHBondContact O-CA 3.35Å; F174-A180 HydrophobicContact CD1-CB 4.39Å; F174-L181 HydrophobicContact CD1-CB 3.88Å; F174-L181 HydrophobicContact CD1-CD1 4.18Å; F174-L181 HydrophobicContact CD2-CD1 3.88Å; F174-L181 HydrophobicContact CE1-CB 4.25Å; F174-L181 HydrophobicContact CE1-CD1 4.13Å; F174-L181 HydrophobicContact CE2-CD1 3.81Å; F174-L181 HydrophobicContact CG-CB 4.22Å; F174-L181 HydrophobicContact CG-CD1 4.06Å; F174-L181 HydrophobicContact CZ-CD1 3.93Å; F174-C184 HydrophobicContact CE1-CB 3.8Å; F174-C184 HydrophobicContact CZ-CB 3.88Å; F174-L188 HydrophobicContact CE2-CD2 3.97Å; F174-L188 HydrophobicContact CZ-CD2 4.41Å; F174-V206 HydrophobicContact CE2-CG1 4.29Å; F174-L210 HydrophobicContact CB-CD2 4.37Å; F174-L210 HydrophobicContact CD2-CD1 3.87Å; F174-L210 HydrophobicContact CD2-CD2 4.18Å; F174-L210 HydrophobicContact CE2-CD1 4.11Å |
| 175 | L | 93.2 | Very high | 94.4 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 35% | 0.346 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.4 | -34.2 | 175.4 | -68.5 | -177 | 0 | 0 | 0 | 112.7 | Y171 K172 V173 | Y171-L175 HydrophobicContact CD1-CD1 4.27Å; Y171-L175 HydrophobicContact CE1-CD1 3.66Å; Y171-L175 HydrophobicContact CE1-CG 4.4Å; Y171-L175 WeakPolarHBondContact O-CG 3.4Å; Y171-L175 PolarHBondContact O-N 3.24Å; K172-L175 PolarHBondContact O-N 2.97Å; V173-L175 PolarHBondContact O-N 3.39Å |
| 176 | N | 92.1 | Very high | 94.3 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -92.6 | -31.2 | -178.9 | -72.8 | -81.2 | 0 | 0 | 0 | 112.9 | I139 P141 A144 K172 V173 | I139-N176 PolarHBondContact O-ND2 3.13Å; P141-N176 HydrophobicContact CG-CB 4.47Å; A144-N176 HydrophobicContact CB-CB 4.02Å; K172-N176 PolarHBondContact O-N 2.81Å; K172-N176 PolarHBondContact O-ND2 2.9Å; V173-N176 PolarHBondContact O-N 2.97Å; V173-N176 VanDerWaalsContact O-N 3.09Å |
| 177 | Y | 94.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 26% | 0.255 | 25% | 0.247 | S | C | . | . | trans | -135 | 85 | 179 | -177.5 | -129.7 | 0 | 0 | 0 | 110.5 | T145 Y148 V173 E179 A180 | T145-Y177 HydrophobicContact CG2-CD1 3.96Å; T145-Y177 HydrophobicContact CG2-CD2 3.55Å; T145-Y177 HydrophobicContact CG2-CE1 4.13Å; T145-Y177 HydrophobicContact CG2-CE2 3.72Å; T145-Y177 HydrophobicContact CG2-CG 3.7Å; Y148-Y177 HydrophobicContact CD1-CD1 4.41Å; Y148-Y177 HydrophobicContact CD1-CE1 4.2Å; Y148-Y177 HydrophobicContact CE1-CE1 4.2Å; V173-Y177 PolarHBondContact O-N 3.38Å; Y177-E179 VanDerWaalsContact C-N 3.29Å; Y177-E179 HydrophobicContact CD2-CB 4.44Å; Y177-E179 HydrophobicContact CE1-CB 4.39Å; Y177-E179 HydrophobicContact CE2-CB 3.78Å; Y177-E179 HydrophobicContact CE2-CG 4.27Å; Y177-E179 PolarHBondContact O-N 3.32Å; Y177-A180 HydrophobicContact CD1-CB 3.49Å; Y177-A180 VanDerWaalsContact CD1-CB 3.49Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CG-CB 4.43Å; Y177-A180 PolarHBondContact O-N 3.26Å | ||
| 178 | P | 92.3 | Very high | 93.9 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 53% | 0.532 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.5 | -174.3 | -26.6 | 36 | 0 | 0 | 0 | 114.9 | F174 A180 L181 | F174-P178 WeakPolarHBondContact O-CA 3.35Å; P178-A180 PolarHBondContact O-N 2.97Å; P178-L181 VanDerWaalsContact O-CB 3.22Å; P178-L181 WeakPolarHBondContact O-CB 3.44Å; P178-L181 PolarHBondContact O-N 3.01Å |
| 179 | E | 91.5 | Very high | 93.8 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 41% | 0.411 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -30 | -179.7 | -65.8 | -55.7 | 128.9 | 0 | 0 | 112.5 | Y177 L181 R182 | Y177-E179 VanDerWaalsContact C-N 3.29Å; Y177-E179 HydrophobicContact CD2-CB 4.44Å; Y177-E179 HydrophobicContact CE1-CB 4.39Å; Y177-E179 HydrophobicContact CE2-CB 3.78Å; Y177-E179 HydrophobicContact CE2-CG 4.27Å; Y177-E179 PolarHBondContact O-N 3.32Å; E179-L181 PolarHBondContact O-N 3.09Å; E179-L181 VanDerWaalsContact O-N 3.16Å; E179-R182 PolarHBondContact O-N 3.3Å; E179-R182 IonicContact OE1-NH1 3.66Å; E179-R182 IonicContact OE2-CZ 2.81Å; E179-R182 IonicContact OE2-NH1 3.11Å; E179-R182 PolarHBondContact OE2-NH1 3.26Å |
| 180 | A | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -23.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y148 V173 F174 Y177 P178 R182 I183 C184 | Y148-A180 HydrophobicContact CD2-CB 4.18Å; Y148-A180 HydrophobicContact CG-CB 4.22Å; V173-A180 HydrophobicContact CG1-CB 4.21Å; F174-A180 HydrophobicContact CD1-CB 4.39Å; Y177-A180 HydrophobicContact CD1-CB 3.49Å; Y177-A180 VanDerWaalsContact CD1-CB 3.49Å; Y177-A180 HydrophobicContact CE1-CB 3.83Å; Y177-A180 HydrophobicContact CG-CB 4.43Å; Y177-A180 PolarHBondContact O-N 3.26Å; P178-A180 PolarHBondContact O-N 2.97Å; A180-R182 PolarHBondContact O-N 3.02Å; A180-I183 PolarHBondContact O-N 3.5Å; A180-C184 WeakPolarHBondContact O-CB 3.33Å; A180-C184 PolarHBondContact O-N 2.92Å; A180-C184 PolarHBondContact O-SG 3.38Å |
| 181 | L | 92.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 57.6 Ų | 57.6 | 22% | 0.22 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 178.2 | 179.5 | 60.1 | 0 | 0 | 0 | 110.9 | F174 P178 E179 I183 C184 F185 L210 | F174-L181 HydrophobicContact CD1-CB 3.88Å; F174-L181 HydrophobicContact CD1-CD1 4.18Å; F174-L181 HydrophobicContact CD2-CD1 3.88Å; F174-L181 HydrophobicContact CE1-CB 4.25Å; F174-L181 HydrophobicContact CE1-CD1 4.13Å; F174-L181 HydrophobicContact CE2-CD1 3.81Å; F174-L181 HydrophobicContact CG-CB 4.22Å; F174-L181 HydrophobicContact CG-CD1 4.06Å; F174-L181 HydrophobicContact CZ-CD1 3.93Å; P178-L181 VanDerWaalsContact O-CB 3.22Å; P178-L181 WeakPolarHBondContact O-CB 3.44Å; P178-L181 PolarHBondContact O-N 3.01Å; E179-L181 PolarHBondContact O-N 3.09Å; E179-L181 VanDerWaalsContact O-N 3.16Å; L181-I183 PolarHBondContact O-N 3.03Å; L181-C184 PolarHBondContact O-N 3.19Å; L181-F185 HydrophobicContact CD1-CB 4.4Å; L181-F185 HydrophobicContact CD1-CD2 4.2Å; L181-F185 WeakPolarHBondContact O-CB 3.37Å; L181-F185 PolarHBondContact O-N 3.34Å; L181-L210 HydrophobicContact CD1-CD1 3.87Å |
| 182 | R | 90.7 | Very high | 93.6 | Very high | 186 Ų | 186 | 55.3 Ų | 55.3 | 70% | 0.702 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58.9 | -38.8 | -178.7 | -65.8 | 176.2 | 178.4 | 156.3 | -4.7 | 111.7 | E179 A180 | E179-R182 PolarHBondContact O-N 3.3Å; E179-R182 IonicContact OE1-NH1 3.66Å; E179-R182 IonicContact OE2-CZ 2.81Å; E179-R182 IonicContact OE2-NH1 3.11Å; E179-R182 PolarHBondContact OE2-NH1 3.26Å; A180-R182 PolarHBondContact O-N 3.02Å |
| 183 | I | 92.4 | Very high | 93.6 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 45% | 0.451 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75 | -46.3 | -178 | -56.7 | 170.7 | 0 | 0 | 0 | 111 | Y148 A180 L181 P186 | Y148-I183 HydrophobicContact CE2-CD1 4.26Å; Y148-I183 HydrophobicContact CE2-CG2 4.47Å; A180-I183 PolarHBondContact O-N 3.5Å; L181-I183 PolarHBondContact O-N 3.03Å; I183-P186 WeakPolarHBondContact O-CD 3.08Å |
| 184 | C | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -84.5 | -18.5 | -172.9 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | L152 L170 F174 A180 L181 Q187 L188 | L152-C184 HydrophobicContact CD1-CB 3.82Å; L170-C184 HydrophobicContact CD1-CB 4.23Å; F174-C184 HydrophobicContact CE1-CB 3.8Å; F174-C184 HydrophobicContact CZ-CB 3.88Å; A180-C184 WeakPolarHBondContact O-CB 3.33Å; A180-C184 PolarHBondContact O-N 2.92Å; A180-C184 PolarHBondContact O-SG 3.38Å; L181-C184 PolarHBondContact O-N 3.19Å; C184-Q187 PolarHBondContact O-N 3.26Å; C184-L188 PolarHBondContact O-N 2.84Å |
| 185 | F | 94 | Very high | 93.5 | Very high | 49 Ų | 49 | 60.9 Ų | 60.9 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -40.3 | -172 | -173.2 | -109.6 | 0 | 0 | 0 | 115 | L181 Q187 L188 K189 Y218 L221 | L181-F185 HydrophobicContact CD1-CB 4.4Å; L181-F185 HydrophobicContact CD1-CD2 4.2Å; L181-F185 WeakPolarHBondContact O-CB 3.37Å; L181-F185 PolarHBondContact O-N 3.34Å; F185-Q187 VanDerWaalsContact C-N 3.33Å; F185-Q187 PolarHBondContact O-N 3.04Å; F185-L188 HydrophobicContact CD2-CD2 4.31Å; F185-L188 PolarHBondContact O-N 3.22Å; F185-K189 WeakPolarHBondContact O-CB 3.09Å; F185-K189 PolarHBondContact O-N 2.97Å; F185-Y218 HydrophobicContact CD2-CE1 4.46Å; F185-Y218 HydrophobicContact CE2-CD1 4.02Å; F185-Y218 AromaticContact CE2-CE1 3.53Å; F185-Y218 HydrophobicContact CE2-CE1 3.53Å; F185-Y218 AromaticContact CZ-CD1 4Å; F185-Y218 HydrophobicContact CZ-CD1 4Å; F185-Y218 AromaticContact CZ-CE1 3.9Å; F185-Y218 HydrophobicContact CZ-CE1 3.9Å; F185-L221 HydrophobicContact CE2-CD1 4.48Å; F185-L221 HydrophobicContact CZ-CD1 3.94Å; F185-L221 HydrophobicContact CZ-CG 4.49Å |
| 186 | P | 93.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 60 Ų | 60 | 47% | 0.474 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.1 | -46.5 | 175.1 | -26 | 35.7 | 0 | 0 | 0 | 112.4 | I183 K189 D190 | I183-P186 WeakPolarHBondContact O-CD 3.08Å; P186-K189 WeakPolarHBondContact O-CB 3.43Å; P186-K189 PolarHBondContact O-N 3.4Å; P186-D190 PolarHBondContact O-N 3.23Å |
| 187 | Q | 93.2 | Very high | 93.5 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 27% | 0.266 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.4 | -34.3 | 178.8 | -69.3 | 178.6 | -51.3 | 0 | 0 | 112.1 | L152 M155 N156 C184 F185 K189 D190 K191 | L152-Q187 HydrophobicContact CD1-CB 4.38Å; L152-Q187 VanDerWaalsContact CD2-OE1 3.26Å; M155-Q187 HydrophobicContact CE-CB 4.18Å; N156-Q187 PolarHBondContact ND2-NE2 3.32Å; C184-Q187 PolarHBondContact O-N 3.26Å; F185-Q187 VanDerWaalsContact C-N 3.33Å; F185-Q187 PolarHBondContact O-N 3.04Å; Q187-K189 VanDerWaalsContact C-N 3.34Å; Q187-D190 PolarHBondContact O-N 2.97Å; Q187-K191 WeakPolarHBondContact O-CG 3.44Å; Q187-K191 PolarHBondContact O-N 2.99Å |
| 188 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 172.5 | -179.3 | 63.1 | 0 | 0 | 0 | 111.7 | M155 V167 F174 C184 F185 D190 K191 A203 V206 I207 L210 | M155-L188 HydrophobicContact CE-CB 4.49Å; V167-L188 HydrophobicContact CG1-CD1 3.91Å; F174-L188 HydrophobicContact CE2-CD2 3.97Å; F174-L188 HydrophobicContact CZ-CD2 4.41Å; C184-L188 PolarHBondContact O-N 2.84Å; F185-L188 HydrophobicContact CD2-CD2 4.31Å; F185-L188 PolarHBondContact O-N 3.22Å; L188-D190 VanDerWaalsContact C-N 3.35Å; L188-K191 PolarHBondContact O-N 2.97Å; L188-A203 HydrophobicContact CD1-CB 4.41Å; L188-V206 HydrophobicContact CD1-CG1 4.42Å; L188-V206 HydrophobicContact CD2-CG1 4.02Å; L188-I207 HydrophobicContact CD2-CG1 3.92Å; L188-I207 HydrophobicContact CG-CD1 4.17Å; L188-I207 HydrophobicContact CG-CG1 4.09Å; L188-L210 HydrophobicContact CD2-CD1 4.37Å |
| 189 | K | 94.6 | Very high | 93.7 | Very high | 86 Ų | 86 | 55.8 Ų | 55.8 | 37% | 0.374 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -42.9 | 174.7 | 179.8 | -174.5 | 174.9 | -173 | 0 | 111 | F185 P186 Q187 K191 L192 L221 I224 | F185-K189 WeakPolarHBondContact O-CB 3.09Å; F185-K189 PolarHBondContact O-N 2.97Å; P186-K189 WeakPolarHBondContact O-CB 3.43Å; P186-K189 PolarHBondContact O-N 3.4Å; Q187-K189 VanDerWaalsContact C-N 3.34Å; K189-K191 PolarHBondContact O-N 3.22Å; K189-L192 VanDerWaalsContact O-CB 3.26Å; K189-L192 WeakPolarHBondContact O-CB 3.42Å; K189-L192 PolarHBondContact O-N 3.41Å; K189-L221 HydrophobicContact CD-CD2 3.84Å; K189-L221 HydrophobicContact CG-CD2 3.87Å; K189-I224 HydrophobicContact CG-CD1 4.43Å |
| 190 | D | 94.6 | Very high | 93.8 | Very high | 109 Ų | 109 | 53.1 Ų | 53.1 | 58% | 0.583 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.4 | -29.7 | 177.8 | -64.9 | -21.2 | 0 | 0 | 0 | 112.4 | P186 Q187 L188 L192 D193 | P186-D190 PolarHBondContact O-N 3.23Å; Q187-D190 PolarHBondContact O-N 2.97Å; L188-D190 VanDerWaalsContact C-N 3.35Å; D190-L192 PolarHBondContact O-N 3.37Å; D190-D193 PolarHBondContact O-N 3.35Å |
| 191 | K | 95.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 8% | 0.078 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -70.4 | -8.5 | 175.4 | -55.8 | -47.3 | 160.9 | 177.1 | 0 | 114.2 | M155 N156 V167 Q187 L188 K189 D193 D194 V199 A203 | M155-K191 HydrophobicContact CE-CD 4.33Å; M155-K191 HydrophobicContact CE-CG 3.57Å; M155-K191 WeakPolarHBondContact O-CE 3.45Å; M155-K191 PolarHBondContact O-NZ 2.88Å; N156-K191 PolarHBondContact OD1-NZ 3.19Å; V167-K191 HydrophobicContact CG2-CG 4.09Å; Q187-K191 WeakPolarHBondContact O-CG 3.44Å; Q187-K191 PolarHBondContact O-N 2.99Å; L188-K191 PolarHBondContact O-N 2.97Å; K189-K191 PolarHBondContact O-N 3.22Å; K191-D193 VanDerWaalsContact C-N 3.25Å; K191-D193 PolarHBondContact O-N 2.91Å; K191-D194 WeakPolarHBondContact O-CB 3.48Å; K191-D194 PolarHBondContact O-N 3.2Å; K191-V199 HydrophobicContact CB-CG1 4.33Å; K191-V199 HydrophobicContact CD-CG1 4.47Å; K191-A203 HydrophobicContact CB-CB 3.76Å |
| 192 | L | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -68.1 | -25.9 | 170.5 | -70.3 | 175.4 | 0 | 0 | 0 | 112.6 | K189 D190 Q200 A203 V204 I207 L221 I224 F225 L228 | K189-L192 VanDerWaalsContact O-CB 3.26Å; K189-L192 WeakPolarHBondContact O-CB 3.42Å; K189-L192 PolarHBondContact O-N 3.41Å; D190-L192 PolarHBondContact O-N 3.37Å; L192-Q200 WeakPolarHBondContact O-CG 3.28Å; L192-Q200 PolarHBondContact O-NE2 2.91Å; L192-A203 HydrophobicContact CD2-CB 4.16Å; L192-V204 HydrophobicContact CD2-CG2 3.68Å; L192-I207 HydrophobicContact CD1-CD1 3.77Å; L192-I207 HydrophobicContact CD2-CD1 3.82Å; L192-I207 HydrophobicContact CG-CD1 3.82Å; L192-L221 HydrophobicContact CD1-CD1 4.41Å; L192-I224 HydrophobicContact CB-CG2 4.07Å; L192-I224 HydrophobicContact CD1-CG2 3.91Å; L192-F225 HydrophobicContact CD1-CE1 4.38Å; L192-F225 HydrophobicContact CD1-CZ 4.32Å; L192-F225 HydrophobicContact CD2-CE1 4.03Å; L192-F225 HydrophobicContact CD2-CZ 4.5Å; L192-L228 HydrophobicContact CD2-CD1 4.36Å |
| 193 | D | 92.8 | Very high | 94.4 | Very high | 90 Ų | 90 | 44 Ų | 44 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -106.5 | 25.4 | 174.9 | -73 | -58.5 | 0 | 0 | 0 | 111.2 | D190 K191 K227 | D190-D193 PolarHBondContact O-N 3.35Å; K191-D193 VanDerWaalsContact C-N 3.25Å; K191-D193 PolarHBondContact O-N 2.91Å; D193-K227 IonicContact OD1-NZ 2.63Å |
| 194 | D | 95.3 | Very high | 94.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | trans | -64.8 | 141 | 178.6 | -159.9 | -78.4 | 0 | 0 | 0 | 111.8 | R163 K191 D196 V199 | R163-D194 VanDerWaalsContact CZ-CG 3.5Å; R163-D194 IonicContact CZ-OD1 3.67Å; R163-D194 IonicContact CZ-OD2 2.77Å; R163-D194 IonicContact NE-OD1 3.53Å; R163-D194 IonicContact NE-OD2 3.44Å; R163-D194 VanDerWaalsContact NH1-CG 3.27Å; R163-D194 IonicContact NH1-OD1 3.57Å; R163-D194 PolarHBondContact NH1-OD1 3.31Å; R163-D194 VanDerWaalsContact NH1-OD1 3.16Å; R163-D194 IonicContact NH1-OD2 2.79Å; R163-D194 PolarHBondContact NH1-OD2 3.16Å; R163-D194 IonicContact NH2-OD1 3.06Å; R163-D194 PolarHBondContact NH2-OD1 3.14Å; R163-D194 IonicContact NH2-OD2 3.69Å; K191-D194 WeakPolarHBondContact O-CB 3.48Å; K191-D194 PolarHBondContact O-N 3.2Å; D194-D196 PolarHBondContact O-N 3.35Å; D194-D196 PolarHBondContact OD1-N 2.84Å; D194-V199 HydrophobicContact CB-CB 4.09Å; D194-V199 HydrophobicContact CB-CG1 3.9Å; D194-V199 VanDerWaalsContact CG-CG1 3.48Å | ||
| 195 | P | 93.6 | Very high | 94.6 | Very high | 115 Ų | 115 | 41.8 Ų | 41.8 | 75% | 0.747 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -65 | -25.6 | 178.9 | 25.6 | -37.1 | 0 | 0 | 0 | 113.9 | ||
| 196 | D | 95 | Very high | 94.7 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -88.5 | 121.7 | 177.3 | -178.5 | 82.4 | 0 | 0 | 0 | 110.7 | P160 D194 G198 V199 Q200 | P160-D196 HydrophobicContact CB-CB 3.74Å; P160-D196 HydrophobicContact CG-CB 4.13Å; D194-D196 PolarHBondContact O-N 3.35Å; D194-D196 PolarHBondContact OD1-N 2.84Å; D196-G198 PolarHBondContact O-N 3.16Å; D196-G198 WeakPolarHBondContact OD2-CA 3.17Å; D196-G198 PolarHBondContact OD2-N 3.44Å; D196-V199 HydrophobicContact CB-CB 4.22Å; D196-V199 HydrophobicContact CB-CG2 3.87Å; D196-V199 PolarHBondContact O-N 3.14Å; D196-V199 VanDerWaalsContact O-N 3.12Å; D196-V199 PolarHBondContact OD2-N 3.3Å; D196-Q200 PolarHBondContact O-N 3.47Å |
| 197 | P | 91.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 36 Ų | 36 | 56% | 0.558 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.2 | -26 | -178.2 | 25.4 | -34.2 | 0 | 0 | 0 | 112.8 | S201 | P197-S201 VanDerWaalsContact O-CB 3.23Å; P197-S201 WeakPolarHBondContact O-CB 3.31Å; P197-S201 PolarHBondContact O-N 3.5Å |
| 198 | G | 92.5 | Very high | 94.8 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D196 A202 | D196-G198 PolarHBondContact O-N 3.16Å; D196-G198 WeakPolarHBondContact OD2-CA 3.17Å; D196-G198 PolarHBondContact OD2-N 3.44Å; G198-A202 PolarHBondContact O-N 3Å |
| 199 | V | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -46.1 | 174.2 | -178 | 0 | 0 | 0 | 0 | 110.7 | P160 R163 K164 K191 D194 D196 S201 A202 A203 | P160-V199 HydrophobicContact CB-CG2 4.13Å; P160-V199 WeakPolarHBondContact O-CG2 3.48Å; R163-V199 HydrophobicContact CB-CG1 4.08Å; R163-V199 HydrophobicContact CB-CG2 3.84Å; K164-V199 HydrophobicContact CB-CG2 4.03Å; K191-V199 HydrophobicContact CB-CG1 4.33Å; K191-V199 HydrophobicContact CD-CG1 4.47Å; D194-V199 HydrophobicContact CB-CB 4.09Å; D194-V199 HydrophobicContact CB-CG1 3.9Å; D194-V199 VanDerWaalsContact CG-CG1 3.48Å; D196-V199 HydrophobicContact CB-CB 4.22Å; D196-V199 HydrophobicContact CB-CG2 3.87Å; D196-V199 PolarHBondContact O-N 3.14Å; D196-V199 VanDerWaalsContact O-N 3.12Å; D196-V199 PolarHBondContact OD2-N 3.3Å; V199-S201 VanDerWaalsContact C-N 3.33Å; V199-S201 PolarHBondContact O-N 3.18Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.06Å; V199-A202 VanDerWaalsContact O-N 3.13Å; V199-A203 PolarHBondContact O-N 2.9Å |
| 200 | Q | 95 | Very high | 94.6 | Very high | 32 Ų | 32 | 31.9 Ų | 31.9 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 174.7 | 176.4 | 180 | 81.1 | 0 | 0 | 111.3 | L192 D196 A202 A203 V204 L228 | L192-Q200 WeakPolarHBondContact O-CG 3.28Å; L192-Q200 PolarHBondContact O-NE2 2.91Å; D196-Q200 PolarHBondContact O-N 3.47Å; Q200-A202 VanDerWaalsContact C-N 3.3Å; Q200-A202 PolarHBondContact O-N 3.02Å; Q200-A203 PolarHBondContact O-N 3.47Å; Q200-V204 WeakPolarHBondContact O-CG2 3.3Å; Q200-V204 PolarHBondContact O-N 3.36Å; Q200-L228 HydrophobicContact CG-CD2 4.49Å |
| 201 | S | 94.6 | Very high | 94.5 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 177.3 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | P197 V199 N205 | P197-S201 VanDerWaalsContact O-CB 3.23Å; P197-S201 WeakPolarHBondContact O-CB 3.31Å; P197-S201 PolarHBondContact O-N 3.5Å; V199-S201 VanDerWaalsContact C-N 3.33Å; V199-S201 PolarHBondContact O-N 3.18Å; S201-N205 WeakPolarHBondContact O-CB 3.44Å; S201-N205 PolarHBondContact O-N 3.35Å |
| 202 | A | 96.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K164 V167 L168 G198 V199 Q200 N205 V206 | K164-A202 HydrophobicContact CG-CB 3.98Å; V167-A202 HydrophobicContact CB-CB 4.3Å; V167-A202 HydrophobicContact CG1-CB 3.9Å; L168-A202 HydrophobicContact CD2-CB 3.95Å; L168-A202 HydrophobicContact CG-CB 3.96Å; G198-A202 PolarHBondContact O-N 3Å; V199-A202 WeakPolarHBondContact O-CB 3.35Å; V199-A202 PolarHBondContact O-N 3.06Å; V199-A202 VanDerWaalsContact O-N 3.13Å; Q200-A202 VanDerWaalsContact C-N 3.3Å; Q200-A202 PolarHBondContact O-N 3.02Å; A202-N205 WeakPolarHBondContact O-CB 3.25Å; A202-N205 PolarHBondContact O-N 3.42Å; A202-V206 WeakPolarHBondContact O-CG2 3.37Å; A202-V206 PolarHBondContact O-N 2.92Å |
| 203 | A | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V167 L188 K191 L192 V199 Q200 N205 V206 I207 | V167-A203 HydrophobicContact CG1-CB 4.3Å; L188-A203 HydrophobicContact CD1-CB 4.41Å; K191-A203 HydrophobicContact CB-CB 3.76Å; L192-A203 HydrophobicContact CD2-CB 4.16Å; V199-A203 PolarHBondContact O-N 2.9Å; Q200-A203 PolarHBondContact O-N 3.47Å; A203-N205 VanDerWaalsContact C-N 3.31Å; A203-N205 PolarHBondContact O-N 2.97Å; A203-V206 PolarHBondContact O-N 3.41Å; A203-I207 WeakPolarHBondContact O-CG1 3.39Å; A203-I207 PolarHBondContact O-N 3.21Å |
| 204 | V | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 173.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | L192 Q200 V206 I207 C208 F225 L228 V237 K240 I241 | L192-V204 HydrophobicContact CD2-CG2 3.68Å; Q200-V204 WeakPolarHBondContact O-CG2 3.3Å; Q200-V204 PolarHBondContact O-N 3.36Å; V204-V206 PolarHBondContact O-N 3.35Å; V204-I207 PolarHBondContact O-N 3.43Å; V204-C208 VanDerWaalsContact O-CB 3.32Å; V204-C208 WeakPolarHBondContact O-CB 3.43Å; V204-C208 PolarHBondContact O-N 3.5Å; V204-C208 PolarHBondContact O-SG 3.42Å; V204-F225 HydrophobicContact CG2-CE1 4.41Å; V204-L228 HydrophobicContact CG2-CD1 4.09Å; V204-V237 HydrophobicContact CG1-CG1 4.29Å; V204-V237 HydrophobicContact CG2-CG1 4.24Å; V204-K240 HydrophobicContact CG1-CB 4.38Å; V204-I241 HydrophobicContact CG1-CD1 4.47Å; V204-I241 HydrophobicContact CG1-CG1 3.96Å |
| 205 | N | 94.7 | Very high | 93.4 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.214 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.9 | -52.1 | 180 | -173.1 | 63.8 | 0 | 0 | 0 | 111.8 | S201 A202 A203 I207 C208 E209 K240 | S201-N205 WeakPolarHBondContact O-CB 3.44Å; S201-N205 PolarHBondContact O-N 3.35Å; A202-N205 WeakPolarHBondContact O-CB 3.25Å; A202-N205 PolarHBondContact O-N 3.42Å; A203-N205 VanDerWaalsContact C-N 3.31Å; A203-N205 PolarHBondContact O-N 2.97Å; N205-I207 PolarHBondContact O-N 2.79Å; N205-C208 PolarHBondContact O-N 3.06Å; N205-E209 WeakPolarHBondContact O-CG 3.42Å; N205-E209 PolarHBondContact O-N 3.21Å; N205-K240 HydrophobicContact CB-CD 4.48Å; N205-K240 VanDerWaalsContact OD1-CE 3.22Å; N205-K240 WeakPolarHBondContact OD1-CE 3.25Å; N205-K240 PolarHBondContact OD1-NZ 3.38Å |
| 206 | V | 96.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -46.1 | -179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | V167 L168 Y171 F174 L188 A202 A203 V204 E209 L210 | V167-V206 HydrophobicContact CG1-CG2 3.98Å; V167-V206 WeakPolarHBondContact O-CG2 3.43Å; L168-V206 HydrophobicContact CD2-CG2 4.37Å; Y171-V206 HydrophobicContact CD2-CG1 4.4Å; F174-V206 HydrophobicContact CE2-CG1 4.29Å; L188-V206 HydrophobicContact CD1-CG1 4.42Å; L188-V206 HydrophobicContact CD2-CG1 4.02Å; A202-V206 WeakPolarHBondContact O-CG2 3.37Å; A202-V206 PolarHBondContact O-N 2.92Å; A203-V206 PolarHBondContact O-N 3.41Å; V204-V206 PolarHBondContact O-N 3.35Å; V206-E209 PolarHBondContact O-N 2.89Å; V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 HydrophobicContact CG1-CG 4.41Å; V206-L210 VanDerWaalsContact O-CG 3.31Å; V206-L210 WeakPolarHBondContact O-CG 3.41Å; V206-L210 PolarHBondContact O-N 2.86Å |
| 207 | I | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -41.2 | -179.6 | -65.5 | 166.6 | 0 | 0 | 0 | 111.1 | L188 L192 A203 V204 N205 E209 L210 A211 Y218 L221 F225 | L188-I207 HydrophobicContact CD2-CG1 3.92Å; L188-I207 HydrophobicContact CG-CD1 4.17Å; L188-I207 HydrophobicContact CG-CG1 4.09Å; L192-I207 HydrophobicContact CD1-CD1 3.77Å; L192-I207 HydrophobicContact CD2-CD1 3.82Å; L192-I207 HydrophobicContact CG-CD1 3.82Å; A203-I207 WeakPolarHBondContact O-CG1 3.39Å; A203-I207 PolarHBondContact O-N 3.21Å; V204-I207 PolarHBondContact O-N 3.43Å; N205-I207 PolarHBondContact O-N 2.79Å; I207-E209 VanDerWaalsContact C-N 3.32Å; I207-E209 PolarHBondContact O-N 3.47Å; I207-L210 PolarHBondContact O-N 3.12Å; I207-A211 WeakPolarHBondContact O-CB 3.24Å; I207-A211 PolarHBondContact O-N 2.59Å; I207-Y218 HydrophobicContact CG2-CD1 3.7Å; I207-Y218 HydrophobicContact CG2-CE1 4.11Å; I207-Y218 HydrophobicContact CG2-CG 4.41Å; I207-L221 HydrophobicContact CD1-CD1 4.24Å; I207-L221 HydrophobicContact CG2-CD1 3.83Å; I207-F225 HydrophobicContact CB-CZ 4.21Å; I207-F225 HydrophobicContact CG2-CE2 4.12Å; I207-F225 HydrophobicContact CG2-CZ 3.61Å |
| 208 | C | 93.4 | Very high | 93.1 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | 173.6 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | V204 N205 L210 A211 R212 | V204-C208 VanDerWaalsContact O-CB 3.32Å; V204-C208 WeakPolarHBondContact O-CB 3.43Å; V204-C208 PolarHBondContact O-N 3.5Å; V204-C208 PolarHBondContact O-SG 3.42Å; N205-C208 PolarHBondContact O-N 3.06Å; C208-L210 PolarHBondContact O-N 3.07Å; C208-A211 PolarHBondContact O-N 2.98Å; C208-R212 WeakPolarHBondContact O-CG 3.35Å; C208-R212 PolarHBondContact O-N 3.3Å |
| 209 | E | 93.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 43 Ų | 43 | 17% | 0.168 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.4 | -36.3 | 178.7 | -59 | -42.7 | -138.8 | 0 | 0 | 112.7 | Y171 N205 V206 I207 R212 | Y171-E209 HydrophobicContact CD2-CB 4.07Å; Y171-E209 HydrophobicContact CE2-CB 3.48Å; Y171-E209 VanDerWaalsContact CE2-CB 3.48Å; Y171-E209 HydrophobicContact CE2-CG 4.4Å; N205-E209 WeakPolarHBondContact O-CG 3.42Å; N205-E209 PolarHBondContact O-N 3.21Å; V206-E209 PolarHBondContact O-N 2.89Å; I207-E209 VanDerWaalsContact C-N 3.32Å; I207-E209 PolarHBondContact O-N 3.47Å; E209-R212 IonicContact OE1-CZ 3.04Å; E209-R212 IonicContact OE1-NH1 3.99Å; E209-R212 PolarHBondContact OE1-NH1 3Å; E209-R212 IonicContact OE1-NH2 3.24Å; E209-R212 IonicContact OE2-CZ 2.7Å; E209-R212 IonicContact OE2-NE 2.66Å; E209-R212 PolarHBondContact OE2-NE 3.36Å; E209-R212 IonicContact OE2-NH1 2.85Å; E209-R212 PolarHBondContact OE2-NH1 3.09Å; E209-R212 IonicContact OE2-NH2 3.34Å; E209-R212 PolarHBondContact OE2-NH2 3.14Å |
| 210 | L | 93.5 | Very high | 92.6 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 174.6 | -67 | 171.6 | 0 | 0 | 0 | 111.9 | Y171 F174 L181 L188 V206 I207 C208 R212 K213 N214 Y218 | Y171-L210 HydrophobicContact CD2-CD2 4.09Å; Y171-L210 HydrophobicContact CD2-CG 4.27Å; Y171-L210 HydrophobicContact CE2-CD2 4.18Å; Y171-L210 HydrophobicContact CE2-CG 4.5Å; F174-L210 HydrophobicContact CB-CD2 4.37Å; F174-L210 HydrophobicContact CD2-CD1 3.87Å; F174-L210 HydrophobicContact CD2-CD2 4.18Å; F174-L210 HydrophobicContact CE2-CD1 4.11Å; L181-L210 HydrophobicContact CD1-CD1 3.87Å; L188-L210 HydrophobicContact CD2-CD1 4.37Å; V206-L210 HydrophobicContact CG1-CD1 3.99Å; V206-L210 HydrophobicContact CG1-CG 4.41Å; V206-L210 VanDerWaalsContact O-CG 3.31Å; V206-L210 WeakPolarHBondContact O-CG 3.41Å; V206-L210 PolarHBondContact O-N 2.86Å; I207-L210 PolarHBondContact O-N 3.12Å; C208-L210 PolarHBondContact O-N 3.07Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.72Å; L210-K213 PolarHBondContact O-N 2.87Å; L210-K213 VanDerWaalsContact O-N 3.15Å; L210-N214 PolarHBondContact O-N 3.23Å; L210-Y218 HydrophobicContact CB-CE1 4.36Å; L210-Y218 HydrophobicContact CB-CE2 4.18Å; L210-Y218 VanDerWaalsContact CB-OH 3.28Å; L210-Y218 WeakPolarHBondContact CB-OH 3.22Å |
| 211 | A | 93.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -28.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I207 C208 K213 N214 P215 Y218 L244 | I207-A211 WeakPolarHBondContact O-CB 3.24Å; I207-A211 PolarHBondContact O-N 2.59Å; C208-A211 PolarHBondContact O-N 2.98Å; A211-K213 PolarHBondContact O-N 3.19Å; A211-N214 CarbonylContact O-C 3.41Å; A211-N214 PolarHBondContact O-N 3.04Å; A211-P215 WeakPolarHBondContact O-CA 3.44Å; A211-P215 WeakPolarHBondContact O-CB 3.4Å; A211-P215 VanDerWaalsContact O-CD 3.22Å; A211-P215 WeakPolarHBondContact O-CD 3.27Å; A211-Y218 VanDerWaalsContact CA-CD2 3.48Å; A211-Y218 HydrophobicContact CB-CD2 3.56Å; A211-Y218 HydrophobicContact CB-CE2 4.17Å; A211-Y218 HydrophobicContact CB-CG 3.86Å; A211-L244 HydrophobicContact CB-CD1 3.42Å; A211-L244 VanDerWaalsContact CB-CD1 3.42Å |
| 212 | R | 88.3 | Confident | 92.4 | Very high | 153 Ų | 153 | 45 Ų | 45 | 58% | 0.577 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59.6 | -29 | 171.1 | -78.9 | -164.9 | -83.7 | 113.7 | 126.1 | 113.3 | C208 E209 L210 | C208-R212 WeakPolarHBondContact O-CG 3.35Å; C208-R212 PolarHBondContact O-N 3.3Å; E209-R212 IonicContact OE1-CZ 3.04Å; E209-R212 IonicContact OE1-NH1 3.99Å; E209-R212 PolarHBondContact OE1-NH1 3Å; E209-R212 IonicContact OE1-NH2 3.24Å; E209-R212 IonicContact OE2-CZ 2.7Å; E209-R212 IonicContact OE2-NE 2.66Å; E209-R212 PolarHBondContact OE2-NE 3.36Å; E209-R212 IonicContact OE2-NH1 2.85Å; E209-R212 PolarHBondContact OE2-NH1 3.09Å; E209-R212 IonicContact OE2-NH2 3.34Å; E209-R212 PolarHBondContact OE2-NH2 3.14Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.72Å |
| 213 | K | 87.8 | Confident | 92.2 | Very high | 130 Ų | 130 | 49.2 Ų | 49.2 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -82.5 | -45.6 | 175.2 | -68.1 | -170.6 | 173.2 | -168.6 | 0 | 112.3 | L210 A211 | L210-K213 PolarHBondContact O-N 2.87Å; L210-K213 VanDerWaalsContact O-N 3.15Å; A211-K213 PolarHBondContact O-N 3.19Å |
| 214 | N | 89.3 | Confident | 92 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | trans | -136.1 | 77.1 | -175.8 | -75.1 | -40.6 | 0 | 0 | 0 | 111.4 | L210 A211 K216 N217 Y218 | L210-N214 PolarHBondContact O-N 3.23Å; A211-N214 CarbonylContact O-C 3.41Å; A211-N214 PolarHBondContact O-N 3.04Å; N214-K216 VanDerWaalsContact C-N 3.34Å; N214-K216 PolarHBondContact O-N 3.18Å; N214-N217 PolarHBondContact O-N 3.34Å; N214-Y218 VanDerWaalsContact O-CD2 3.23Å; N214-Y218 WeakPolarHBondContact O-CD2 3.45Å; N214-Y218 WeakPolarHBondContact O-CE2 3.15Å | ||
| 215 | P | 89.3 | Confident | 91.9 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -64.7 | -34.1 | -169.9 | 19.9 | -30.4 | 0 | 0 | 0 | 113.6 | A211 N217 Y218 L248 L251 | A211-P215 WeakPolarHBondContact O-CA 3.44Å; A211-P215 WeakPolarHBondContact O-CB 3.4Å; A211-P215 VanDerWaalsContact O-CD 3.22Å; A211-P215 WeakPolarHBondContact O-CD 3.27Å; P215-N217 PolarHBondContact O-N 2.88Å; P215-N217 VanDerWaalsContact O-N 3.17Å; P215-Y218 PolarHBondContact O-N 2.85Å; P215-Y218 VanDerWaalsContact O-N 3.11Å; P215-L248 HydrophobicContact CB-CD2 3.91Å; P215-L248 VanDerWaalsContact O-CD2 3.3Å; P215-L248 WeakPolarHBondContact O-CD2 2.82Å; P215-L251 HydrophobicContact CB-CD1 3.81Å; P215-L251 HydrophobicContact CG-CD1 3.93Å |
| 216 | K | 90.3 | Very high | 91.8 | Very high | 149 Ų | 149 | 50.9 Ų | 50.9 | 65% | 0.648 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -54.1 | -37.5 | -179.6 | -68.6 | 179.3 | 179.4 | 180 | 0 | 113.2 | N214 Y218 L219 L251 | N214-K216 VanDerWaalsContact C-N 3.34Å; N214-K216 PolarHBondContact O-N 3.18Å; K216-Y218 PolarHBondContact O-N 3.33Å; K216-L219 PolarHBondContact O-N 3.23Å; K216-L251 HydrophobicContact CB-CD1 4.43Å; K216-L251 HydrophobicContact CG-CD1 3.65Å; K216-L251 HydrophobicContact CG-CD2 4.07Å; K216-L251 HydrophobicContact CG-CG 4.45Å |
| 217 | N | 90.3 | Very high | 91.6 | Very high | 109 Ų | 109 | 56.2 Ų | 56.2 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -69.2 | -19 | -175.3 | -66 | -10.4 | 0 | 0 | 0 | 113.3 | N214 P215 | N214-N217 PolarHBondContact O-N 3.34Å; P215-N217 PolarHBondContact O-N 2.88Å; P215-N217 VanDerWaalsContact O-N 3.17Å |
| 218 | Y | 92.3 | Very high | 91.4 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -106.5 | 4.1 | -174.2 | -57.9 | -85.9 | 0 | 0 | 0 | 113.1 | F185 I207 L210 A211 N214 P215 K216 S220 L221 | F185-Y218 HydrophobicContact CD2-CE1 4.46Å; F185-Y218 HydrophobicContact CE2-CD1 4.02Å; F185-Y218 AromaticContact CE2-CE1 3.53Å; F185-Y218 HydrophobicContact CE2-CE1 3.53Å; F185-Y218 AromaticContact CZ-CD1 4Å; F185-Y218 HydrophobicContact CZ-CD1 4Å; F185-Y218 AromaticContact CZ-CE1 3.9Å; F185-Y218 HydrophobicContact CZ-CE1 3.9Å; I207-Y218 HydrophobicContact CG2-CD1 3.7Å; I207-Y218 HydrophobicContact CG2-CE1 4.11Å; I207-Y218 HydrophobicContact CG2-CG 4.41Å; L210-Y218 HydrophobicContact CB-CE1 4.36Å; L210-Y218 HydrophobicContact CB-CE2 4.18Å; L210-Y218 VanDerWaalsContact CB-OH 3.28Å; L210-Y218 WeakPolarHBondContact CB-OH 3.22Å; A211-Y218 VanDerWaalsContact CA-CD2 3.48Å; A211-Y218 HydrophobicContact CB-CD2 3.56Å; A211-Y218 HydrophobicContact CB-CE2 4.17Å; A211-Y218 HydrophobicContact CB-CG 3.86Å; N214-Y218 VanDerWaalsContact O-CD2 3.23Å; N214-Y218 WeakPolarHBondContact O-CD2 3.45Å; N214-Y218 WeakPolarHBondContact O-CE2 3.15Å; P215-Y218 PolarHBondContact O-N 2.85Å; P215-Y218 VanDerWaalsContact O-N 3.11Å; K216-Y218 PolarHBondContact O-N 3.33Å; Y218-S220 PolarHBondContact O-N 2.94Å; Y218-L221 HydrophobicContact CD1-CD1 4.01Å; Y218-L221 WeakPolarHBondContact O-CB 3.31Å; Y218-L221 PolarHBondContact O-N 3.07Å |
| 219 | L | 89.3 | Confident | 91.2 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 26% | 0.262 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -56.1 | -34.4 | 176.4 | -78 | 170 | 0 | 0 | 0 | 112.5 | K216 L221 S222 L248 L251 E252 | K216-L219 PolarHBondContact O-N 3.23Å; L219-L221 PolarHBondContact O-N 3.35Å; L219-S222 VanDerWaalsContact O-CB 3.25Å; L219-S222 WeakPolarHBondContact O-CB 3.33Å; L219-S222 PolarHBondContact O-N 3.45Å; L219-S222 PolarHBondContact O-OG 2.95Å; L219-L248 HydrophobicContact CD2-CB 4.16Å; L219-L248 HydrophobicContact CD2-CD2 3.9Å; L219-L248 HydrophobicContact CD2-CG 4.43Å; L219-L248 HydrophobicContact CG-CD2 4.28Å; L219-L251 HydrophobicContact CD1-CB 4.34Å; L219-E252 HydrophobicContact CD2-CB 4.06Å |
| 220 | S | 90.5 | Very high | 91 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 63% | 0.629 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -63.8 | -19.3 | 177.6 | 61.5 | 0 | 0 | 0 | 0 | 113.8 | Y218 | Y218-S220 PolarHBondContact O-N 2.94Š|
| 221 | L | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -87.2 | -7 | 176.3 | -58.8 | -176.8 | 0 | 0 | 0 | 113.3 | F185 K189 L192 I207 Y218 L219 P223 I224 F225 | F185-L221 HydrophobicContact CE2-CD1 4.48Å; F185-L221 HydrophobicContact CZ-CD1 3.94Å; F185-L221 HydrophobicContact CZ-CG 4.49Å; K189-L221 HydrophobicContact CD-CD2 3.84Å; K189-L221 HydrophobicContact CG-CD2 3.87Å; L192-L221 HydrophobicContact CD1-CD1 4.41Å; I207-L221 HydrophobicContact CD1-CD1 4.24Å; I207-L221 HydrophobicContact CG2-CD1 3.83Å; Y218-L221 HydrophobicContact CD1-CD1 4.01Å; Y218-L221 WeakPolarHBondContact O-CB 3.31Å; Y218-L221 PolarHBondContact O-N 3.07Å; L219-L221 PolarHBondContact O-N 3.35Å; L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 VanDerWaalsContact C-N 3.32Å; L221-I224 HydrophobicContact CD2-CD1 4.07Å; L221-I224 WeakPolarHBondContact O-CB 3.44Å; L221-I224 PolarHBondContact O-N 3.43Å; L221-F225 HydrophobicContact CB-CD2 3.78Å; L221-F225 HydrophobicContact CB-CE2 3.48Å; L221-F225 VanDerWaalsContact CB-CE2 3.48Å; L221-F225 HydrophobicContact CB-CZ 4.4Å; L221-F225 HydrophobicContact CD1-CE2 3.91Å; L221-F225 HydrophobicContact CD1-CZ 4.22Å; L221-F225 HydrophobicContact CG-CE2 4.38Å; L221-F225 WeakPolarHBondContact O-CD2 3.19Å; L221-F225 PolarHBondContact O-N 2.9Å |
| 222 | S | 91.7 | Very high | 90.5 | Very high | 14 Ų | 14 | 64.5 Ų | 64.5 | 10% | 0.098 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -51.2 | -40.5 | -177.8 | -55 | 0 | 0 | 0 | 0 | 114.1 | L219 I224 F225 F226 | L219-S222 VanDerWaalsContact O-CB 3.25Å; L219-S222 WeakPolarHBondContact O-CB 3.33Å; L219-S222 PolarHBondContact O-N 3.45Å; L219-S222 PolarHBondContact O-OG 2.95Å; S222-I224 VanDerWaalsContact C-N 3.34Å; S222-I224 PolarHBondContact O-N 3.36Å; S222-F225 PolarHBondContact O-N 2.86Å; S222-F226 VanDerWaalsContact O-CB 3.3Å; S222-F226 WeakPolarHBondContact O-CB 3.44Å; S222-F226 PolarHBondContact O-N 3.27Å |
| 223 | P | 91.3 | Very high | 90.4 | Very high | 94 Ų | 94 | 62.7 Ų | 62.7 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.4 | -37.2 | 175.8 | -23.6 | 35.3 | 0 | 0 | 0 | 113.8 | L221 F226 K227 | L221-P223 VanDerWaalsContact C-CD 3.41Å; L221-P223 VanDerWaalsContact C-N 3.32Å; P223-F226 PolarHBondContact O-N 3.17Å; P223-K227 PolarHBondContact O-N 3.32Å; P223-K227 VanDerWaalsContact O-N 3.07Å |
| 224 | I | 93.1 | Very high | 90.5 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 17% | 0.174 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.2 | -47.6 | 178.7 | -59.4 | 170.4 | 0 | 0 | 0 | 109.2 | K189 L192 L221 S222 F226 K227 L228 | K189-I224 HydrophobicContact CG-CD1 4.43Å; L192-I224 HydrophobicContact CB-CG2 4.07Å; L192-I224 HydrophobicContact CD1-CG2 3.91Å; L221-I224 HydrophobicContact CD2-CD1 4.07Å; L221-I224 WeakPolarHBondContact O-CB 3.44Å; L221-I224 PolarHBondContact O-N 3.43Å; S222-I224 VanDerWaalsContact C-N 3.34Å; S222-I224 PolarHBondContact O-N 3.36Å; I224-F226 VanDerWaalsContact C-N 3.27Å; I224-F226 PolarHBondContact O-N 3.45Å; I224-K227 PolarHBondContact O-N 2.82Å; I224-L228 HydrophobicContact CG2-CD1 4.26Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.41Å |
| 225 | F | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -35 | 175.8 | -70.4 | -53.5 | 0 | 0 | 0 | 112.8 | L192 V204 I207 L221 S222 L228 M229 I241 L244 F245 | L192-F225 HydrophobicContact CD1-CE1 4.38Å; L192-F225 HydrophobicContact CD1-CZ 4.32Å; L192-F225 HydrophobicContact CD2-CE1 4.03Å; L192-F225 HydrophobicContact CD2-CZ 4.5Å; V204-F225 HydrophobicContact CG2-CE1 4.41Å; I207-F225 HydrophobicContact CB-CZ 4.21Å; I207-F225 HydrophobicContact CG2-CE2 4.12Å; I207-F225 HydrophobicContact CG2-CZ 3.61Å; L221-F225 HydrophobicContact CB-CD2 3.78Å; L221-F225 HydrophobicContact CB-CE2 3.48Å; L221-F225 VanDerWaalsContact CB-CE2 3.48Å; L221-F225 HydrophobicContact CB-CZ 4.4Å; L221-F225 HydrophobicContact CD1-CE2 3.91Å; L221-F225 HydrophobicContact CD1-CZ 4.22Å; L221-F225 HydrophobicContact CG-CE2 4.38Å; L221-F225 WeakPolarHBondContact O-CD2 3.19Å; L221-F225 PolarHBondContact O-N 2.9Å; S222-F225 PolarHBondContact O-N 2.86Å; F225-L228 HydrophobicContact CD1-CD1 4.33Å; F225-L228 PolarHBondContact O-N 3.05Å; F225-M229 WeakPolarHBondContact O-CB 3.37Å; F225-M229 PolarHBondContact O-N 3.25Å; F225-I241 HydrophobicContact CB-CG2 4.05Å; F225-I241 HydrophobicContact CD1-CD1 4.24Å; F225-I241 HydrophobicContact CD1-CG1 3.98Å; F225-L244 HydrophobicContact CD2-CD2 3.78Å; F225-L244 HydrophobicContact CE1-CD2 4.4Å; F225-L244 HydrophobicContact CE2-CD2 3.55Å; F225-L244 HydrophobicContact CG-CD2 4.3Å; F225-L244 HydrophobicContact CZ-CD2 3.91Å; F225-F245 HydrophobicContact CB-CE1 4.2Å; F225-F245 HydrophobicContact CB-CE2 4.23Å; F225-F245 HydrophobicContact CB-CZ 3.64Å |
| 226 | F | 92.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 18% | 0.18 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.9 | -172.1 | -87.8 | 0 | 0 | 0 | 111 | S222 P223 I224 M229 T230 F245 K258 L259 P262 | S222-F226 VanDerWaalsContact O-CB 3.3Å; S222-F226 WeakPolarHBondContact O-CB 3.44Å; S222-F226 PolarHBondContact O-N 3.27Å; P223-F226 PolarHBondContact O-N 3.17Å; I224-F226 VanDerWaalsContact C-N 3.27Å; I224-F226 PolarHBondContact O-N 3.45Å; F226-M229 HydrophobicContact CD2-CE 3.91Å; F226-M229 HydrophobicContact CE2-CE 3.98Å; F226-M229 PolarHBondContact O-N 2.87Å; F226-T230 HydrophobicContact CE1-CG2 4.21Å; F226-T230 PolarHBondContact O-N 2.94Å; F226-T230 PolarHBondContact O-OG1 3.22Å; F226-F245 HydrophobicContact CB-CZ 4.12Å; F226-K258 HydrophobicContact CE2-CD 4.42Å; F226-K258 HydrophobicContact CE2-CG 4.14Å; F226-K258 HydrophobicContact CZ-CG 4.29Å; F226-L259 HydrophobicContact CD2-CD2 3.87Å; F226-L259 HydrophobicContact CE2-CD2 4.01Å; F226-P262 HydrophobicContact CE2-CG 4.03Å; F226-P262 HydrophobicContact CZ-CG 3.84Å |
| 227 | K | 92.2 | Very high | 90.9 | Very high | 112 Ų | 112 | 57.6 Ų | 57.6 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.2 | -179.6 | -170.7 | 171.3 | -158.3 | 0 | 111.6 | D193 P223 I224 T230 T231 | D193-K227 IonicContact OD1-NZ 2.63Å; P223-K227 PolarHBondContact O-N 3.32Å; P223-K227 VanDerWaalsContact O-N 3.07Å; I224-K227 PolarHBondContact O-N 2.82Å; K227-T230 PolarHBondContact O-N 3.21Å; K227-T230 PolarHBondContact O-OG1 2.69Å; K227-T230 VanDerWaalsContact O-OG1 3.09Å; K227-T231 VanDerWaalsContact O-CB 3.24Å; K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 PolarHBondContact O-N 3.32Å; K227-T231 PolarHBondContact O-OG1 3.48Å |
| 228 | L | 91.5 | Very high | 91.1 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65 | -39.3 | 177.6 | -72.3 | 173.9 | 0 | 0 | 0 | 112.1 | L192 Q200 V204 I224 F225 T230 T231 S232 I241 | L192-L228 HydrophobicContact CD2-CD1 4.36Å; Q200-L228 HydrophobicContact CG-CD2 4.49Å; V204-L228 HydrophobicContact CG2-CD1 4.09Å; I224-L228 HydrophobicContact CG2-CD1 4.26Å; I224-L228 WeakPolarHBondContact O-CG 3.45Å; I224-L228 PolarHBondContact O-N 3.41Å; F225-L228 HydrophobicContact CD1-CD1 4.33Å; F225-L228 PolarHBondContact O-N 3.05Å; L228-T230 VanDerWaalsContact C-N 3.28Å; L228-T230 PolarHBondContact O-N 3.15Å; L228-T231 PolarHBondContact O-N 2.86Å; L228-S232 WeakPolarHBondContact O-CB 3.4Å; L228-S232 PolarHBondContact O-N 2.97Å; L228-I241 HydrophobicContact CB-CD1 3.63Å; L228-I241 HydrophobicContact CD1-CD1 4.4Å |
| 229 | M | 88.9 | Confident | 91.2 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.2 | -172.2 | -176.8 | 65.3 | 0 | 0 | 112.5 | F225 F226 L238 I241 I242 F245 L259 P262 L263 L266 | F225-M229 WeakPolarHBondContact O-CB 3.37Å; F225-M229 PolarHBondContact O-N 3.25Å; F226-M229 HydrophobicContact CD2-CE 3.91Å; F226-M229 HydrophobicContact CE2-CE 3.98Å; F226-M229 PolarHBondContact O-N 2.87Å; M229-L238 HydrophobicContact CG-CD2 4.32Å; M229-L238 VanDerWaalsContact O-CD2 3.27Å; M229-L238 WeakPolarHBondContact O-CD2 3.22Å; M229-I241 HydrophobicContact CB-CG2 4.03Å; M229-I241 HydrophobicContact CG-CG2 4.47Å; M229-I242 HydrophobicContact CG-CG1 4.44Å; M229-I242 HydrophobicContact SD-CG1 4.08Å; M229-F245 HydrophobicContact CB-CE2 4.42Å; M229-F245 HydrophobicContact CE-CE2 4.27Å; M229-F245 HydrophobicContact SD-CD2 3.91Å; M229-F245 HydrophobicContact SD-CE2 3.84Å; M229-L259 HydrophobicContact CE-CD2 3.64Å; M229-L259 HydrophobicContact SD-CD2 4.2Å; M229-P262 HydrophobicContact CE-CB 3.93Å; M229-L263 HydrophobicContact SD-CD2 4.36Å; M229-L266 HydrophobicContact CG-CD1 4.38Å |
| 230 | T | 88.1 | Confident | 91.4 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 53% | 0.534 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -89.1 | -21.5 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 113.9 | F226 K227 L228 | F226-T230 HydrophobicContact CE1-CG2 4.21Å; F226-T230 PolarHBondContact O-N 2.94Å; F226-T230 PolarHBondContact O-OG1 3.22Å; K227-T230 PolarHBondContact O-N 3.21Å; K227-T230 PolarHBondContact O-OG1 2.69Å; K227-T230 VanDerWaalsContact O-OG1 3.09Å; L228-T230 VanDerWaalsContact C-N 3.28Å; L228-T230 PolarHBondContact O-N 3.15Å |
| 231 | T | 88 | Confident | 91.6 | Very high | 104 Ų | 104 | 49.2 Ų | 49.2 | 64% | 0.638 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -102.6 | -30.5 | -173.7 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | K227 L228 | K227-T231 VanDerWaalsContact O-CB 3.24Å; K227-T231 WeakPolarHBondContact O-CB 3.32Å; K227-T231 PolarHBondContact O-N 3.32Å; K227-T231 PolarHBondContact O-OG1 3.48Å; L228-T231 PolarHBondContact O-N 2.86Å |
| 232 | S | 88.2 | Confident | 91.7 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -80.1 | 139.5 | -175.3 | -166.9 | 0 | 0 | 0 | 0 | 112.1 | L228 N234 | L228-S232 WeakPolarHBondContact O-CB 3.4Å; L228-S232 PolarHBondContact O-N 2.97Å; S232-N234 PolarHBondContact OG-N 3.45Å | ||
| 233 | S | 86.2 | Confident | 91.8 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 81% | 0.811 | 28% | 0.281 | S | S | * | . | trans | -94.8 | -1.2 | 170.1 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | N235 | S233-N235 PolarHBondContact O-N 3.26Š| ||
| 234 | N | 90.2 | Very high | 91.9 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 29% | 0.289 | 25% | 0.254 | S | S | . | . | trans | -83.6 | 102.3 | -176.4 | -175.8 | -21.1 | 0 | 0 | 0 | 111 | S232 W236 V237 L238 | S232-N234 PolarHBondContact OG-N 3.45Å; N234-W236 PolarHBondContact O-N 3.39Å; N234-W236 VanDerWaalsContact O-N 3.09Å; N234-W236 WeakPolarHBondContact OD1-CB 3.22Å; N234-W236 PolarHBondContact OD1-N 3.3Å; N234-V237 HydrophobicContact CB-CB 4.12Å; N234-V237 HydrophobicContact CB-CG2 4.07Å; N234-V237 PolarHBondContact O-N 2.97Å; N234-V237 PolarHBondContact OD1-N 3.45Å; N234-L238 WeakPolarHBondContact O-CG 3.35Å; N234-L238 PolarHBondContact O-N 3.24Å | ||
| 235 | N | 92.8 | Very high | 91.9 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -49.6 | -37.3 | 179.5 | -67.9 | -24.8 | 0 | 0 | 0 | 113.7 | S233 L238 I239 A272 L275 | S233-N235 PolarHBondContact O-N 3.26Å; N235-L238 PolarHBondContact O-N 3.27Å; N235-I239 WeakPolarHBondContact O-CB 3.34Å; N235-I239 WeakPolarHBondContact O-CD1 3.16Å; N235-I239 WeakPolarHBondContact O-CG1 3.25Å; N235-I239 PolarHBondContact O-N 3.28Å; N235-A272 WeakPolarHBondContact ND2-CB 3.31Å; N235-L275 WeakPolarHBondContact OD1-CD2 3.08Å |
| 236 | W | 90.8 | Very high | 91.7 | Very high | 186 Ų | 186 | 48.8 Ų | 48.8 | 71% | 0.705 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -68.6 | -40.7 | -179.9 | -64.8 | 97.4 | 0 | 0 | 0 | 112.7 | N234 K240 | N234-W236 PolarHBondContact O-N 3.39Å; N234-W236 VanDerWaalsContact O-N 3.09Å; N234-W236 WeakPolarHBondContact OD1-CB 3.22Å; N234-W236 PolarHBondContact OD1-N 3.3Å; W236-K240 WeakPolarHBondContact O-CG 3.4Å; W236-K240 PolarHBondContact O-N 2.91Å; W236-K240 VanDerWaalsContact O-N 3.15Å |
| 237 | V | 93.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.3 | -44.5 | 175 | 172 | 0 | 0 | 0 | 0 | 109.5 | V204 N234 K240 I241 | V204-V237 HydrophobicContact CG1-CG1 4.29Å; V204-V237 HydrophobicContact CG2-CG1 4.24Å; N234-V237 HydrophobicContact CB-CB 4.12Å; N234-V237 HydrophobicContact CB-CG2 4.07Å; N234-V237 PolarHBondContact O-N 2.97Å; N234-V237 PolarHBondContact OD1-N 3.45Å; V237-K240 PolarHBondContact O-N 3.3Å; V237-I241 HydrophobicContact CG1-CD1 3.66Å; V237-I241 HydrophobicContact CG1-CG1 4.36Å; V237-I241 WeakPolarHBondContact O-CG1 3.37Å; V237-I241 PolarHBondContact O-N 3.21Å |
| 238 | L | 94.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.4 | -49.6 | 176.3 | -64.9 | -179.9 | 0 | 0 | 0 | 111.7 | M229 N234 N235 K240 I241 I242 L275 | M229-L238 HydrophobicContact CG-CD2 4.32Å; M229-L238 VanDerWaalsContact O-CD2 3.27Å; M229-L238 WeakPolarHBondContact O-CD2 3.22Å; N234-L238 WeakPolarHBondContact O-CG 3.35Å; N234-L238 PolarHBondContact O-N 3.24Å; N235-L238 PolarHBondContact O-N 3.27Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 2.73Å; L238-I241 PolarHBondContact O-N 3.16Å; L238-I242 HydrophobicContact CB-CD1 4.41Å; L238-I242 VanDerWaalsContact O-CB 3.31Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CD1 3.16Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 3.02Å; L238-L275 HydrophobicContact CB-CD1 3.75Å; L238-L275 HydrophobicContact CB-CD2 4.46Å; L238-L275 HydrophobicContact CD1-CD2 3.86Å |
| 239 | I | 95 | Very high | 91.3 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 176.7 | -72.7 | 164.1 | 0 | 0 | 0 | 111 | N235 I242 K243 L275 E278 | N235-I239 WeakPolarHBondContact O-CB 3.34Å; N235-I239 WeakPolarHBondContact O-CD1 3.16Å; N235-I239 WeakPolarHBondContact O-CG1 3.25Å; N235-I239 PolarHBondContact O-N 3.28Å; I239-I242 PolarHBondContact O-N 3.09Å; I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CB 3.32Å; I239-K243 WeakPolarHBondContact O-CG 3.47Å; I239-K243 PolarHBondContact O-N 3.27Å; I239-L275 HydrophobicContact CD1-CB 4.42Å; I239-L275 HydrophobicContact CG1-CB 4.24Å; I239-L275 HydrophobicContact CG1-CD1 3.89Å; I239-E278 HydrophobicContact CG1-CB 4.38Å; I239-E278 HydrophobicContact CG2-CB 4.43Å; I239-E278 HydrophobicContact CG2-CG 4.13Å |
| 240 | K | 93.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 26% | 0.261 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 179.6 | -74 | 177.6 | -176.5 | -74 | 0 | 112.4 | V204 N205 W236 V237 L238 K243 L244 | V204-K240 HydrophobicContact CG1-CB 4.38Å; N205-K240 HydrophobicContact CB-CD 4.48Å; N205-K240 VanDerWaalsContact OD1-CE 3.22Å; N205-K240 WeakPolarHBondContact OD1-CE 3.25Å; N205-K240 PolarHBondContact OD1-NZ 3.38Å; W236-K240 WeakPolarHBondContact O-CG 3.4Å; W236-K240 PolarHBondContact O-N 2.91Å; W236-K240 VanDerWaalsContact O-N 3.15Å; V237-K240 PolarHBondContact O-N 3.3Å; L238-K240 VanDerWaalsContact C-N 3.31Å; L238-K240 PolarHBondContact O-N 2.73Å; K240-K243 PolarHBondContact O-N 3.27Å; K240-L244 WeakPolarHBondContact O-CB 3.3Å; K240-L244 PolarHBondContact O-N 2.91Å |
| 241 | I | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 177.7 | -70.1 | 172.3 | 0 | 0 | 0 | 110.8 | V204 F225 L228 M229 V237 L238 L244 F245 | V204-I241 HydrophobicContact CG1-CD1 4.47Å; V204-I241 HydrophobicContact CG1-CG1 3.96Å; F225-I241 HydrophobicContact CB-CG2 4.05Å; F225-I241 HydrophobicContact CD1-CD1 4.24Å; F225-I241 HydrophobicContact CD1-CG1 3.98Å; L228-I241 HydrophobicContact CB-CD1 3.63Å; L228-I241 HydrophobicContact CD1-CD1 4.4Å; M229-I241 HydrophobicContact CB-CG2 4.03Å; M229-I241 HydrophobicContact CG-CG2 4.47Å; V237-I241 HydrophobicContact CG1-CD1 3.66Å; V237-I241 HydrophobicContact CG1-CG1 4.36Å; V237-I241 WeakPolarHBondContact O-CG1 3.37Å; V237-I241 PolarHBondContact O-N 3.21Å; L238-I241 PolarHBondContact O-N 3.16Å; I241-L244 WeakPolarHBondContact O-CB 3.11Å; I241-L244 PolarHBondContact O-N 3.36Å; I241-F245 HydrophobicContact CG2-CD2 3.64Å; I241-F245 HydrophobicContact CG2-CE2 3.4Å; I241-F245 HydrophobicContact CG2-CZ 4.26Å; I241-F245 WeakPolarHBondContact O-CD2 3.42Å; I241-F245 PolarHBondContact O-N 2.76Å |
| 242 | I | 94.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -44.3 | 179.3 | -69 | 168.1 | 0 | 0 | 0 | 110.3 | M229 L238 I239 L244 F245 G246 L263 L266 L275 E278 C279 T282 | M229-I242 HydrophobicContact CG-CG1 4.44Å; M229-I242 HydrophobicContact SD-CG1 4.08Å; L238-I242 HydrophobicContact CB-CD1 4.41Å; L238-I242 VanDerWaalsContact O-CB 3.31Å; L238-I242 WeakPolarHBondContact O-CB 3.42Å; L238-I242 WeakPolarHBondContact O-CD1 3.16Å; L238-I242 WeakPolarHBondContact O-CG1 3.4Å; L238-I242 PolarHBondContact O-N 3.02Å; I239-I242 PolarHBondContact O-N 3.09Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.24Å; I242-F245 PolarHBondContact O-N 3.29Å; I242-F245 VanDerWaalsContact O-N 3.15Å; I242-G246 PolarHBondContact O-N 3.44Å; I242-L263 HydrophobicContact CD1-CD2 4.08Å; I242-L263 HydrophobicContact CG1-CD2 4Å; I242-L263 HydrophobicContact CG2-CD2 4.12Å; I242-L266 HydrophobicContact CD1-CD1 4.39Å; I242-L275 HydrophobicContact CD1-CD1 3.68Å; I242-E278 HydrophobicContact CB-CG 4.41Å; I242-E278 HydrophobicContact CG2-CG 3.96Å; I242-C279 VanDerWaalsContact CD1-SG 3.57Å; I242-T282 HydrophobicContact CG2-CG2 3.89Å; I242-T282 WeakPolarHBondContact CG2-OG1 3.48Å |
| 243 | K | 93.4 | Very high | 91 | Very high | 110 Ų | 110 | 47 Ų | 47 | 48% | 0.478 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -55 | -47.5 | 170.6 | -79.3 | -179.4 | 178.1 | -172.2 | 0 | 112.1 | I239 K240 F245 G246 T247 E278 | I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CB 3.32Å; I239-K243 WeakPolarHBondContact O-CG 3.47Å; I239-K243 PolarHBondContact O-N 3.27Å; K240-K243 PolarHBondContact O-N 3.27Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 2.83Å; K243-G246 PolarHBondContact O-N 3.36Å; K243-T247 PolarHBondContact O-N 3.37Å; K243-T247 VanDerWaalsContact O-N 3.16Å; K243-E278 WeakPolarHBondContact CE-OE2 3.26Å; K243-E278 HydrophobicContact CG-CG 3.89Å; K243-E278 WeakPolarHBondContact CG-OE1 3.32Å; K243-E278 IonicContact NZ-OE2 2.96Å |
| 244 | L | 93 | Very high | 90.9 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 177 | 175.6 | 61 | 0 | 0 | 0 | 110.6 | A211 F225 K240 I241 I242 G246 T247 L248 | A211-L244 HydrophobicContact CB-CD1 3.42Å; A211-L244 VanDerWaalsContact CB-CD1 3.42Å; F225-L244 HydrophobicContact CD2-CD2 3.78Å; F225-L244 HydrophobicContact CE1-CD2 4.4Å; F225-L244 HydrophobicContact CE2-CD2 3.55Å; F225-L244 HydrophobicContact CG-CD2 4.3Å; F225-L244 HydrophobicContact CZ-CD2 3.91Å; K240-L244 WeakPolarHBondContact O-CB 3.3Å; K240-L244 PolarHBondContact O-N 2.91Å; I241-L244 WeakPolarHBondContact O-CB 3.11Å; I241-L244 PolarHBondContact O-N 3.36Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 3.24Å; L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 3Å; L244-T247 CarbonylContact O-C 3.51Å; L244-T247 WeakPolarHBondContact O-CA 3.43Å; L244-T247 PolarHBondContact O-N 3.04Å; L244-T247 PolarHBondContact O-OG1 2.96Å; L244-L248 HydrophobicContact CD1-CD1 4.08Å; L244-L248 HydrophobicContact CD1-CD2 4.36Å; L244-L248 HydrophobicContact CD1-CG 4Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 3.86Å; L244-L248 HydrophobicContact CG-CG 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.41Å; L244-L248 PolarHBondContact O-N 3.35Å |
| 245 | F | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -35.6 | 176.2 | -79.1 | -41.3 | 0 | 0 | 0 | 113.6 | F225 F226 M229 I241 I242 K243 T247 L248 T249 L255 L259 | F225-F245 HydrophobicContact CB-CE1 4.2Å; F225-F245 HydrophobicContact CB-CE2 4.23Å; F225-F245 HydrophobicContact CB-CZ 3.64Å; F226-F245 HydrophobicContact CB-CZ 4.12Å; M229-F245 HydrophobicContact CB-CE2 4.42Å; M229-F245 HydrophobicContact CE-CE2 4.27Å; M229-F245 HydrophobicContact SD-CD2 3.91Å; M229-F245 HydrophobicContact SD-CE2 3.84Å; I241-F245 HydrophobicContact CG2-CD2 3.64Å; I241-F245 HydrophobicContact CG2-CE2 3.4Å; I241-F245 HydrophobicContact CG2-CZ 4.26Å; I241-F245 WeakPolarHBondContact O-CD2 3.42Å; I241-F245 PolarHBondContact O-N 2.76Å; I242-F245 PolarHBondContact O-N 3.29Å; I242-F245 VanDerWaalsContact O-N 3.15Å; K243-F245 VanDerWaalsContact C-N 3.34Å; K243-F245 PolarHBondContact O-N 2.83Å; F245-T247 VanDerWaalsContact C-N 3.27Å; F245-T247 PolarHBondContact O-N 2.96Å; F245-L248 HydrophobicContact CD1-CD1 4.3Å; F245-L248 PolarHBondContact O-N 2.77Å; F245-T249 WeakPolarHBondContact O-CB 3.21Å; F245-T249 PolarHBondContact O-N 3.45Å; F245-T249 PolarHBondContact O-OG1 3.4Å; F245-L255 HydrophobicContact CD1-CD1 4.45Å; F245-L255 HydrophobicContact CD1-CD2 3.72Å; F245-L255 HydrophobicContact CD1-CG 4.35Å; F245-L255 HydrophobicContact CE1-CD1 4.15Å; F245-L255 HydrophobicContact CE1-CD2 3.95Å; F245-L255 HydrophobicContact CE1-CG 4.5Å; F245-L259 HydrophobicContact CB-CD1 3.64Å; F245-L259 HydrophobicContact CD1-CD1 4.06Å; F245-L259 HydrophobicContact CD2-CD1 4.25Å; F245-L259 HydrophobicContact CD2-CD2 3.79Å; F245-L259 HydrophobicContact CE2-CD2 3.93Å; F245-L259 HydrophobicContact CG-CD1 3.75Å; F245-L259 HydrophobicContact CG-CD2 4.11Å; F245-L259 HydrophobicContact CZ-CD2 4.37Å |
| 246 | G | 90.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.4 | -39.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I242 K243 L244 P250 | I242-G246 PolarHBondContact O-N 3.44Å; K243-G246 PolarHBondContact O-N 3.36Å; L244-G246 VanDerWaalsContact C-N 3.29Å; L244-G246 PolarHBondContact O-N 3Å; G246-P250 WeakPolarHBondContact O-CD 3.48Å |
| 247 | T | 90.2 | Very high | 90 | Very high | 60 Ų | 60 | 43.1 Ų | 43.1 | 37% | 0.368 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -78 | -27.7 | 176.3 | 64.8 | 0 | 0 | 0 | 0 | 114.4 | K243 L244 F245 | K243-T247 PolarHBondContact O-N 3.37Å; K243-T247 VanDerWaalsContact O-N 3.16Å; L244-T247 CarbonylContact O-C 3.51Å; L244-T247 WeakPolarHBondContact O-CA 3.43Å; L244-T247 PolarHBondContact O-N 3.04Å; L244-T247 PolarHBondContact O-OG1 2.96Å; F245-T247 VanDerWaalsContact C-N 3.27Å; F245-T247 PolarHBondContact O-N 2.96Å |
| 248 | L | 90.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -82.2 | -29.6 | 179.6 | -66.1 | 178.4 | 0 | 0 | 0 | 112.7 | P215 L219 L244 F245 L251 E252 L255 | P215-L248 HydrophobicContact CB-CD2 3.91Å; P215-L248 VanDerWaalsContact O-CD2 3.3Å; P215-L248 WeakPolarHBondContact O-CD2 2.82Å; L219-L248 HydrophobicContact CD2-CB 4.16Å; L219-L248 HydrophobicContact CD2-CD2 3.9Å; L219-L248 HydrophobicContact CD2-CG 4.43Å; L219-L248 HydrophobicContact CG-CD2 4.28Å; L244-L248 HydrophobicContact CD1-CD1 4.08Å; L244-L248 HydrophobicContact CD1-CD2 4.36Å; L244-L248 HydrophobicContact CD1-CG 4Å; L244-L248 HydrophobicContact CD2-CD1 4.41Å; L244-L248 HydrophobicContact CG-CD1 3.86Å; L244-L248 HydrophobicContact CG-CG 4.2Å; L244-L248 WeakPolarHBondContact O-CG 3.41Å; L244-L248 PolarHBondContact O-N 3.35Å; F245-L248 HydrophobicContact CD1-CD1 4.3Å; F245-L248 PolarHBondContact O-N 2.77Å; L248-L251 WeakPolarHBondContact O-CB 3.39Å; L248-L251 PolarHBondContact O-N 2.86Å; L248-E252 PolarHBondContact O-N 3.2Å; L248-E252 VanDerWaalsContact O-N 3.11Å; L248-L255 HydrophobicContact CB-CD2 4.26Å |
| 249 | T | 88.5 | Confident | 89.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -43.1 | -175.5 | -61 | 0 | 0 | 0 | 0 | 113.8 | F245 L251 E252 V286 S289 | F245-T249 WeakPolarHBondContact O-CB 3.21Å; F245-T249 PolarHBondContact O-N 3.45Å; F245-T249 PolarHBondContact O-OG1 3.4Å; T249-L251 PolarHBondContact O-N 3.21Å; T249-L251 VanDerWaalsContact O-N 3.12Å; T249-E252 CarbonylContact O-C 3.47Å; T249-E252 PolarHBondContact O-N 3.36Å; T249-E252 VanDerWaalsContact O-N 3.14Å; T249-V286 HydrophobicContact CG2-CB 4.37Å; T249-V286 HydrophobicContact CG2-CG1 4.22Å; T249-V286 HydrophobicContact CG2-CG2 3.98Å; T249-S289 WeakPolarHBondContact CG2-OG 3.45Å |
| 250 | P | 86.4 | Confident | 89.1 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 56% | 0.558 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.6 | 175.1 | -26.2 | 35.5 | 0 | 0 | 0 | 114.1 | G246 | G246-P250 WeakPolarHBondContact O-CD 3.48Š|
| 251 | L | 87.8 | Confident | 88.8 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -31.8 | 177.5 | -56.2 | 174.4 | 0 | 0 | 0 | 112.6 | P215 K216 L219 L248 T249 | P215-L251 HydrophobicContact CB-CD1 3.81Å; P215-L251 HydrophobicContact CG-CD1 3.93Å; K216-L251 HydrophobicContact CB-CD1 4.43Å; K216-L251 HydrophobicContact CG-CD1 3.65Å; K216-L251 HydrophobicContact CG-CD2 4.07Å; K216-L251 HydrophobicContact CG-CG 4.45Å; L219-L251 HydrophobicContact CD1-CB 4.34Å; L248-L251 WeakPolarHBondContact O-CB 3.39Å; L248-L251 PolarHBondContact O-N 2.86Å; T249-L251 PolarHBondContact O-N 3.21Å; T249-L251 VanDerWaalsContact O-N 3.12Å |
| 252 | E | 87 | Confident | 88.6 | Confident | 65 Ų | 65 | 49.1 Ų | 49.1 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | trans | -136 | 87.6 | -179.6 | -151.4 | -77.5 | 150.6 | 0 | 0 | 109.4 | L219 L248 T249 R254 L255 | L219-E252 HydrophobicContact CD2-CB 4.06Å; L248-E252 PolarHBondContact O-N 3.2Å; L248-E252 VanDerWaalsContact O-N 3.11Å; T249-E252 CarbonylContact O-C 3.47Å; T249-E252 PolarHBondContact O-N 3.36Å; T249-E252 VanDerWaalsContact O-N 3.14Å; E252-R254 PolarHBondContact O-N 2.93Å; E252-R254 VanDerWaalsContact O-N 3.16Å; E252-R254 VanDerWaalsContact OE1-CB 3.23Å; E252-R254 WeakPolarHBondContact OE1-CB 2.76Å; E252-R254 WeakPolarHBondContact OE1-CD 3.17Å; E252-R254 WeakPolarHBondContact OE1-CG 3.33Å; E252-L255 WeakPolarHBondContact O-CB 3.44Å; E252-L255 PolarHBondContact O-N 3.49Å; E252-L255 WeakPolarHBondContact OE2-CA 3.42Å; E252-L255 WeakPolarHBondContact OE2-CB 3.23Å; E252-L255 PolarHBondContact OE2-N 3.24Å | ||
| 253 | P | 84.2 | Confident | 88.4 | Confident | 66 Ų | 66 | 49.2 Ų | 49.2 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.7 | -19.5 | -174.2 | -26.7 | 35.6 | 0 | 0 | 0 | 114.8 | L255 G256 K257 | P253-L255 VanDerWaalsContact C-N 3.32Å; P253-G256 PolarHBondContact O-N 3.34Å; P253-K257 PolarHBondContact O-N 2.92Å |
| 254 | R | 85.8 | Confident | 88.3 | Confident | 199 Ų | 199 | 45.2 Ų | 45.2 | 75% | 0.751 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.9 | -32.2 | 179.5 | -50.2 | 175.6 | 168.4 | 176.8 | -3.1 | 111.1 | E252 G256 K257 K258 | E252-R254 PolarHBondContact O-N 2.93Å; E252-R254 VanDerWaalsContact O-N 3.16Å; E252-R254 VanDerWaalsContact OE1-CB 3.23Å; E252-R254 WeakPolarHBondContact OE1-CB 2.76Å; E252-R254 WeakPolarHBondContact OE1-CD 3.17Å; E252-R254 WeakPolarHBondContact OE1-CG 3.33Å; R254-G256 VanDerWaalsContact C-N 3.34Å; R254-K257 PolarHBondContact O-N 3.42Å; R254-K258 PolarHBondContact O-N 2.98Å |
| 255 | L | 86.9 | Confident | 88.1 | Confident | 17 Ų | 17 | 50.2 Ų | 50.2 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.1 | 178 | 62.4 | 0 | 0 | 0 | 110 | F245 L248 E252 P253 K257 K258 L259 | F245-L255 HydrophobicContact CD1-CD1 4.45Å; F245-L255 HydrophobicContact CD1-CD2 3.72Å; F245-L255 HydrophobicContact CD1-CG 4.35Å; F245-L255 HydrophobicContact CE1-CD1 4.15Å; F245-L255 HydrophobicContact CE1-CD2 3.95Å; F245-L255 HydrophobicContact CE1-CG 4.5Å; L248-L255 HydrophobicContact CB-CD2 4.26Å; E252-L255 WeakPolarHBondContact O-CB 3.44Å; E252-L255 PolarHBondContact O-N 3.49Å; E252-L255 WeakPolarHBondContact OE2-CA 3.42Å; E252-L255 WeakPolarHBondContact OE2-CB 3.23Å; E252-L255 PolarHBondContact OE2-N 3.24Å; P253-L255 VanDerWaalsContact C-N 3.32Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 3.2Å; L255-K258 CarbonylContact O-C 3.52Å; L255-K258 WeakPolarHBondContact O-CA 3.49Å; L255-K258 WeakPolarHBondContact O-CB 3.49Å; L255-K258 PolarHBondContact O-N 3.45Å; L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CD2 4.46Å; L255-L259 HydrophobicContact CD1-CG 4.11Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.76Å; L255-L259 HydrophobicContact CG-CG 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.31Å; L255-L259 PolarHBondContact O-N 3.3Å |
| 256 | G | 83.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P253 R254 K258 L259 I260 I290 | P253-G256 PolarHBondContact O-N 3.34Å; R254-G256 VanDerWaalsContact C-N 3.34Å; G256-K258 VanDerWaalsContact C-N 3.26Å; G256-K258 PolarHBondContact O-N 3.38Å; G256-L259 PolarHBondContact O-N 3.48Å; G256-L259 VanDerWaalsContact O-N 3.17Å; G256-I260 PolarHBondContact O-N 3.45Å; G256-I290 VanDerWaalsContact C-CD1 3.44Å |
| 257 | K | 83.3 | Confident | 88.2 | Confident | 123 Ų | 123 | 51.1 Ų | 51.1 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -33.8 | 174.4 | -66.6 | -174.6 | 179.9 | -177.2 | 0 | 112.7 | P253 R254 L255 I260 I290 | P253-K257 PolarHBondContact O-N 2.92Å; R254-K257 PolarHBondContact O-N 3.42Å; L255-K257 VanDerWaalsContact C-N 3.31Å; L255-K257 PolarHBondContact O-N 3.2Å; K257-I260 WeakPolarHBondContact O-CG2 3.43Å; K257-I290 HydrophobicContact CG-CD1 3.93Å; K257-I290 HydrophobicContact CG-CG2 4.21Å |
| 258 | K | 86.3 | Confident | 88.2 | Confident | 132 Ų | 132 | 54.5 Ų | 54.5 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -79 | -28.2 | 177.3 | -170.1 | 175.7 | 179.3 | 179.1 | 0 | 112.7 | F226 R254 L255 G256 P262 | F226-K258 HydrophobicContact CE2-CD 4.42Å; F226-K258 HydrophobicContact CE2-CG 4.14Å; F226-K258 HydrophobicContact CZ-CG 4.29Å; R254-K258 PolarHBondContact O-N 2.98Å; L255-K258 CarbonylContact O-C 3.52Å; L255-K258 WeakPolarHBondContact O-CA 3.49Å; L255-K258 WeakPolarHBondContact O-CB 3.49Å; L255-K258 PolarHBondContact O-N 3.45Å; G256-K258 VanDerWaalsContact C-N 3.26Å; G256-K258 PolarHBondContact O-N 3.38Å; K258-P262 WeakPolarHBondContact O-CD 3.21Å |
| 259 | L | 89.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.7 | -27.7 | -178.1 | -72.5 | 172.7 | 0 | 0 | 0 | 113.5 | F226 M229 F245 L255 G256 G261 P262 L263 | F226-L259 HydrophobicContact CD2-CD2 3.87Å; F226-L259 HydrophobicContact CE2-CD2 4.01Å; M229-L259 HydrophobicContact CE-CD2 3.64Å; M229-L259 HydrophobicContact SD-CD2 4.2Å; F245-L259 HydrophobicContact CB-CD1 3.64Å; F245-L259 HydrophobicContact CD1-CD1 4.06Å; F245-L259 HydrophobicContact CD2-CD1 4.25Å; F245-L259 HydrophobicContact CD2-CD2 3.79Å; F245-L259 HydrophobicContact CE2-CD2 3.93Å; F245-L259 HydrophobicContact CG-CD1 3.75Å; F245-L259 HydrophobicContact CG-CD2 4.11Å; F245-L259 HydrophobicContact CZ-CD2 4.37Å; L255-L259 HydrophobicContact CD1-CD1 4.2Å; L255-L259 HydrophobicContact CD1-CD2 4.46Å; L255-L259 HydrophobicContact CD1-CG 4.11Å; L255-L259 HydrophobicContact CD2-CD1 4.44Å; L255-L259 HydrophobicContact CG-CD1 3.76Å; L255-L259 HydrophobicContact CG-CG 4.15Å; L255-L259 VanDerWaalsContact O-CG 3.26Å; L255-L259 WeakPolarHBondContact O-CG 3.31Å; L255-L259 PolarHBondContact O-N 3.3Å; G256-L259 PolarHBondContact O-N 3.48Å; G256-L259 VanDerWaalsContact O-N 3.17Å; L259-G261 VanDerWaalsContact C-N 3.3Å; L259-G261 PolarHBondContact O-N 3.24Å; L259-P262 WeakPolarHBondContact O-CD 3.28Å; L259-L263 HydrophobicContact CB-CD1 4.01Å; L259-L263 HydrophobicContact CB-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.14Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.98Å |
| 260 | I | 87.5 | Confident | 88.5 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.087 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.8 | -41.8 | -175.1 | -165.3 | 60.1 | 0 | 0 | 0 | 113 | G256 K257 T264 V283 L287 | G256-I260 PolarHBondContact O-N 3.45Å; K257-I260 WeakPolarHBondContact O-CG2 3.43Å; I260-T264 VanDerWaalsContact O-CB 3.26Å; I260-T264 WeakPolarHBondContact O-CB 3.26Å; I260-T264 PolarHBondContact O-N 2.84Å; I260-T264 PolarHBondContact O-OG1 3.48Å; I260-V283 HydrophobicContact CD1-CB 4.4Å; I260-V283 HydrophobicContact CD1-CG1 3.62Å; I260-V283 HydrophobicContact CD1-CG2 4.11Å; I260-L287 HydrophobicContact CD1-CD1 4.45Å; I260-L287 HydrophobicContact CD1-CD2 4.21Å; I260-L287 HydrophobicContact CD1-CG 4.29Å |
| 261 | G | 87.7 | Confident | 88.7 | Confident | 33 Ų | 33 | 61.2 Ų | 61.2 | 34% | 0.34 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.7 | -59.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L259 L263 T264 N265 | L259-G261 VanDerWaalsContact C-N 3.3Å; L259-G261 PolarHBondContact O-N 3.24Å; G261-L263 VanDerWaalsContact C-N 3.32Å; G261-L263 PolarHBondContact O-N 2.68Å; G261-T264 PolarHBondContact O-N 3.06Å; G261-N265 PolarHBondContact O-N 3.23Å |
| 262 | P | 89.7 | Confident | 89 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.2 | -43.1 | 175.4 | -27.9 | 34.5 | 0 | 0 | 0 | 113.9 | F226 M229 K258 L259 N265 L266 | F226-P262 HydrophobicContact CE2-CG 4.03Å; F226-P262 HydrophobicContact CZ-CG 3.84Å; M229-P262 HydrophobicContact CE-CB 3.93Å; K258-P262 WeakPolarHBondContact O-CD 3.21Å; L259-P262 WeakPolarHBondContact O-CD 3.28Å; P262-N265 PolarHBondContact O-N 2.91Å; P262-L266 WeakPolarHBondContact O-CG 3.42Å; P262-L266 PolarHBondContact O-N 3.19Å |
| 263 | L | 92.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 178.1 | -68.8 | 173.7 | 0 | 0 | 0 | 111.7 | M229 I242 L259 G261 N265 L266 I267 T282 V283 | M229-L263 HydrophobicContact SD-CD2 4.36Å; I242-L263 HydrophobicContact CD1-CD2 4.08Å; I242-L263 HydrophobicContact CG1-CD2 4Å; I242-L263 HydrophobicContact CG2-CD2 4.12Å; L259-L263 HydrophobicContact CB-CD1 4.01Å; L259-L263 HydrophobicContact CB-CG 4.47Å; L259-L263 WeakPolarHBondContact O-CB 3.14Å; L259-L263 VanDerWaalsContact O-CG 3.26Å; L259-L263 WeakPolarHBondContact O-CG 3.33Å; L259-L263 PolarHBondContact O-N 2.98Å; G261-L263 VanDerWaalsContact C-N 3.32Å; G261-L263 PolarHBondContact O-N 2.68Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 2.96Å; L263-L266 PolarHBondContact O-N 3.41Å; L263-I267 VanDerWaalsContact O-CG1 3.25Å; L263-I267 WeakPolarHBondContact O-CG1 3.47Å; L263-I267 PolarHBondContact O-N 3.07Å; L263-T282 HydrophobicContact CD1-CG2 4.07Å; L263-V283 HydrophobicContact CB-CG2 3.56Å; L263-V283 HydrophobicContact CD1-CG2 3.81Å; L263-V283 HydrophobicContact CG-CG2 4.31Å |
| 264 | T | 90.3 | Very high | 89.7 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | I260 G261 I267 H268 S300 L303 | I260-T264 VanDerWaalsContact O-CB 3.26Å; I260-T264 WeakPolarHBondContact O-CB 3.26Å; I260-T264 PolarHBondContact O-N 2.84Å; I260-T264 PolarHBondContact O-OG1 3.48Å; G261-T264 PolarHBondContact O-N 3.06Å; T264-I267 PolarHBondContact O-N 3.2Å; T264-H268 PolarHBondContact O-N 2.88Å; T264-S300 PolarHBondContact OG1-OG 2.94Å; T264-S300 VanDerWaalsContact OG1-OG 3.06Å; T264-L303 HydrophobicContact CG2-CD2 3.7Å |
| 265 | N | 90.3 | Very high | 90.2 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.4 | -39.6 | 175.6 | -68.5 | -17.8 | 0 | 0 | 0 | 112.2 | G261 P262 L263 H268 S269 | G261-N265 PolarHBondContact O-N 3.23Å; P262-N265 PolarHBondContact O-N 2.91Å; L263-N265 VanDerWaalsContact C-N 3.32Å; L263-N265 PolarHBondContact O-N 2.96Å; N265-H268 PolarHBondContact O-N 3.49Å; N265-S269 WeakPolarHBondContact O-CB 3.46Å; N265-S269 PolarHBondContact O-N 3.24Å; N265-S269 PolarHBondContact O-OG 3.12Å |
| 266 | L | 91.4 | Very high | 90.6 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 175 | -74.9 | 174.1 | 0 | 0 | 0 | 111.9 | M229 I242 P262 L263 H268 S269 T270 | M229-L266 HydrophobicContact CG-CD1 4.38Å; I242-L266 HydrophobicContact CD1-CD1 4.39Å; P262-L266 WeakPolarHBondContact O-CG 3.42Å; P262-L266 PolarHBondContact O-N 3.19Å; L263-L266 PolarHBondContact O-N 3.41Å; L266-H268 VanDerWaalsContact C-N 3.25Å; L266-H268 PolarHBondContact O-N 3.06Å; L266-S269 PolarHBondContact O-N 2.8Å; L266-T270 VanDerWaalsContact O-CB 3.24Å; L266-T270 WeakPolarHBondContact O-CB 3.33Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 2.74Å |
| 267 | I | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 175.4 | -71.2 | 168 | 0 | 0 | 0 | 111.1 | L263 T264 L276 C279 I280 V283 L303 K307 | L263-I267 VanDerWaalsContact O-CG1 3.25Å; L263-I267 WeakPolarHBondContact O-CG1 3.47Å; L263-I267 PolarHBondContact O-N 3.07Å; T264-I267 PolarHBondContact O-N 3.2Å; I267-L276 HydrophobicContact CB-CD1 4.23Å; I267-L276 HydrophobicContact CG1-CD1 4.37Å; I267-L276 HydrophobicContact CG2-CD1 3.8Å; I267-C279 HydrophobicContact CD1-CB 3.96Å; I267-C279 HydrophobicContact CG1-CB 3.43Å; I267-C279 VanDerWaalsContact CG1-CB 3.43Å; I267-I280 HydrophobicContact CD1-CG1 3.98Å; I267-I280 HydrophobicContact CG1-CG1 4.22Å; I267-I280 HydrophobicContact CG2-CG1 4.42Å; I267-V283 HydrophobicContact CD1-CB 4.45Å; I267-V283 HydrophobicContact CD1-CG2 3.83Å; I267-L303 HydrophobicContact CB-CD2 4.47Å; I267-L303 HydrophobicContact CG2-CD2 3.96Å; I267-L303 HydrophobicContact CG2-CG 4.03Å; I267-K307 HydrophobicContact CG2-CB 4.47Å; I267-K307 HydrophobicContact CG2-CG 3.86Å; I267-K307 WeakPolarHBondContact O-CE 3.22Å |
| 268 | H | 91.3 | Very high | 91.7 | Very high | 131 Ų | 131 | 45.4 Ų | 45.4 | 61% | 0.606 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -69.8 | -44 | 178.4 | -170.6 | 81.4 | 0 | 0 | 0 | 112.4 | T264 N265 L266 L303 | T264-H268 PolarHBondContact O-N 2.88Å; N265-H268 PolarHBondContact O-N 3.49Å; L266-H268 VanDerWaalsContact C-N 3.25Å; L266-H268 PolarHBondContact O-N 3.06Å; H268-L303 HydrophobicContact CB-CD2 4.4Å |
| 269 | S | 90.5 | Very high | 92.1 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -91.2 | -23 | -169.4 | 56.3 | 0 | 0 | 0 | 0 | 115.6 | N265 L266 | N265-S269 WeakPolarHBondContact O-CB 3.46Å; N265-S269 PolarHBondContact O-N 3.24Å; N265-S269 PolarHBondContact O-OG 3.12Å; L266-S269 PolarHBondContact O-N 2.8Å |
| 270 | T | 92.6 | Very high | 92.3 | Very high | 22 Ų | 22 | 39.1 Ų | 39.1 | 14% | 0.135 | 24% | 0.236 | C | C | . | . | trans | -72.8 | 136.5 | -175.7 | -171 | 0 | 0 | 0 | 0 | 112.4 | L266 A272 L276 | L266-T270 VanDerWaalsContact O-CB 3.24Å; L266-T270 WeakPolarHBondContact O-CB 3.33Å; L266-T270 WeakPolarHBondContact O-CG2 3.47Å; L266-T270 PolarHBondContact O-N 2.74Å; T270-A272 PolarHBondContact OG1-N 3.44Å; T270-L276 HydrophobicContact CG2-CB 3.77Å; T270-L276 HydrophobicContact CG2-CD1 4Å; T270-L276 HydrophobicContact CG2-CG 4.42Å | ||
| 271 | S | 91.4 | Very high | 92.5 | Very high | 117 Ų | 117 | 40.1 Ų | 40.1 | 82% | 0.818 | 24% | 0.241 | S | C | * | . | trans | -94 | -13.4 | 166.7 | 57.1 | 0 | 0 | 0 | 0 | 113 | M273 | S271-M273 PolarHBondContact O-N 2.99Š| ||
| 272 | A | 93.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 14% | 0.14 | 23% | 0.226 | C | C | . | . | trans | -83.3 | 114.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N235 T270 S274 L275 L276 | N235-A272 WeakPolarHBondContact ND2-CB 3.31Å; T270-A272 PolarHBondContact OG1-N 3.44Å; A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.43Å; A272-L275 HydrophobicContact CB-CB 4.13Å; A272-L275 PolarHBondContact O-N 3.36Å; A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 PolarHBondContact O-N 3.49Å | ||
| 273 | M | 93.3 | Very high | 92.8 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -38 | -176.7 | -65 | -58.1 | -178.1 | 0 | 0 | 113.6 | S271 L276 Y277 L311 L319 | S271-M273 PolarHBondContact O-N 2.99Å; M273-L276 WeakPolarHBondContact O-CB 3.49Å; M273-L276 PolarHBondContact O-N 3.15Å; M273-L276 HydrophobicContact SD-CD2 4.12Å; M273-Y277 WeakPolarHBondContact O-CB 3.29Å; M273-Y277 PolarHBondContact O-N 3.3Å; M273-L311 HydrophobicContact SD-CD1 4.3Å; M273-L319 HydrophobicContact CB-CD1 4.19Å; M273-L319 HydrophobicContact CB-CD2 4Å; M273-L319 HydrophobicContact CG-CD1 3.95Å |
| 274 | S | 93 | Very high | 92.5 | Very high | 71 Ų | 71 | 37.8 Ų | 37.8 | 50% | 0.497 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 178.2 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | A272 E278 | A272-S274 VanDerWaalsContact C-N 3.34Å; A272-S274 PolarHBondContact O-N 3.43Å; S274-E278 PolarHBondContact O-N 2.72Å |
| 275 | L | 95.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 174.6 | 178.4 | 60.9 | 0 | 0 | 0 | 110.8 | N235 L238 I239 I242 A272 Y277 E278 C279 | N235-L275 WeakPolarHBondContact OD1-CD2 3.08Å; L238-L275 HydrophobicContact CB-CD1 3.75Å; L238-L275 HydrophobicContact CB-CD2 4.46Å; L238-L275 HydrophobicContact CD1-CD2 3.86Å; I239-L275 HydrophobicContact CD1-CB 4.42Å; I239-L275 HydrophobicContact CG1-CB 4.24Å; I239-L275 HydrophobicContact CG1-CD1 3.89Å; I242-L275 HydrophobicContact CD1-CD1 3.68Å; A272-L275 HydrophobicContact CB-CB 4.13Å; A272-L275 PolarHBondContact O-N 3.36Å; L275-Y277 PolarHBondContact O-N 2.81Å; L275-E278 PolarHBondContact O-N 3.26Å; L275-C279 WeakPolarHBondContact O-CB 3.35Å; L275-C279 PolarHBondContact O-N 3.06Å; L275-C279 PolarHBondContact O-SG 2.75Å |
| 276 | L | 95.7 | Very high | 92 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.5 | -51.4 | 176.8 | 178.6 | 57.1 | 0 | 0 | 0 | 111.6 | I267 T270 A272 M273 E278 C279 I280 K307 L311 | I267-L276 HydrophobicContact CB-CD1 4.23Å; I267-L276 HydrophobicContact CG1-CD1 4.37Å; I267-L276 HydrophobicContact CG2-CD1 3.8Å; T270-L276 HydrophobicContact CG2-CB 3.77Å; T270-L276 HydrophobicContact CG2-CD1 4Å; T270-L276 HydrophobicContact CG2-CG 4.42Å; A272-L276 WeakPolarHBondContact O-CB 3.37Å; A272-L276 PolarHBondContact O-N 3.49Å; M273-L276 WeakPolarHBondContact O-CB 3.49Å; M273-L276 PolarHBondContact O-N 3.15Å; M273-L276 HydrophobicContact SD-CD2 4.12Å; L276-E278 PolarHBondContact O-N 3.29Å; L276-C279 PolarHBondContact O-N 3.02Å; L276-I280 HydrophobicContact CD1-CD1 3.86Å; L276-I280 HydrophobicContact CD1-CG1 4.33Å; L276-I280 HydrophobicContact CG-CD1 3.97Å; L276-I280 WeakPolarHBondContact O-CG1 3.43Å; L276-I280 PolarHBondContact O-N 2.8Å; L276-K307 HydrophobicContact CD1-CB 4.16Å; L276-K307 HydrophobicContact CD1-CD 4.42Å; L276-K307 HydrophobicContact CD1-CG 4.24Å; L276-K307 HydrophobicContact CD2-CB 4.37Å; L276-K307 HydrophobicContact CD2-CD 4.41Å; L276-L311 HydrophobicContact CD2-CD1 3.72Å; L276-L311 HydrophobicContact CG-CD1 4.36Å |
| 277 | Y | 95.9 | Very high | 91.4 | Very high | 28 Ų | 28 | 31.9 Ų | 31.9 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.9 | 179.3 | -96.1 | 0 | 0 | 0 | 112.1 | M273 L275 I280 N281 L311 L322 A326 | M273-Y277 WeakPolarHBondContact O-CB 3.29Å; M273-Y277 PolarHBondContact O-N 3.3Å; L275-Y277 PolarHBondContact O-N 2.81Å; Y277-I280 PolarHBondContact O-N 3.36Å; Y277-N281 WeakPolarHBondContact O-CB 3.41Å; Y277-N281 PolarHBondContact O-N 3.5Å; Y277-L311 HydrophobicContact CD2-CD2 4.15Å; Y277-L322 HydrophobicContact CD2-CB 4.01Å; Y277-L322 HydrophobicContact CE1-CD2 4.19Å; Y277-L322 HydrophobicContact CE2-CB 3.7Å; Y277-L322 HydrophobicContact CE2-CD2 4.3Å; Y277-L322 HydrophobicContact CE2-CG 4.5Å; Y277-L322 WeakPolarHBondContact CE2-O 3.35Å; Y277-A326 HydrophobicContact CD2-CB 4.38Å; Y277-A326 HydrophobicContact CE2-CB 3.64Å |
| 278 | E | 95.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 35 Ų | 35 | 10% | 0.098 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 179.9 | -168.4 | 60.9 | -132.1 | 0 | 0 | 112.2 | I239 I242 K243 S274 L275 L276 I280 N281 T282 | I239-E278 HydrophobicContact CG1-CB 4.38Å; I239-E278 HydrophobicContact CG2-CB 4.43Å; I239-E278 HydrophobicContact CG2-CG 4.13Å; I242-E278 HydrophobicContact CB-CG 4.41Å; I242-E278 HydrophobicContact CG2-CG 3.96Å; K243-E278 WeakPolarHBondContact CE-OE2 3.26Å; K243-E278 HydrophobicContact CG-CG 3.89Å; K243-E278 WeakPolarHBondContact CG-OE1 3.32Å; K243-E278 IonicContact NZ-OE2 2.96Å; S274-E278 PolarHBondContact O-N 2.72Å; L275-E278 PolarHBondContact O-N 3.26Å; L276-E278 PolarHBondContact O-N 3.29Å; E278-I280 VanDerWaalsContact C-N 3.35Å; E278-I280 PolarHBondContact O-N 3.42Å; E278-N281 PolarHBondContact O-N 3.09Å; E278-T282 WeakPolarHBondContact O-CB 3.34Å; E278-T282 PolarHBondContact O-N 3.15Å; E278-T282 PolarHBondContact O-OG1 3.29Å |
| 279 | C | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.2 | -70.2 | 0 | 0 | 0 | 0 | 111 | I242 I267 L275 L276 T282 V283 | I242-C279 VanDerWaalsContact CD1-SG 3.57Å; I267-C279 HydrophobicContact CD1-CB 3.96Å; I267-C279 HydrophobicContact CG1-CB 3.43Å; I267-C279 VanDerWaalsContact CG1-CB 3.43Å; L275-C279 WeakPolarHBondContact O-CB 3.35Å; L275-C279 PolarHBondContact O-N 3.06Å; L275-C279 PolarHBondContact O-SG 2.75Å; L276-C279 PolarHBondContact O-N 3.02Å; C279-T282 PolarHBondContact O-N 3.44Å; C279-V283 WeakPolarHBondContact O-CB 3.33Å; C279-V283 VanDerWaalsContact O-CG2 3.29Å; C279-V283 WeakPolarHBondContact O-CG2 3.27Å; C279-V283 PolarHBondContact O-N 2.76Å |
| 280 | I | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.9 | -50.9 | 179.2 | -68.7 | 166.2 | 0 | 0 | 0 | 110.5 | I267 L276 Y277 E278 T282 V283 V284 C304 K307 L308 | I267-I280 HydrophobicContact CD1-CG1 3.98Å; I267-I280 HydrophobicContact CG1-CG1 4.22Å; I267-I280 HydrophobicContact CG2-CG1 4.42Å; L276-I280 HydrophobicContact CD1-CD1 3.86Å; L276-I280 HydrophobicContact CD1-CG1 4.33Å; L276-I280 HydrophobicContact CG-CD1 3.97Å; L276-I280 WeakPolarHBondContact O-CG1 3.43Å; L276-I280 PolarHBondContact O-N 2.8Å; Y277-I280 PolarHBondContact O-N 3.36Å; E278-I280 VanDerWaalsContact C-N 3.35Å; E278-I280 PolarHBondContact O-N 3.42Å; I280-T282 VanDerWaalsContact C-N 3.27Å; I280-T282 PolarHBondContact O-N 3.47Å; I280-V283 PolarHBondContact O-N 3.16Å; I280-V284 HydrophobicContact CG2-CG2 4.36Å; I280-V284 VanDerWaalsContact O-CG2 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.26Å; I280-V284 PolarHBondContact O-N 3.38Å; I280-C304 HydrophobicContact CG1-CB 4.34Å; I280-C304 HydrophobicContact CG2-CB 3.97Å; I280-K307 HydrophobicContact CD1-CB 3.94Å; I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CD1-CG 4.06Å; I280-L308 HydrophobicContact CG2-CD1 4.08Å; I280-L308 HydrophobicContact CG2-CD2 4.08Å; I280-L308 HydrophobicContact CG2-CG 4.08Å |
| 281 | N | 92 | Very high | 87.2 | Confident | 37 Ų | 37 | 28.7 Ų | 28.7 | 20% | 0.198 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -38.3 | -179.3 | -176.1 | 62.5 | 0 | 0 | 0 | 111.7 | Y277 E278 V284 A285 K329 | Y277-N281 WeakPolarHBondContact O-CB 3.41Å; Y277-N281 PolarHBondContact O-N 3.5Å; E278-N281 PolarHBondContact O-N 3.09Å; N281-V284 PolarHBondContact O-N 3.46Å; N281-A285 WeakPolarHBondContact O-CB 3Å; N281-A285 PolarHBondContact O-N 3.06Å; N281-K329 PolarHBondContact OD1-NZ 2.79Å |
| 282 | T | 91.8 | Very high | 85.3 | Confident | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.4 | -42.2 | 175.8 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | I242 L263 E278 C279 I280 V284 A285 V286 | I242-T282 HydrophobicContact CG2-CG2 3.89Å; I242-T282 WeakPolarHBondContact CG2-OG1 3.48Å; L263-T282 HydrophobicContact CD1-CG2 4.07Å; E278-T282 WeakPolarHBondContact O-CB 3.34Å; E278-T282 PolarHBondContact O-N 3.15Å; E278-T282 PolarHBondContact O-OG1 3.29Å; C279-T282 PolarHBondContact O-N 3.44Å; I280-T282 VanDerWaalsContact C-N 3.27Å; I280-T282 PolarHBondContact O-N 3.47Å; T282-V284 VanDerWaalsContact C-N 3.3Å; T282-V284 PolarHBondContact O-N 3.08Å; T282-A285 PolarHBondContact O-N 2.66Å; T282-V286 HydrophobicContact CG2-CG2 4.13Å; T282-V286 WeakPolarHBondContact O-CB 3.39Å; T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.21Å |
| 283 | V | 90.3 | Very high | 83.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 173.7 | 164.4 | 0 | 0 | 0 | 0 | 110.8 | I260 L263 I267 C279 I280 V286 L287 | I260-V283 HydrophobicContact CD1-CB 4.4Å; I260-V283 HydrophobicContact CD1-CG1 3.62Å; I260-V283 HydrophobicContact CD1-CG2 4.11Å; L263-V283 HydrophobicContact CB-CG2 3.56Å; L263-V283 HydrophobicContact CD1-CG2 3.81Å; L263-V283 HydrophobicContact CG-CG2 4.31Å; I267-V283 HydrophobicContact CD1-CB 4.45Å; I267-V283 HydrophobicContact CD1-CG2 3.83Å; C279-V283 WeakPolarHBondContact O-CB 3.33Å; C279-V283 VanDerWaalsContact O-CG2 3.29Å; C279-V283 WeakPolarHBondContact O-CG2 3.27Å; C279-V283 PolarHBondContact O-N 2.76Å; I280-V283 PolarHBondContact O-N 3.16Å; V283-V286 PolarHBondContact O-N 3.17Å; V283-L287 HydrophobicContact CG1-CD1 3.64Å; V283-L287 HydrophobicContact CG1-CG 4.26Å; V283-L287 WeakPolarHBondContact O-CB 3.33Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 2.85Å |
| 284 | V | 87 | Confident | 81.3 | Confident | 15 Ų | 15 | 32.2 Ų | 32.2 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.9 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | I280 N281 T282 V286 L287 I288 K329 I330 | I280-V284 HydrophobicContact CG2-CG2 4.36Å; I280-V284 VanDerWaalsContact O-CG2 3.27Å; I280-V284 WeakPolarHBondContact O-CG2 3.26Å; I280-V284 PolarHBondContact O-N 3.38Å; N281-V284 PolarHBondContact O-N 3.46Å; T282-V284 VanDerWaalsContact C-N 3.3Å; T282-V284 PolarHBondContact O-N 3.08Å; V284-V286 PolarHBondContact O-N 2.88Å; V284-L287 PolarHBondContact O-N 3.4Å; V284-I288 HydrophobicContact CG1-CD1 3.73Å; V284-I288 HydrophobicContact CG1-CG1 4.5Å; V284-I288 WeakPolarHBondContact O-CD1 3.42Å; V284-I288 WeakPolarHBondContact O-CG1 3.34Å; V284-I288 PolarHBondContact O-N 3.5Å; V284-K329 HydrophobicContact CG1-CB 4.44Å; V284-I330 HydrophobicContact CG1-CG1 4.28Å; V284-I330 HydrophobicContact CG2-CD1 3.83Å; V284-I330 HydrophobicContact CG2-CG1 3.5Å; V284-I330 VanDerWaalsContact CG2-CG1 3.5Å |
| 285 | A | 85 | Confident | 79.4 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N281 T282 I288 S289 | N281-A285 WeakPolarHBondContact O-CB 3Å; N281-A285 PolarHBondContact O-N 3.06Å; T282-A285 PolarHBondContact O-N 2.66Å; A285-I288 PolarHBondContact O-N 3.25Å; A285-S289 PolarHBondContact O-N 2.91Å; A285-S289 VanDerWaalsContact O-N 3.08Å |
| 286 | V | 84.8 | Confident | 77.8 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.5 | 168.5 | 0 | 0 | 0 | 0 | 110.5 | T249 T282 V283 V284 I288 S289 I290 | T249-V286 HydrophobicContact CG2-CB 4.37Å; T249-V286 HydrophobicContact CG2-CG1 4.22Å; T249-V286 HydrophobicContact CG2-CG2 3.98Å; T282-V286 HydrophobicContact CG2-CG2 4.13Å; T282-V286 WeakPolarHBondContact O-CB 3.39Å; T282-V286 WeakPolarHBondContact O-CG2 3.42Å; T282-V286 PolarHBondContact O-N 3.21Å; V283-V286 PolarHBondContact O-N 3.17Å; V284-V286 PolarHBondContact O-N 2.88Å; V286-I288 PolarHBondContact O-N 3.32Å; V286-S289 PolarHBondContact O-N 2.99Å; V286-S289 VanDerWaalsContact O-N 3.15Å; V286-S289 PolarHBondContact O-OG 3.24Å; V286-I290 HydrophobicContact CG1-CD1 3.48Å; V286-I290 VanDerWaalsContact CG1-CD1 3.48Å; V286-I290 HydrophobicContact CG1-CG1 4.41Å; V286-I290 WeakPolarHBondContact O-CG1 3.3Å; V286-I290 PolarHBondContact O-N 2.97Å |
| 287 | L | 80 | Confident | 76.9 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 179.6 | -72 | 170.1 | 0 | 0 | 0 | 111.7 | I260 V283 V284 S289 I290 S291 H297 I301 | I260-L287 HydrophobicContact CD1-CD1 4.45Å; I260-L287 HydrophobicContact CD1-CD2 4.21Å; I260-L287 HydrophobicContact CD1-CG 4.29Å; V283-L287 HydrophobicContact CG1-CD1 3.64Å; V283-L287 HydrophobicContact CG1-CG 4.26Å; V283-L287 WeakPolarHBondContact O-CB 3.33Å; V283-L287 WeakPolarHBondContact O-CG 3.34Å; V283-L287 PolarHBondContact O-N 2.85Å; V284-L287 PolarHBondContact O-N 3.4Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.24Å; L287-I290 PolarHBondContact O-N 2.92Å; L287-S291 WeakPolarHBondContact O-CA 3.45Å; L287-S291 WeakPolarHBondContact O-CB 3.5Å; L287-S291 PolarHBondContact O-N 3.17Å; L287-H297 HydrophobicContact CD2-CB 3.44Å; L287-H297 VanDerWaalsContact CD2-CB 3.44Å; L287-I301 HydrophobicContact CD1-CD1 4.05Å; L287-I301 HydrophobicContact CD1-CG1 3.52Å |
| 288 | I | 76.2 | Confident | 76.2 | Confident | 66 Ų | 66 | 41 Ų | 41 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 173.8 | -66.4 | 160.3 | 0 | 0 | 0 | 110.8 | V284 A285 V286 Y333 | V284-I288 HydrophobicContact CG1-CD1 3.73Å; V284-I288 HydrophobicContact CG1-CG1 4.5Å; V284-I288 WeakPolarHBondContact O-CD1 3.42Å; V284-I288 WeakPolarHBondContact O-CG1 3.34Å; V284-I288 PolarHBondContact O-N 3.5Å; A285-I288 PolarHBondContact O-N 3.25Å; V286-I288 PolarHBondContact O-N 3.32Å; I288-Y333 HydrophobicContact CD1-CD2 3.56Å; I288-Y333 HydrophobicContact CD1-CE2 3.19Å; I288-Y333 HydrophobicContact CD1-CG 4.36Å; I288-Y333 HydrophobicContact CG1-CD1 4.12Å; I288-Y333 HydrophobicContact CG1-CD2 3.57Å; I288-Y333 HydrophobicContact CG1-CE1 4.08Å; I288-Y333 HydrophobicContact CG1-CE2 3.54Å; I288-Y333 HydrophobicContact CG1-CG 3.87Å; I288-Y333 HydrophobicContact CG2-CD1 4.47Å; I288-Y333 HydrophobicContact CG2-CE1 3.8Å; I288-Y333 HydrophobicContact CG2-CE2 4.32Å |
| 289 | S | 73.2 | Confident | 75.7 | Confident | 47 Ų | 47 | 43.3 Ų | 43.3 | 33% | 0.329 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.8 | -28 | -179.6 | 73 | 0 | 0 | 0 | 0 | 114.7 | T249 A285 V286 L287 | T249-S289 WeakPolarHBondContact CG2-OG 3.45Å; A285-S289 PolarHBondContact O-N 2.91Å; A285-S289 VanDerWaalsContact O-N 3.08Å; V286-S289 PolarHBondContact O-N 2.99Å; V286-S289 VanDerWaalsContact O-N 3.15Å; V286-S289 PolarHBondContact O-OG 3.24Å; L287-S289 VanDerWaalsContact C-N 3.25Å; L287-S289 PolarHBondContact O-N 3.24Å |
| 290 | I | 71.2 | Confident | 75.2 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -97.4 | -34.3 | -176.4 | -64.3 | 168.8 | 0 | 0 | 0 | 111.7 | G256 K257 V286 L287 S292 | G256-I290 VanDerWaalsContact C-CD1 3.44Å; K257-I290 HydrophobicContact CG-CD1 3.93Å; K257-I290 HydrophobicContact CG-CG2 4.21Å; V286-I290 HydrophobicContact CG1-CD1 3.48Å; V286-I290 VanDerWaalsContact CG1-CD1 3.48Å; V286-I290 HydrophobicContact CG1-CG1 4.41Å; V286-I290 WeakPolarHBondContact O-CG1 3.3Å; V286-I290 PolarHBondContact O-N 2.97Å; L287-I290 PolarHBondContact O-N 2.92Å; I290-S292 PolarHBondContact O-N 3.37Å |
| 291 | S | 58.1 | Low | 74.9 | Confident | 43 Ų | 43 | 44.5 Ų | 44.5 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | trans | -82.3 | 71.6 | -164.9 | -157.3 | 0 | 0 | 0 | 0 | 111.4 | L287 G293 | L287-S291 WeakPolarHBondContact O-CA 3.45Å; L287-S291 WeakPolarHBondContact O-CB 3.5Å; L287-S291 PolarHBondContact O-N 3.17Å; S291-G293 PolarHBondContact O-N 3.27Å | ||
| 292 | S | 51.8 | Low | 74.8 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 83% | 0.832 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -78 | 68.3 | 143 | -52 | 0 | 0 | 0 | 0 | 108.9 | I290 | I290-S292 PolarHBondContact O-N 3.37Š|
| 293 | G | 48.5 | Very low | 74.8 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 71% | 0.711 | 32% | 0.317 | S | S | * | . | S | Bend | trans | 79.6 | 29.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | S291 | S291-G293 PolarHBondContact O-N 3.27Š|
| 294 | I | 52.8 | Low | 74.9 | Confident | 79 Ų | 79 | 49.2 Ų | 49.2 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | trans | -97.5 | 120 | 175.5 | -50 | 172.9 | 0 | 0 | 0 | 110.5 | S296 | I294-S296 VanDerWaalsContact CG2-OG 3.26Å; I294-S296 WeakPolarHBondContact CG2-OG 3.36Å; I294-S296 PolarHBondContact O-N 2.77Å | ||
| 295 | P | 53 | Low | 75.3 | Confident | 117 Ų | 117 | 48.5 Ų | 48.5 | 76% | 0.76 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -64.3 | -6.5 | 179.9 | -21.3 | 31.7 | 0 | 0 | 0 | 115.9 | H297 | P295-H297 PolarHBondContact O-N 3.34Å; P295-H297 VanDerWaalsContact O-N 3.1Å |
| 296 | S | 63.2 | Low | 75.7 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -67.8 | -13.6 | -166.8 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | I294 | I294-S296 VanDerWaalsContact CG2-OG 3.26Å; I294-S296 WeakPolarHBondContact CG2-OG 3.36Å; I294-S296 PolarHBondContact O-N 2.77Å |
| 297 | H | 76.3 | Confident | 76.1 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -112.6 | 7.9 | -170.1 | -58.4 | -50.2 | 0 | 0 | 0 | 115.1 | L287 P295 A299 S300 I301 | L287-H297 HydrophobicContact CD2-CB 3.44Å; L287-H297 VanDerWaalsContact CD2-CB 3.44Å; P295-H297 PolarHBondContact O-N 3.34Å; P295-H297 VanDerWaalsContact O-N 3.1Å; H297-A299 VanDerWaalsContact C-N 3.26Å; H297-A299 PolarHBondContact O-N 3.33Å; H297-S300 PolarHBondContact O-N 3.09Å; H297-S300 VanDerWaalsContact O-N 3.17Å; H297-I301 PolarHBondContact O-N 2.98Å |
| 298 | Q | 80.4 | Confident | 76.9 | Confident | 65 Ų | 65 | 54 Ų | 54 | 30% | 0.304 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.6 | -37.1 | -179.4 | -174.7 | 68.2 | -39.8 | 0 | 0 | 112.8 | S300 I301 Q302 S337 | Q298-S300 PolarHBondContact O-N 3.39Å; Q298-I301 PolarHBondContact O-N 3.11Å; Q298-Q302 WeakPolarHBondContact O-CG 3.48Å; Q298-Q302 PolarHBondContact O-N 3.36Å; Q298-S337 PolarHBondContact OE1-OG 3.1Å |
| 299 | A | 84.6 | Confident | 77.8 | Confident | 70 Ų | 70 | 56.1 Ų | 56.1 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.2 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H297 I301 Q302 L303 | H297-A299 VanDerWaalsContact C-N 3.26Å; H297-A299 PolarHBondContact O-N 3.33Å; A299-I301 VanDerWaalsContact C-N 3.35Å; A299-Q302 PolarHBondContact O-N 3.4Å; A299-L303 PolarHBondContact O-N 3.04Å |
| 300 | S | 85.4 | Confident | 78.8 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 13% | 0.126 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.4 | -37.9 | 176.4 | -65.1 | 0 | 0 | 0 | 0 | 111.5 | T264 H297 Q298 L303 C304 | T264-S300 PolarHBondContact OG1-OG 2.94Å; T264-S300 VanDerWaalsContact OG1-OG 3.06Å; H297-S300 PolarHBondContact O-N 3.09Å; H297-S300 VanDerWaalsContact O-N 3.17Å; Q298-S300 PolarHBondContact O-N 3.39Å; S300-L303 PolarHBondContact O-N 3.22Å; S300-C304 PolarHBondContact O-N 3.46Å; S300-C304 PolarHBondContact O-SG 3.31Å |
| 301 | I | 88 | Confident | 79.9 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.8 | -64 | 157.4 | 0 | 0 | 0 | 110.6 | L287 H297 Q298 A299 L303 C304 V305 I330 H334 | L287-I301 HydrophobicContact CD1-CD1 4.05Å; L287-I301 HydrophobicContact CD1-CG1 3.52Å; H297-I301 PolarHBondContact O-N 2.98Å; Q298-I301 PolarHBondContact O-N 3.11Å; A299-I301 VanDerWaalsContact C-N 3.35Å; I301-L303 VanDerWaalsContact C-N 3.32Å; I301-L303 PolarHBondContact O-N 2.85Å; I301-C304 WeakPolarHBondContact O-CB 3.42Å; I301-C304 PolarHBondContact O-N 2.88Å; I301-C304 VanDerWaalsContact O-N 3.17Å; I301-V305 HydrophobicContact CG2-CG2 4.5Å; I301-V305 WeakPolarHBondContact O-CG2 3.14Å; I301-V305 PolarHBondContact O-N 3.27Å; I301-I330 HydrophobicContact CG2-CG2 4.09Å; I301-H334 VanDerWaalsContact CD1-CE1 3.43Å; I301-H334 WeakPolarHBondContact CD1-CE1 3.22Å; I301-H334 VanDerWaalsContact CD1-NE2 3.34Å; I301-H334 WeakPolarHBondContact CD1-NE2 3.42Å; I301-H334 HydrophobicContact CG2-CB 4.03Å |
| 302 | Q | 89.6 | Confident | 81.7 | Confident | 108 Ų | 108 | 54.7 Ų | 54.7 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.5 | -74.1 | 176.7 | -13.4 | 0 | 0 | 111.7 | Q298 A299 C304 V305 Q306 | Q298-Q302 WeakPolarHBondContact O-CG 3.48Å; Q298-Q302 PolarHBondContact O-N 3.36Å; A299-Q302 PolarHBondContact O-N 3.4Å; Q302-C304 PolarHBondContact O-N 3.18Å; Q302-V305 PolarHBondContact O-N 2.93Å; Q302-Q306 WeakPolarHBondContact O-CB 3.36Å; Q302-Q306 PolarHBondContact O-N 3.5Å |
| 303 | L | 90.7 | Very high | 83.7 | Confident | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -44 | 174 | -179.1 | 67.2 | 0 | 0 | 0 | 111.9 | T264 I267 H268 A299 S300 I301 Q306 K307 | T264-L303 HydrophobicContact CG2-CD2 3.7Å; I267-L303 HydrophobicContact CB-CD2 4.47Å; I267-L303 HydrophobicContact CG2-CD2 3.96Å; I267-L303 HydrophobicContact CG2-CG 4.03Å; H268-L303 HydrophobicContact CB-CD2 4.4Å; A299-L303 PolarHBondContact O-N 3.04Å; S300-L303 PolarHBondContact O-N 3.22Å; I301-L303 VanDerWaalsContact C-N 3.32Å; I301-L303 PolarHBondContact O-N 2.85Å; L303-Q306 PolarHBondContact O-N 2.89Å; L303-K307 HydrophobicContact CD1-CG 4.36Å; L303-K307 WeakPolarHBondContact O-CB 3.41Å; L303-K307 WeakPolarHBondContact O-CG 3.45Å; L303-K307 PolarHBondContact O-N 3.4Å |
| 304 | C | 93.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 176.4 | -72.9 | 0 | 0 | 0 | 0 | 111.4 | I280 S300 I301 Q302 Q306 K307 L308 I330 | I280-C304 HydrophobicContact CG1-CB 4.34Å; I280-C304 HydrophobicContact CG2-CB 3.97Å; S300-C304 PolarHBondContact O-N 3.46Å; S300-C304 PolarHBondContact O-SG 3.31Å; I301-C304 WeakPolarHBondContact O-CB 3.42Å; I301-C304 PolarHBondContact O-N 2.88Å; I301-C304 VanDerWaalsContact O-N 3.17Å; Q302-C304 PolarHBondContact O-N 3.18Å; C304-Q306 PolarHBondContact O-N 2.85Å; C304-K307 PolarHBondContact O-N 2.93Å; C304-L308 WeakPolarHBondContact O-CG 3.47Å; C304-L308 PolarHBondContact O-N 2.89Å; C304-I330 HydrophobicContact CB-CD1 4.26Å |
| 305 | V | 94.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 178.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | I301 Q302 K307 L308 R309 M327 I330 V338 H341 | I301-V305 HydrophobicContact CG2-CG2 4.5Å; I301-V305 WeakPolarHBondContact O-CG2 3.14Å; I301-V305 PolarHBondContact O-N 3.27Å; Q302-V305 PolarHBondContact O-N 2.93Å; V305-K307 VanDerWaalsContact C-N 3.32Å; V305-K307 PolarHBondContact O-N 2.92Å; V305-L308 PolarHBondContact O-N 3.2Å; V305-R309 PolarHBondContact O-N 2.73Å; V305-M327 HydrophobicContact CB-SD 4.31Å; V305-M327 HydrophobicContact CG1-CE 3.93Å; V305-M327 HydrophobicContact CG1-SD 3.75Å; V305-M327 HydrophobicContact CG2-SD 4.08Å; V305-I330 HydrophobicContact CG2-CD1 3.94Å; V305-I330 HydrophobicContact CG2-CG2 3.92Å; V305-V338 HydrophobicContact CG2-CG2 4.24Å; V305-H341 WeakPolarHBondContact CG1-CD2 3.35Å; V305-H341 VanDerWaalsContact CG1-NE2 3.28Å; V305-H341 WeakPolarHBondContact CG1-NE2 3.47Å |
| 306 | Q | 93.9 | Very high | 89.8 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 57% | 0.57 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 176.8 | -173.9 | -179.7 | 10.9 | 0 | 0 | 112.3 | Q302 L303 C304 R309 | Q302-Q306 WeakPolarHBondContact O-CB 3.36Å; Q302-Q306 PolarHBondContact O-N 3.5Å; L303-Q306 PolarHBondContact O-N 2.89Å; C304-Q306 PolarHBondContact O-N 2.85Å; Q306-R309 WeakPolarHBondContact O-CB 3.27Å |
| 307 | K | 94.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.5 | -38.9 | 174.8 | -71.3 | -69.9 | -171 | 168.9 | 0 | 111.9 | I267 L276 I280 L303 C304 V305 R309 I310 L311 | I267-K307 HydrophobicContact CG2-CB 4.47Å; I267-K307 HydrophobicContact CG2-CG 3.86Å; I267-K307 WeakPolarHBondContact O-CE 3.22Å; L276-K307 HydrophobicContact CD1-CB 4.16Å; L276-K307 HydrophobicContact CD1-CD 4.42Å; L276-K307 HydrophobicContact CD1-CG 4.24Å; L276-K307 HydrophobicContact CD2-CB 4.37Å; L276-K307 HydrophobicContact CD2-CD 4.41Å; I280-K307 HydrophobicContact CD1-CB 3.94Å; L303-K307 HydrophobicContact CD1-CG 4.36Å; L303-K307 WeakPolarHBondContact O-CB 3.41Å; L303-K307 WeakPolarHBondContact O-CG 3.45Å; L303-K307 PolarHBondContact O-N 3.4Å; C304-K307 PolarHBondContact O-N 2.93Å; V305-K307 VanDerWaalsContact C-N 3.32Å; V305-K307 PolarHBondContact O-N 2.92Å; K307-R309 VanDerWaalsContact C-N 3.27Å; K307-R309 PolarHBondContact O-N 3.4Å; K307-I310 HydrophobicContact CD-CD1 4.16Å; K307-I310 WeakPolarHBondContact O-CB 3.45Å; K307-I310 PolarHBondContact O-N 3.4Å; K307-I310 VanDerWaalsContact O-N 3.09Å; K307-L311 WeakPolarHBondContact O-CD1 3.34Å; K307-L311 PolarHBondContact O-N 3.35Å |
| 308 | L | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -33.2 | 174.4 | -71.9 | 179.1 | 0 | 0 | 0 | 112.6 | I280 C304 V305 I310 L311 I312 A326 M327 I330 | I280-L308 HydrophobicContact CD1-CD2 3.87Å; I280-L308 HydrophobicContact CD1-CG 4.06Å; I280-L308 HydrophobicContact CG2-CD1 4.08Å; I280-L308 HydrophobicContact CG2-CD2 4.08Å; I280-L308 HydrophobicContact CG2-CG 4.08Å; C304-L308 WeakPolarHBondContact O-CG 3.47Å; C304-L308 PolarHBondContact O-N 2.89Å; V305-L308 PolarHBondContact O-N 3.2Å; L308-I310 VanDerWaalsContact C-N 3.28Å; L308-I310 PolarHBondContact O-N 3.44Å; L308-L311 HydrophobicContact CD2-CD2 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.28Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-L311 VanDerWaalsContact O-N 3.1Å; L308-I312 WeakPolarHBondContact O-CG1 3.09Å; L308-I312 PolarHBondContact O-N 3.36Å; L308-A326 HydrophobicContact CD1-CB 3.77Å; L308-A326 HydrophobicContact CD2-CB 3.7Å; L308-A326 HydrophobicContact CG-CB 4.41Å; L308-M327 HydrophobicContact CB-CE 3.55Å; L308-M327 HydrophobicContact CB-SD 4.48Å; L308-M327 HydrophobicContact CD1-CB 4.43Å; L308-M327 HydrophobicContact CD1-CE 4.24Å; L308-M327 HydrophobicContact CD1-SD 4.12Å; L308-I330 HydrophobicContact CD1-CD1 3.59Å |
| 309 | R | 95.6 | Very high | 92.8 | Very high | 111 Ų | 111 | 55 Ų | 55 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -54.9 | -45 | 170.6 | 165.5 | 171.9 | -170 | -161.1 | -1 | 111.7 | V305 Q306 K307 L311 I312 E313 L344 | V305-R309 PolarHBondContact O-N 2.73Å; Q306-R309 WeakPolarHBondContact O-CB 3.27Å; K307-R309 VanDerWaalsContact C-N 3.27Å; K307-R309 PolarHBondContact O-N 3.4Å; R309-L311 VanDerWaalsContact C-N 3.26Å; R309-L311 PolarHBondContact O-N 2.93Å; R309-I312 PolarHBondContact O-N 3.26Å; R309-I312 VanDerWaalsContact O-N 3.11Å; R309-E313 HydrophobicContact CG-CG 4.43Å; R309-E313 IonicContact CZ-OE1 2.66Å; R309-E313 VanDerWaalsContact CZ-OE1 3.25Å; R309-E313 IonicContact NE-OE1 2.61Å; R309-E313 PolarHBondContact NE-OE1 3.49Å; R309-E313 IonicContact NE-OE2 3.77Å; R309-E313 IonicContact NH2-OE1 3.63Å; R309-E313 PolarHBondContact NH2-OE1 3.48Å; R309-E313 PolarHBondContact O-N 3.15Å; R309-L344 HydrophobicContact CB-CD2 4.15Å; R309-L344 HydrophobicContact CG-CD2 3.8Å |
| 310 | I | 94.1 | Very high | 93.3 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 40% | 0.395 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 177.7 | -57.5 | 172.3 | 0 | 0 | 0 | 110.7 | K307 L308 I312 E313 D314 | K307-I310 HydrophobicContact CD-CD1 4.16Å; K307-I310 WeakPolarHBondContact O-CB 3.45Å; K307-I310 PolarHBondContact O-N 3.4Å; K307-I310 VanDerWaalsContact O-N 3.09Å; L308-I310 VanDerWaalsContact C-N 3.28Å; L308-I310 PolarHBondContact O-N 3.44Å; I310-I312 VanDerWaalsContact C-N 3.35Å; I310-E313 PolarHBondContact O-N 3.2Å; I310-D314 PolarHBondContact O-N 2.8Å |
| 311 | L | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.3 | -35 | 175.8 | -80.8 | 75 | 0 | 0 | 0 | 112.7 | M273 L276 Y277 K307 L308 R309 D314 L319 K320 | M273-L311 HydrophobicContact SD-CD1 4.3Å; L276-L311 HydrophobicContact CD2-CD1 3.72Å; L276-L311 HydrophobicContact CG-CD1 4.36Å; Y277-L311 HydrophobicContact CD2-CD2 4.15Å; K307-L311 WeakPolarHBondContact O-CD1 3.34Å; K307-L311 PolarHBondContact O-N 3.35Å; L308-L311 HydrophobicContact CD2-CD2 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.28Å; L308-L311 PolarHBondContact O-N 2.89Å; L308-L311 VanDerWaalsContact O-N 3.1Å; R309-L311 VanDerWaalsContact C-N 3.26Å; R309-L311 PolarHBondContact O-N 2.93Å; L311-D314 WeakPolarHBondContact O-CB 3.44Å; L311-L319 CarbonylContact O-C 3.39Å; L311-K320 PolarHBondContact O-N 3.22Å |
| 312 | I | 95.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -76.3 | -32.5 | 179.9 | -64 | 167.1 | 0 | 0 | 0 | 111.6 | L308 R309 I310 D314 K320 L324 M327 L344 I345 C348 | L308-I312 WeakPolarHBondContact O-CG1 3.09Å; L308-I312 PolarHBondContact O-N 3.36Å; R309-I312 PolarHBondContact O-N 3.26Å; R309-I312 VanDerWaalsContact O-N 3.11Å; I310-I312 VanDerWaalsContact C-N 3.35Å; I312-D314 VanDerWaalsContact C-N 3.27Å; I312-K320 WeakPolarHBondContact O-CD 3.05Å; I312-K320 WeakPolarHBondContact O-CG 3.29Å; I312-L324 HydrophobicContact CD1-CD2 4.05Å; I312-L324 HydrophobicContact CD1-CG 4.48Å; I312-L324 HydrophobicContact CG1-CD2 4.4Å; I312-L324 HydrophobicContact CG1-CG 4.39Å; I312-L324 HydrophobicContact CG2-CD2 4.39Å; I312-M327 HydrophobicContact CD1-CE 3.93Å; I312-L344 HydrophobicContact CB-CD2 4.05Å; I312-L344 HydrophobicContact CD1-CD2 4.37Å; I312-L344 HydrophobicContact CG2-CD1 4.13Å; I312-L344 HydrophobicContact CG2-CD2 3.9Å; I312-L344 HydrophobicContact CG2-CG 3.9Å; I312-I345 HydrophobicContact CD1-CD1 4.04Å; I312-C348 VanDerWaalsContact CG2-SG 3.54Å |
| 313 | E | 94.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -80.1 | -7.1 | 176 | -69.4 | 174.9 | 169.1 | 0 | 0 | 113 | R309 I310 L344 | R309-E313 HydrophobicContact CG-CG 4.43Å; R309-E313 IonicContact CZ-OE1 2.66Å; R309-E313 VanDerWaalsContact CZ-OE1 3.25Å; R309-E313 IonicContact NE-OE1 2.61Å; R309-E313 PolarHBondContact NE-OE1 3.49Å; R309-E313 IonicContact NE-OE2 3.77Å; R309-E313 IonicContact NH2-OE1 3.63Å; R309-E313 PolarHBondContact NH2-OE1 3.48Å; R309-E313 PolarHBondContact O-N 3.15Å; I310-E313 PolarHBondContact O-N 3.2Å; E313-L344 HydrophobicContact CG-CD1 3.52Å; E313-L344 HydrophobicContact CG-CD2 4.46Å |
| 314 | D | 94.3 | Very high | 94.8 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -67.7 | 154.5 | -177.9 | -159.3 | -76 | 0 | 0 | 0 | 112.7 | I310 L311 I312 D316 L319 K320 | I310-D314 PolarHBondContact O-N 2.8Å; L311-D314 WeakPolarHBondContact O-CB 3.44Å; I312-D314 VanDerWaalsContact C-N 3.27Å; D314-D316 VanDerWaalsContact C-N 3.32Å; D314-D316 PolarHBondContact O-N 3.16Å; D314-D316 PolarHBondContact OD1-N 2.99Å; D314-L319 HydrophobicContact CB-CB 4.31Å; D314-L319 HydrophobicContact CB-CD1 4.25Å; D314-K320 WeakPolarHBondContact O-CE 3.37Å |
| 315 | S | 92.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 54.6 Ų | 54.6 | 80% | 0.804 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -65.1 | -29.8 | 173.5 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | Q317 | S315-Q317 PolarHBondContact O-N 3.32Š|
| 316 | D | 93.7 | Very high | 94.8 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | trans | -77.2 | 117.1 | -178 | -176 | -12.9 | 0 | 0 | 0 | 111.6 | D314 N318 L319 K320 | D314-D316 VanDerWaalsContact C-N 3.32Å; D314-D316 PolarHBondContact O-N 3.16Å; D314-D316 PolarHBondContact OD1-N 2.99Å; D316-N318 PolarHBondContact O-N 2.91Å; D316-N318 VanDerWaalsContact OD1-CB 3.31Å; D316-N318 WeakPolarHBondContact OD1-CB 3.31Å; D316-N318 PolarHBondContact OD1-N 3.17Å; D316-N318 PolarHBondContact OD1-ND2 3.23Å; D316-N318 VanDerWaalsContact OD1-ND2 3.12Å; D316-L319 HydrophobicContact CB-CB 4.16Å; D316-L319 HydrophobicContact CB-CD1 3.97Å; D316-L319 HydrophobicContact CB-CG 3.88Å; D316-L319 WeakPolarHBondContact O-CB 3.47Å; D316-L319 PolarHBondContact O-N 2.67Å; D316-K320 WeakPolarHBondContact O-CG 3.36Å; D316-K320 PolarHBondContact O-N 3.11Å | ||
| 317 | Q | 93.8 | Very high | 94.8 | Very high | 104 Ų | 104 | 48.9 Ų | 48.9 | 49% | 0.486 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.5 | -35.2 | 178 | -66.6 | 175.4 | 34 | 0 | 0 | 113 | S315 K320 Y321 I356 | S315-Q317 PolarHBondContact O-N 3.32Å; Q317-K320 PolarHBondContact O-N 3.39Å; Q317-Y321 WeakPolarHBondContact O-CB 3.37Å; Q317-Y321 PolarHBondContact O-N 2.79Å; Q317-I356 HydrophobicContact CB-CD1 3.93Å; Q317-I356 HydrophobicContact CG-CD1 4.12Å |
| 318 | N | 94.3 | Very high | 94.8 | Very high | 115 Ų | 115 | 52.1 Ų | 52.1 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 177.6 | -60.8 | -65.7 | 0 | 0 | 0 | 111.4 | D316 Y321 L322 | D316-N318 PolarHBondContact O-N 2.91Å; D316-N318 VanDerWaalsContact OD1-CB 3.31Å; D316-N318 WeakPolarHBondContact OD1-CB 3.31Å; D316-N318 PolarHBondContact OD1-N 3.17Å; D316-N318 PolarHBondContact OD1-ND2 3.23Å; D316-N318 VanDerWaalsContact OD1-ND2 3.12Å; N318-Y321 PolarHBondContact O-N 3.45Å; N318-L322 WeakPolarHBondContact O-CB 3.29Å; N318-L322 VanDerWaalsContact O-CG 3.27Å; N318-L322 WeakPolarHBondContact O-CG 3.4Å; N318-L322 PolarHBondContact O-N 3.5Å |
| 319 | L | 95.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 14% | 0.141 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 176.4 | -65.6 | -176.4 | 0 | 0 | 0 | 110.9 | M273 L311 D314 D316 Y321 L322 G323 | M273-L319 HydrophobicContact CB-CD1 4.19Å; M273-L319 HydrophobicContact CB-CD2 4Å; M273-L319 HydrophobicContact CG-CD1 3.95Å; L311-L319 CarbonylContact O-C 3.39Å; D314-L319 HydrophobicContact CB-CB 4.31Å; D314-L319 HydrophobicContact CB-CD1 4.25Å; D316-L319 HydrophobicContact CB-CB 4.16Å; D316-L319 HydrophobicContact CB-CD1 3.97Å; D316-L319 HydrophobicContact CB-CG 3.88Å; D316-L319 WeakPolarHBondContact O-CB 3.47Å; D316-L319 PolarHBondContact O-N 2.67Å; L319-Y321 PolarHBondContact O-N 3.41Å; L319-L322 PolarHBondContact O-N 3.43Å; L319-G323 PolarHBondContact O-N 2.98Å |
| 320 | K | 96.2 | Very high | 94.4 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 17% | 0.174 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -50 | 173.2 | -58.8 | -165.5 | -172.5 | 178.1 | 0 | 111.7 | L311 I312 D314 D316 Q317 L322 G323 L324 D351 I356 | L311-K320 PolarHBondContact O-N 3.22Å; I312-K320 WeakPolarHBondContact O-CD 3.05Å; I312-K320 WeakPolarHBondContact O-CG 3.29Å; D314-K320 WeakPolarHBondContact O-CE 3.37Å; D316-K320 WeakPolarHBondContact O-CG 3.36Å; D316-K320 PolarHBondContact O-N 3.11Å; Q317-K320 PolarHBondContact O-N 3.39Å; K320-L322 PolarHBondContact O-N 2.96Å; K320-G323 PolarHBondContact O-N 3.42Å; K320-L324 WeakPolarHBondContact O-CG 3.33Å; K320-L324 PolarHBondContact O-N 3.06Å; K320-D351 IonicContact NZ-OD2 2.78Å; K320-D351 PolarHBondContact NZ-OD2 3.42Å; K320-I356 HydrophobicContact CB-CD1 4.06Å; K320-I356 HydrophobicContact CD-CD1 4.12Å |
| 321 | Y | 97.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 48 Ų | 48 | 29% | 0.29 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 179.8 | -176.8 | -84.1 | 0 | 0 | 0 | 112 | Q317 N318 L319 L324 L325 R359 | Q317-Y321 WeakPolarHBondContact O-CB 3.37Å; Q317-Y321 PolarHBondContact O-N 2.79Å; N318-Y321 PolarHBondContact O-N 3.45Å; L319-Y321 PolarHBondContact O-N 3.41Å; Y321-L324 PolarHBondContact O-N 2.99Å; Y321-L325 WeakPolarHBondContact O-CB 3.36Å; Y321-L325 PolarHBondContact O-N 2.95Å; Y321-R359 HydrophobicContact CD2-CG 3.76Å; Y321-R359 HydrophobicContact CE2-CG 3.39Å; Y321-R359 PolarHBondContact OH-NE 3.44Å; Y321-R359 PolarHBondContact OH-NH2 2.91Å |
| 322 | L | 95 | Very high | 94 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.2 | -72.1 | 174.9 | 0 | 0 | 0 | 111.4 | Y277 N318 L319 K320 L324 L325 A326 | Y277-L322 HydrophobicContact CD2-CB 4.01Å; Y277-L322 HydrophobicContact CE1-CD2 4.19Å; Y277-L322 HydrophobicContact CE2-CB 3.7Å; Y277-L322 HydrophobicContact CE2-CD2 4.3Å; Y277-L322 HydrophobicContact CE2-CG 4.5Å; Y277-L322 WeakPolarHBondContact CE2-O 3.35Å; N318-L322 WeakPolarHBondContact O-CB 3.29Å; N318-L322 VanDerWaalsContact O-CG 3.27Å; N318-L322 WeakPolarHBondContact O-CG 3.4Å; N318-L322 PolarHBondContact O-N 3.5Å; L319-L322 PolarHBondContact O-N 3.43Å; K320-L322 PolarHBondContact O-N 2.96Å; L322-L324 PolarHBondContact O-N 3.39Å; L322-L325 PolarHBondContact O-N 3.27Å; L322-A326 PolarHBondContact O-N 3.37Å |
| 323 | G | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L319 K320 L325 A326 M327 | L319-G323 PolarHBondContact O-N 2.98Å; K320-G323 PolarHBondContact O-N 3.42Å; G323-L325 PolarHBondContact O-N 2.8Å; G323-A326 PolarHBondContact O-N 3Å; G323-M327 WeakPolarHBondContact O-CB 3.47Å; G323-M327 PolarHBondContact O-N 3.44Å |
| 324 | L | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 176 | -68.2 | 171.5 | 0 | 0 | 0 | 112 | I312 K320 Y321 L322 M327 R328 I345 I356 R359 A360 L363 | I312-L324 HydrophobicContact CD1-CD2 4.05Å; I312-L324 HydrophobicContact CD1-CG 4.48Å; I312-L324 HydrophobicContact CG1-CD2 4.4Å; I312-L324 HydrophobicContact CG1-CG 4.39Å; I312-L324 HydrophobicContact CG2-CD2 4.39Å; K320-L324 WeakPolarHBondContact O-CG 3.33Å; K320-L324 PolarHBondContact O-N 3.06Å; Y321-L324 PolarHBondContact O-N 2.99Å; L322-L324 PolarHBondContact O-N 3.39Å; L324-M327 PolarHBondContact O-N 3.19Å; L324-R328 PolarHBondContact O-N 2.49Å; L324-I345 HydrophobicContact CD2-CD1 3.83Å; L324-I345 HydrophobicContact CD2-CG2 4.43Å; L324-I356 HydrophobicContact CD1-CG2 3.88Å; L324-R359 HydrophobicContact CB-CB 4.2Å; L324-R359 HydrophobicContact CD1-CB 3.95Å; L324-A360 HydrophobicContact CD1-CB 4.4Å; L324-L363 HydrophobicContact CD2-CD2 3.83Å |
| 325 | L | 94.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 57.7 Ų | 57.7 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 178.8 | -177.7 | 65.1 | 0 | 0 | 0 | 112.3 | Y321 L322 G323 R328 K329 | Y321-L325 WeakPolarHBondContact O-CB 3.36Å; Y321-L325 PolarHBondContact O-N 2.95Å; L322-L325 PolarHBondContact O-N 3.27Å; G323-L325 PolarHBondContact O-N 2.8Å; L325-R328 PolarHBondContact O-N 3.24Å; L325-K329 PolarHBondContact O-N 2.83Å |
| 326 | A | 93.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y277 L308 L322 G323 R328 K329 I330 | Y277-A326 HydrophobicContact CD2-CB 4.38Å; Y277-A326 HydrophobicContact CE2-CB 3.64Å; L308-A326 HydrophobicContact CD1-CB 3.77Å; L308-A326 HydrophobicContact CD2-CB 3.7Å; L308-A326 HydrophobicContact CG-CB 4.41Å; L322-A326 PolarHBondContact O-N 3.37Å; G323-A326 PolarHBondContact O-N 3Å; A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 2.85Å; A326-K329 WeakPolarHBondContact O-CB 3.23Å; A326-K329 PolarHBondContact O-N 2.77Å; A326-K329 VanDerWaalsContact O-N 3.15Å; A326-I330 PolarHBondContact O-N 2.82Å; A326-I330 VanDerWaalsContact O-N 3.14Å |
| 327 | M | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 177.5 | -162.5 | 69.8 | 79.4 | 0 | 0 | 111.5 | V305 L308 I312 G323 L324 K329 I330 L331 V338 L363 | V305-M327 HydrophobicContact CB-SD 4.31Å; V305-M327 HydrophobicContact CG1-CE 3.93Å; V305-M327 HydrophobicContact CG1-SD 3.75Å; V305-M327 HydrophobicContact CG2-SD 4.08Å; L308-M327 HydrophobicContact CB-CE 3.55Å; L308-M327 HydrophobicContact CB-SD 4.48Å; L308-M327 HydrophobicContact CD1-CB 4.43Å; L308-M327 HydrophobicContact CD1-CE 4.24Å; L308-M327 HydrophobicContact CD1-SD 4.12Å; I312-M327 HydrophobicContact CD1-CE 3.93Å; G323-M327 WeakPolarHBondContact O-CB 3.47Å; G323-M327 PolarHBondContact O-N 3.44Å; L324-M327 PolarHBondContact O-N 3.19Å; M327-K329 VanDerWaalsContact C-N 3.32Å; M327-K329 PolarHBondContact O-N 2.88Å; M327-I330 PolarHBondContact O-N 3.37Å; M327-I330 VanDerWaalsContact O-N 3.15Å; M327-L331 WeakPolarHBondContact O-CB 3.47Å; M327-L331 PolarHBondContact O-N 2.93Å; M327-V338 HydrophobicContact CG-CG1 3.61Å; M327-V338 HydrophobicContact CG-CG2 4.32Å; M327-V338 HydrophobicContact SD-CG1 3.97Å; M327-V338 HydrophobicContact SD-CG2 3.96Å; M327-L363 HydrophobicContact CB-CD1 4.34Å; M327-L363 HydrophobicContact CB-CD2 3.95Å; M327-L363 HydrophobicContact CG-CD1 4.29Å; M327-L363 HydrophobicContact CG-CD2 3.96Å |
| 328 | R | 94.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 41% | 0.411 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 174.9 | -177.7 | 178.5 | 168.6 | 179.2 | -0.1 | 112.4 | L324 L325 A326 I330 L331 L332 D362 L363 | L324-R328 PolarHBondContact O-N 2.49Å; L325-R328 PolarHBondContact O-N 3.24Å; A326-R328 VanDerWaalsContact C-N 3.3Å; A326-R328 PolarHBondContact O-N 2.85Å; R328-I330 VanDerWaalsContact C-N 3.32Å; R328-I330 PolarHBondContact O-N 2.8Å; R328-L331 PolarHBondContact O-N 3.21Å; R328-L332 PolarHBondContact O-N 2.82Å; R328-D362 IonicContact NH1-OD2 3.54Å; R328-D362 PolarHBondContact NH1-OD2 3.04Å; R328-L363 VanDerWaalsContact CA-CD1 3.49Å; R328-L363 HydrophobicContact CB-CD1 3.86Å |
| 329 | K | 90.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -38.7 | 175.4 | -70.4 | 175.4 | 174.2 | 176.4 | 0 | 111.9 | N281 V284 L325 A326 M327 Y333 | N281-K329 PolarHBondContact OD1-NZ 2.79Å; V284-K329 HydrophobicContact CG1-CB 4.44Å; L325-K329 PolarHBondContact O-N 2.83Å; A326-K329 WeakPolarHBondContact O-CB 3.23Å; A326-K329 PolarHBondContact O-N 2.77Å; A326-K329 VanDerWaalsContact O-N 3.15Å; M327-K329 VanDerWaalsContact C-N 3.32Å; M327-K329 PolarHBondContact O-N 2.88Å; K329-Y333 WeakPolarHBondContact O-CD2 3.28Å |
| 330 | I | 91.1 | Very high | 92 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 177.2 | -63.4 | 177.2 | 0 | 0 | 0 | 110.8 | V284 I301 C304 V305 L308 A326 M327 R328 L332 Y333 H334 V338 | V284-I330 HydrophobicContact CG1-CG1 4.28Å; V284-I330 HydrophobicContact CG2-CD1 3.83Å; V284-I330 HydrophobicContact CG2-CG1 3.5Å; V284-I330 VanDerWaalsContact CG2-CG1 3.5Å; I301-I330 HydrophobicContact CG2-CG2 4.09Å; C304-I330 HydrophobicContact CB-CD1 4.26Å; V305-I330 HydrophobicContact CG2-CD1 3.94Å; V305-I330 HydrophobicContact CG2-CG2 3.92Å; L308-I330 HydrophobicContact CD1-CD1 3.59Å; A326-I330 PolarHBondContact O-N 2.82Å; A326-I330 VanDerWaalsContact O-N 3.14Å; M327-I330 PolarHBondContact O-N 3.37Å; M327-I330 VanDerWaalsContact O-N 3.15Å; R328-I330 VanDerWaalsContact C-N 3.32Å; R328-I330 PolarHBondContact O-N 2.8Å; I330-L332 PolarHBondContact O-N 3.03Å; I330-Y333 PolarHBondContact O-N 3Å; I330-H334 HydrophobicContact CG2-CB 4.16Å; I330-H334 PolarHBondContact O-N 2.86Å; I330-V338 HydrophobicContact CB-CG2 4.2Å; I330-V338 HydrophobicContact CG2-CG2 3.79Å |
| 331 | L | 91.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.6 | -37.1 | -179 | 176.9 | 62.4 | 0 | 0 | 0 | 112.9 | M327 R328 Y333 P335 V338 L363 M367 | M327-L331 WeakPolarHBondContact O-CB 3.47Å; M327-L331 PolarHBondContact O-N 2.93Å; R328-L331 PolarHBondContact O-N 3.21Å; L331-Y333 PolarHBondContact O-N 2.99Å; L331-P335 HydrophobicContact CD1-CB 3.99Å; L331-V338 HydrophobicContact CB-CG1 4.44Å; L331-V338 HydrophobicContact CB-CG2 4.25Å; L331-V338 HydrophobicContact CD1-CB 4.14Å; L331-V338 HydrophobicContact CD1-CG1 4.26Å; L331-L363 HydrophobicContact CB-CD1 4.34Å; L331-L363 HydrophobicContact CD2-CD1 3.52Å; L331-L363 WeakPolarHBondContact CD2-O 3.37Å; L331-M367 HydrophobicContact CD1-CG 3.84Å; L331-M367 HydrophobicContact CD2-CG 3.59Å; L331-M367 HydrophobicContact CG-CG 4.39Å |
| 332 | L | 88.2 | Confident | 91.7 | Very high | 130 Ų | 130 | 50.2 Ų | 50.2 | 68% | 0.681 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -29.9 | 179.6 | -175.5 | 60.2 | 0 | 0 | 0 | 113.5 | R328 I330 | R328-L332 PolarHBondContact O-N 2.82Å; I330-L332 PolarHBondContact O-N 3.03Å |
| 333 | Y | 85.4 | Confident | 91.6 | Very high | 115 Ų | 115 | 52.8 Ų | 52.8 | 45% | 0.451 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -29.7 | -175.3 | -57.9 | -84.3 | 0 | 0 | 0 | 113.5 | I288 K329 I330 L331 | I288-Y333 HydrophobicContact CD1-CD2 3.56Å; I288-Y333 HydrophobicContact CD1-CE2 3.19Å; I288-Y333 HydrophobicContact CD1-CG 4.36Å; I288-Y333 HydrophobicContact CG1-CD1 4.12Å; I288-Y333 HydrophobicContact CG1-CD2 3.57Å; I288-Y333 HydrophobicContact CG1-CE1 4.08Å; I288-Y333 HydrophobicContact CG1-CE2 3.54Å; I288-Y333 HydrophobicContact CG1-CG 3.87Å; I288-Y333 HydrophobicContact CG2-CD1 4.47Å; I288-Y333 HydrophobicContact CG2-CE1 3.8Å; I288-Y333 HydrophobicContact CG2-CE2 4.32Å; K329-Y333 WeakPolarHBondContact O-CD2 3.28Å; I330-Y333 PolarHBondContact O-N 3Å; L331-Y333 PolarHBondContact O-N 2.99Å |
| 334 | H | 86.3 | Confident | 91.5 | Very high | 44 Ų | 44 | 54.5 Ų | 54.5 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | trans | -132.8 | 63.8 | -175.9 | -61.7 | -69.7 | 0 | 0 | 0 | 111.7 | I301 I330 Q336 S337 | I301-H334 VanDerWaalsContact CD1-CE1 3.43Å; I301-H334 WeakPolarHBondContact CD1-CE1 3.22Å; I301-H334 VanDerWaalsContact CD1-NE2 3.34Å; I301-H334 WeakPolarHBondContact CD1-NE2 3.42Å; I301-H334 HydrophobicContact CG2-CB 4.03Å; I330-H334 HydrophobicContact CG2-CB 4.16Å; I330-H334 PolarHBondContact O-N 2.86Å; H334-Q336 VanDerWaalsContact C-N 3.3Å; H334-Q336 PolarHBondContact O-N 2.8Å; H334-S337 PolarHBondContact O-N 3.07Å | ||
| 335 | P | 88.2 | Confident | 91.5 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | -174.7 | 23.4 | -33.7 | 0 | 0 | 0 | 112.7 | L331 S337 V338 Q339 | L331-P335 HydrophobicContact CD1-CB 3.99Å; P335-S337 PolarHBondContact O-N 3.32Å; P335-S337 VanDerWaalsContact O-N 3.13Å; P335-V338 PolarHBondContact O-N 3.03Å; P335-Q339 WeakPolarHBondContact O-CG 3.4Å; P335-Q339 PolarHBondContact O-N 3.21Å |
| 336 | Q | 87.6 | Confident | 91.5 | Very high | 159 Ų | 159 | 52.5 Ų | 52.5 | 74% | 0.743 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -56.9 | -30.9 | -179.4 | -67.3 | -178.5 | -16.5 | 0 | 0 | 113.7 | H334 P340 | H334-Q336 VanDerWaalsContact C-N 3.3Å; H334-Q336 PolarHBondContact O-N 2.8Å; Q336-P340 WeakPolarHBondContact O-CD 3.2Å |
| 337 | S | 88 | Confident | 91.4 | Very high | 10 Ų | 10 | 54.4 Ų | 54.4 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -79.1 | -25.5 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | Q298 H334 P335 | Q298-S337 PolarHBondContact OE1-OG 3.1Å; H334-S337 PolarHBondContact O-N 3.07Å; P335-S337 PolarHBondContact O-N 3.32Å; P335-S337 VanDerWaalsContact O-N 3.13Å |
| 338 | V | 92.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -90.5 | -30.8 | -177.9 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | V305 M327 I330 L331 P335 P340 H341 M367 | V305-V338 HydrophobicContact CG2-CG2 4.24Å; M327-V338 HydrophobicContact CG-CG1 3.61Å; M327-V338 HydrophobicContact CG-CG2 4.32Å; M327-V338 HydrophobicContact SD-CG1 3.97Å; M327-V338 HydrophobicContact SD-CG2 3.96Å; I330-V338 HydrophobicContact CB-CG2 4.2Å; I330-V338 HydrophobicContact CG2-CG2 3.79Å; L331-V338 HydrophobicContact CB-CG1 4.44Å; L331-V338 HydrophobicContact CB-CG2 4.25Å; L331-V338 HydrophobicContact CD1-CB 4.14Å; L331-V338 HydrophobicContact CD1-CG1 4.26Å; P335-V338 PolarHBondContact O-N 3.03Å; V338-P340 VanDerWaalsContact C-N 3.35Å; V338-H341 WeakPolarHBondContact O-CB 3.37Å; V338-H341 PolarHBondContact O-N 3.37Å; V338-M367 HydrophobicContact CG1-CE 4.02Å; V338-M367 HydrophobicContact CG1-SD 4.12Å; V338-M367 WeakPolarHBondContact O-CE 3.02Å |
| 339 | Q | 92.8 | Very high | 91.2 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 26% | 0.262 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -48.8 | -41.8 | -179.4 | -72.6 | -63.6 | -23.9 | 0 | 0 | 115.3 | P335 H341 K342 M367 N372 | P335-Q339 WeakPolarHBondContact O-CG 3.4Å; P335-Q339 PolarHBondContact O-N 3.21Å; Q339-H341 PolarHBondContact O-N 2.97Å; Q339-K342 WeakPolarHBondContact O-CB 3.41Å; Q339-K342 PolarHBondContact O-N 3.44Å; Q339-K342 VanDerWaalsContact O-N 3.1Å; Q339-M367 PolarHBondContact NE2-O 3.44Å; Q339-M367 PolarHBondContact OE1-O 3.32Å; Q339-N372 PolarHBondContact OE1-ND2 3.14Å |
| 340 | P | 92.1 | Very high | 91.2 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -61.4 | -14.1 | 178.2 | -24.5 | 35.7 | 0 | 0 | 0 | 114.8 | Q336 V338 | Q336-P340 WeakPolarHBondContact O-CD 3.2Å; V338-P340 VanDerWaalsContact C-N 3.35Å |
| 341 | H | 93.4 | Very high | 91.3 | Very high | 31 Ų | 31 | 52.1 Ų | 52.1 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -98.4 | 8.6 | -179.5 | -60 | -77.2 | 0 | 0 | 0 | 113.2 | V305 V338 Q339 D343 L344 I345 | V305-H341 WeakPolarHBondContact CG1-CD2 3.35Å; V305-H341 VanDerWaalsContact CG1-NE2 3.28Å; V305-H341 WeakPolarHBondContact CG1-NE2 3.47Å; V338-H341 WeakPolarHBondContact O-CB 3.37Å; V338-H341 PolarHBondContact O-N 3.37Å; Q339-H341 PolarHBondContact O-N 2.97Å; H341-D343 VanDerWaalsContact C-N 3.27Å; H341-D343 PolarHBondContact O-N 3.44Å; H341-L344 WeakPolarHBondContact O-CB 3.2Å; H341-L344 PolarHBondContact O-N 3.17Å; H341-L344 VanDerWaalsContact O-N 3.12Å; H341-I345 WeakPolarHBondContact O-CG1 3.12Å; H341-I345 PolarHBondContact O-N 3.02Å |
| 342 | K | 93.8 | Very high | 91.2 | Very high | 32 Ų | 32 | 61 Ų | 61 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -49.7 | -45.3 | -179.8 | -173.6 | -158.1 | 71.6 | -179.7 | 0 | 112.7 | Q339 L344 I345 L346 L364 M367 D375 I376 | Q339-K342 WeakPolarHBondContact O-CB 3.41Å; Q339-K342 PolarHBondContact O-N 3.44Å; Q339-K342 VanDerWaalsContact O-N 3.1Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.48Å; K342-I345 PolarHBondContact O-N 3.39Å; K342-I345 VanDerWaalsContact O-N 3.1Å; K342-L346 HydrophobicContact CD-CD1 4.29Å; K342-L346 HydrophobicContact CG-CD1 4.17Å; K342-L346 PolarHBondContact O-N 3.47Å; K342-L364 HydrophobicContact CG-CD2 4.46Å; K342-M367 HydrophobicContact CB-CE 3.8Å; K342-M367 HydrophobicContact CG-CE 4.36Å; K342-D375 IonicContact NZ-OD2 2.68Å; K342-D375 PolarHBondContact NZ-OD2 2.9Å; K342-I376 HydrophobicContact CD-CG1 4.33Å |
| 343 | D | 93.2 | Very high | 91.2 | Very high | 112 Ų | 112 | 56.9 Ų | 56.9 | 60% | 0.599 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.3 | -34.4 | -175.7 | -56.1 | -25.4 | 0 | 0 | 0 | 112.2 | H341 L346 G347 | H341-D343 VanDerWaalsContact C-N 3.27Å; H341-D343 PolarHBondContact O-N 3.44Å; D343-L346 PolarHBondContact O-N 3.39Å; D343-G347 PolarHBondContact O-N 2.94Å |
| 344 | L | 94.6 | Very high | 91.4 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 172.2 | 175.5 | 67.9 | 0 | 0 | 0 | 111 | R309 I312 E313 H341 K342 G347 C348 | R309-L344 HydrophobicContact CB-CD2 4.15Å; R309-L344 HydrophobicContact CG-CD2 3.8Å; I312-L344 HydrophobicContact CB-CD2 4.05Å; I312-L344 HydrophobicContact CD1-CD2 4.37Å; I312-L344 HydrophobicContact CG2-CD1 4.13Å; I312-L344 HydrophobicContact CG2-CD2 3.9Å; I312-L344 HydrophobicContact CG2-CG 3.9Å; E313-L344 HydrophobicContact CG-CD1 3.52Å; E313-L344 HydrophobicContact CG-CD2 4.46Å; H341-L344 WeakPolarHBondContact O-CB 3.2Å; H341-L344 PolarHBondContact O-N 3.17Å; H341-L344 VanDerWaalsContact O-N 3.12Å; K342-L344 VanDerWaalsContact C-N 3.31Å; K342-L344 PolarHBondContact O-N 3.48Å; L344-G347 PolarHBondContact O-N 3.26Å; L344-C348 PolarHBondContact O-N 3.22Å; L344-C348 PolarHBondContact O-SG 3.29Å; L344-C348 VanDerWaalsContact O-SG 3.41Å |
| 345 | I | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -37.6 | -178.8 | -49.8 | -45.4 | 0 | 0 | 0 | 110.9 | I312 L324 H341 K342 G347 C348 A360 L363 L364 M367 | I312-I345 HydrophobicContact CD1-CD1 4.04Å; L324-I345 HydrophobicContact CD2-CD1 3.83Å; L324-I345 HydrophobicContact CD2-CG2 4.43Å; H341-I345 WeakPolarHBondContact O-CG1 3.12Å; H341-I345 PolarHBondContact O-N 3.02Å; K342-I345 PolarHBondContact O-N 3.39Å; K342-I345 VanDerWaalsContact O-N 3.1Å; I345-G347 VanDerWaalsContact C-N 3.32Å; I345-G347 PolarHBondContact O-N 3.29Å; I345-C348 WeakPolarHBondContact O-CB 3.37Å; I345-C348 PolarHBondContact O-N 2.89Å; I345-C348 VanDerWaalsContact O-N 3.12Å; I345-A360 HydrophobicContact CG2-CB 4.04Å; I345-L363 HydrophobicContact CB-CD2 4.4Å; I345-L363 HydrophobicContact CD1-CD2 3.51Å; I345-L363 HydrophobicContact CG1-CD2 3.65Å; I345-L363 HydrophobicContact CG1-CG 4.36Å; I345-L363 HydrophobicContact CG2-CB 4.14Å; I345-L363 HydrophobicContact CG2-CD2 3.79Å; I345-L363 HydrophobicContact CG2-CG 4.07Å; I345-L364 HydrophobicContact CB-CD2 4.13Å; I345-L364 HydrophobicContact CB-CG 4.42Å; I345-L364 HydrophobicContact CG2-CD1 4.41Å; I345-L364 HydrophobicContact CG2-CD2 3.98Å; I345-L364 HydrophobicContact CG2-CG 3.73Å; I345-M367 HydrophobicContact CG1-SD 4.03Å |
| 346 | L | 93.6 | Very high | 92 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 172.2 | -75 | 170.1 | 0 | 0 | 0 | 111.2 | K342 D343 C348 L349 L364 H379 | K342-L346 HydrophobicContact CD-CD1 4.29Å; K342-L346 HydrophobicContact CG-CD1 4.17Å; K342-L346 PolarHBondContact O-N 3.47Å; D343-L346 PolarHBondContact O-N 3.39Å; L346-C348 PolarHBondContact O-N 2.86Å; L346-L349 HydrophobicContact CD2-CD1 4.1Å; L346-L349 VanDerWaalsContact O-CB 3.28Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 WeakPolarHBondContact O-CG 3.4Å; L346-L349 PolarHBondContact O-N 3.35Å; L346-L364 HydrophobicContact CD2-CD1 3.76Å; L346-L364 HydrophobicContact CD2-CD2 3.93Å; L346-L364 HydrophobicContact CG-CD1 4.48Å; L346-L364 HydrophobicContact CG-CD2 4.01Å; L346-H379 HydrophobicContact CD2-CB 3.91Å |
| 347 | G | 91.6 | Very high | 92.3 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 43% | 0.433 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.7 | -23.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | D343 L344 I345 L349 D350 | D343-G347 PolarHBondContact O-N 2.94Å; L344-G347 PolarHBondContact O-N 3.26Å; I345-G347 VanDerWaalsContact C-N 3.32Å; I345-G347 PolarHBondContact O-N 3.29Å; G347-L349 PolarHBondContact O-N 3.26Å; G347-D350 PolarHBondContact O-N 3.16Å |
| 348 | C | 93.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 6% | 0.061 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -73.1 | -12.1 | 174.1 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | I312 L344 I345 L346 D350 D351 I356 A360 | I312-C348 VanDerWaalsContact CG2-SG 3.54Å; L344-C348 PolarHBondContact O-N 3.22Å; L344-C348 PolarHBondContact O-SG 3.29Å; L344-C348 VanDerWaalsContact O-SG 3.41Å; I345-C348 WeakPolarHBondContact O-CB 3.37Å; I345-C348 PolarHBondContact O-N 2.89Å; I345-C348 VanDerWaalsContact O-N 3.12Å; L346-C348 PolarHBondContact O-N 2.86Å; C348-D350 PolarHBondContact O-N 3.39Å; C348-D351 WeakPolarHBondContact O-CB 3.32Å; C348-D351 PolarHBondContact O-N 3.42Å; C348-I356 HydrophobicContact CB-CG2 4.33Å; C348-A360 HydrophobicContact CB-CB 3.57Å |
| 349 | L | 92.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -71.5 | -18.8 | 172.9 | -62.5 | 176.1 | 0 | 0 | 0 | 112.7 | L346 G347 R357 A360 L361 L364 L380 H383 | L346-L349 HydrophobicContact CD2-CD1 4.1Å; L346-L349 VanDerWaalsContact O-CB 3.28Å; L346-L349 WeakPolarHBondContact O-CB 3.44Å; L346-L349 WeakPolarHBondContact O-CG 3.4Å; L346-L349 PolarHBondContact O-N 3.35Å; G347-L349 PolarHBondContact O-N 3.26Å; L349-R357 WeakPolarHBondContact O-CD 3.44Å; L349-R357 WeakPolarHBondContact O-CG 3.15Å; L349-A360 HydrophobicContact CD2-CB 4.09Å; L349-L361 HydrophobicContact CD2-CB 4.26Å; L349-L364 HydrophobicContact CD1-CD1 3.66Å; L349-L364 HydrophobicContact CD2-CD1 4.1Å; L349-L364 HydrophobicContact CG-CD1 4.01Å; L349-L380 HydrophobicContact CD1-CD2 3.71Å; L349-H383 VanDerWaalsContact C-CE1 3.47Å; L349-H383 WeakPolarHBondContact CB-NE2 3.4Å; L349-H383 PolarHBondContact O-CE1 2.66Å; L349-H383 VanDerWaalsContact O-CE1 3.28Å |
| 350 | D | 90.6 | Very high | 92.7 | Very high | 117 Ų | 117 | 49.7 Ų | 49.7 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -89.7 | 3.3 | 174.2 | -68.7 | -56.1 | 0 | 0 | 0 | 113.2 | G347 C348 H383 | G347-D350 PolarHBondContact O-N 3.16Å; C348-D350 PolarHBondContact O-N 3.39Å; D350-H383 IonicContact OD1-CE1 3.53Å; D350-H383 PolarHBondContact OD1-CE1 3.12Å; D350-H383 IonicContact OD1-ND1 3.69Å; D350-H383 IonicContact OD1-NE2 3.31Å |
| 351 | D | 92 | Very high | 92.8 | Very high | 24 Ų | 24 | 45.2 Ų | 45.2 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | trans | -66.4 | 147.9 | -179.1 | -159.7 | -71.6 | 0 | 0 | 0 | 111.5 | K320 C348 D353 I356 R357 | K320-D351 IonicContact NZ-OD2 2.78Å; K320-D351 PolarHBondContact NZ-OD2 3.42Å; C348-D351 WeakPolarHBondContact O-CB 3.32Å; C348-D351 PolarHBondContact O-N 3.42Å; D351-D353 VanDerWaalsContact C-N 3.27Å; D351-D353 PolarHBondContact O-N 3.49Å; D351-D353 PolarHBondContact OD1-N 3.38Å; D351-I356 HydrophobicContact CB-CB 4.19Å; D351-I356 HydrophobicContact CB-CG2 3.79Å; D351-R357 HydrophobicContact CB-CG 4.37Å; D351-R357 WeakPolarHBondContact O-CD 3.34Å; D351-R357 WeakPolarHBondContact O-CG 3.49Å; D351-R357 PolarHBondContact O-NE 3.41Å; D351-R357 VanDerWaalsContact O-NE 3.07Å | ||
| 352 | K | 89 | Confident | 92.7 | Very high | 198 Ų | 198 | 45.2 Ų | 45.2 | 86% | 0.861 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -65.5 | -33.7 | 179.8 | -62.9 | -177.5 | -177.9 | 178.7 | 0 | 111.3 | ||
| 353 | D | 89.9 | Confident | 92.8 | Very high | 44 Ų | 44 | 43.8 Ų | 43.8 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | trans | -80.4 | 123.6 | 179 | -174.8 | -2.6 | 0 | 0 | 0 | 111.2 | D351 S355 I356 R357 | D351-D353 VanDerWaalsContact C-N 3.27Å; D351-D353 PolarHBondContact O-N 3.49Å; D351-D353 PolarHBondContact OD1-N 3.38Å; D353-S355 PolarHBondContact O-N 2.84Å; D353-S355 VanDerWaalsContact OD1-CB 3.28Å; D353-S355 WeakPolarHBondContact OD1-CB 3.44Å; D353-S355 PolarHBondContact OD1-N 3.44Å; D353-S355 PolarHBondContact OD1-OG 3.43Å; D353-I356 HydrophobicContact CB-CB 4.26Å; D353-I356 HydrophobicContact CB-CD1 3.99Å; D353-I356 HydrophobicContact CB-CG1 4Å; D353-I356 PolarHBondContact O-N 2.98Å; D353-R357 WeakPolarHBondContact O-CG 3.33Å; D353-R357 PolarHBondContact O-N 3.11Å; D353-R357 PolarHBondContact O-NE 3Å | ||
| 354 | E | 89.4 | Confident | 92.8 | Very high | 66 Ų | 66 | 38.4 Ų | 38.4 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.6 | -34.2 | 173.8 | -167.7 | 169.4 | 167.3 | 0 | 0 | 112.3 | I356 R357 L358 H392 Y393 | E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.12Å; E354-R357 PolarHBondContact O-N 3.26Å; E354-L358 HydrophobicContact CG-CD1 4.2Å; E354-L358 HydrophobicContact CG-CG 4.36Å; E354-L358 VanDerWaalsContact O-CG 3.3Å; E354-L358 WeakPolarHBondContact O-CG 3.13Å; E354-L358 PolarHBondContact O-N 3.36Å; E354-H392 IonicContact OE1-ND1 3.38Å; E354-H392 PolarHBondContact OE1-ND1 3.08Å; E354-Y393 HydrophobicContact CG-CD2 4.39Å |
| 355 | S | 91.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 42% | 0.42 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -41 | 179.5 | -44.7 | 0 | 0 | 0 | 0 | 111.6 | D353 R359 | D353-S355 PolarHBondContact O-N 2.84Å; D353-S355 VanDerWaalsContact OD1-CB 3.28Å; D353-S355 WeakPolarHBondContact OD1-CB 3.44Å; D353-S355 PolarHBondContact OD1-N 3.44Å; D353-S355 PolarHBondContact OD1-OG 3.43Å; S355-R359 WeakPolarHBondContact O-CG 3.3Å; S355-R359 PolarHBondContact O-N 3.27Å; S355-R359 VanDerWaalsContact O-N 3.09Å |
| 356 | I | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67 | -45.5 | 176.8 | -66.2 | 178.8 | 0 | 0 | 0 | 110 | Q317 K320 L324 C348 D351 D353 E354 L358 R359 A360 | Q317-I356 HydrophobicContact CB-CD1 3.93Å; Q317-I356 HydrophobicContact CG-CD1 4.12Å; K320-I356 HydrophobicContact CB-CD1 4.06Å; K320-I356 HydrophobicContact CD-CD1 4.12Å; L324-I356 HydrophobicContact CD1-CG2 3.88Å; C348-I356 HydrophobicContact CB-CG2 4.33Å; D351-I356 HydrophobicContact CB-CB 4.19Å; D351-I356 HydrophobicContact CB-CG2 3.79Å; D353-I356 HydrophobicContact CB-CB 4.26Å; D353-I356 HydrophobicContact CB-CD1 3.99Å; D353-I356 HydrophobicContact CB-CG1 4Å; D353-I356 PolarHBondContact O-N 2.98Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.12Å; I356-L358 PolarHBondContact O-N 3Å; I356-R359 PolarHBondContact O-N 3.14Å; I356-R359 VanDerWaalsContact O-N 3.16Å; I356-A360 WeakPolarHBondContact O-CB 3.41Å; I356-A360 PolarHBondContact O-N 3.47Å |
| 357 | R | 93.7 | Very high | 92.4 | Very high | 37 Ų | 37 | 40.3 Ų | 40.3 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.7 | -46 | 176.9 | -70.3 | -178 | -80.2 | 163.6 | -3.3 | 112.4 | L349 D351 D353 E354 R359 A360 L361 Y393 | L349-R357 WeakPolarHBondContact O-CD 3.44Å; L349-R357 WeakPolarHBondContact O-CG 3.15Å; D351-R357 HydrophobicContact CB-CG 4.37Å; D351-R357 WeakPolarHBondContact O-CD 3.34Å; D351-R357 WeakPolarHBondContact O-CG 3.49Å; D351-R357 PolarHBondContact O-NE 3.41Å; D351-R357 VanDerWaalsContact O-NE 3.07Å; D353-R357 WeakPolarHBondContact O-CG 3.33Å; D353-R357 PolarHBondContact O-N 3.11Å; D353-R357 PolarHBondContact O-NE 3Å; E354-R357 PolarHBondContact O-N 3.26Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 3.26Å; R357-A360 PolarHBondContact O-N 2.91Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.15Å; R357-Y393 HydrophobicContact CB-CE2 3.65Å |
| 358 | L | 91.9 | Very high | 92.5 | Very high | 49 Ų | 49 | 39.2 Ų | 39.2 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 176.8 | -69.5 | 175 | 0 | 0 | 0 | 112.5 | E354 I356 L361 D362 Y393 E396 | E354-L358 HydrophobicContact CG-CD1 4.2Å; E354-L358 HydrophobicContact CG-CG 4.36Å; E354-L358 VanDerWaalsContact O-CG 3.3Å; E354-L358 WeakPolarHBondContact O-CG 3.13Å; E354-L358 PolarHBondContact O-N 3.36Å; I356-L358 PolarHBondContact O-N 3Å; L358-L361 PolarHBondContact O-N 3.4Å; L358-D362 PolarHBondContact O-N 3.5Å; L358-Y393 HydrophobicContact CD2-CD2 3.96Å; L358-Y393 HydrophobicContact CD2-CE2 4.23Å; L358-Y393 HydrophobicContact CG-CD2 4.45Å; L358-E396 HydrophobicContact CD2-CB 4.33Å; L358-E396 HydrophobicContact CD2-CG 3.72Å |
| 359 | R | 94.1 | Very high | 92.3 | Very high | 78 Ų | 78 | 40.4 Ų | 40.4 | 29% | 0.294 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70 | -37.9 | 174.4 | -71.1 | -57.5 | 179.6 | -152 | -3.4 | 113.2 | Y321 L324 S355 I356 R357 L361 D362 L363 | Y321-R359 HydrophobicContact CD2-CG 3.76Å; Y321-R359 HydrophobicContact CE2-CG 3.39Å; Y321-R359 PolarHBondContact OH-NE 3.44Å; Y321-R359 PolarHBondContact OH-NH2 2.91Å; L324-R359 HydrophobicContact CB-CB 4.2Å; L324-R359 HydrophobicContact CD1-CB 3.95Å; S355-R359 WeakPolarHBondContact O-CG 3.3Å; S355-R359 PolarHBondContact O-N 3.27Å; S355-R359 VanDerWaalsContact O-N 3.09Å; I356-R359 PolarHBondContact O-N 3.14Å; I356-R359 VanDerWaalsContact O-N 3.16Å; R357-R359 VanDerWaalsContact C-N 3.34Å; R357-R359 PolarHBondContact O-N 3.26Å; R359-L361 VanDerWaalsContact C-N 3.33Å; R359-D362 IonicContact NH1-OD2 2.83Å; R359-D362 PolarHBondContact NH1-OD2 3.45Å; R359-D362 PolarHBondContact O-N 2.95Å; R359-L363 WeakPolarHBondContact O-CB 3.44Å; R359-L363 PolarHBondContact O-N 3.35Å |
| 360 | A | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L324 I345 C348 L349 I356 R357 L363 L364 | L324-A360 HydrophobicContact CD1-CB 4.4Å; I345-A360 HydrophobicContact CG2-CB 4.04Å; C348-A360 HydrophobicContact CB-CB 3.57Å; L349-A360 HydrophobicContact CD2-CB 4.09Å; I356-A360 WeakPolarHBondContact O-CB 3.41Å; I356-A360 PolarHBondContact O-N 3.47Å; R357-A360 PolarHBondContact O-N 2.91Å; A360-L363 WeakPolarHBondContact O-CB 3.36Å; A360-L363 PolarHBondContact O-N 3.41Å; A360-L364 WeakPolarHBondContact O-CG 3.45Å; A360-L364 PolarHBondContact O-N 3.14Å |
| 361 | L | 93.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61 | -45.6 | 175.4 | -177.9 | 62.2 | 0 | 0 | 0 | 112.8 | L349 R357 L358 R359 L363 L364 H365 L380 E396 L397 K400 | L349-L361 HydrophobicContact CD2-CB 4.26Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.15Å; L358-L361 PolarHBondContact O-N 3.4Å; R359-L361 VanDerWaalsContact C-N 3.33Å; L361-L363 VanDerWaalsContact C-N 3.27Å; L361-L363 PolarHBondContact O-N 3.38Å; L361-L364 PolarHBondContact O-N 3.31Å; L361-H365 PolarHBondContact O-N 3.33Å; L361-L380 HydrophobicContact CD1-CD1 4.2Å; L361-L380 HydrophobicContact CD1-CD2 3.62Å; L361-E396 HydrophobicContact CD2-CG 4.44Å; L361-L397 HydrophobicContact CD1-CD2 3.78Å; L361-L397 HydrophobicContact CD2-CD2 3.74Å; L361-L397 HydrophobicContact CD2-CG 4.42Å; L361-L397 HydrophobicContact CG-CD2 4.33Å; L361-K400 HydrophobicContact CD1-CB 4.13Å; L361-K400 HydrophobicContact CD1-CG 3.86Å; L361-K400 HydrophobicContact CD2-CB 3.93Å; L361-K400 HydrophobicContact CD2-CD 4.33Å; L361-K400 HydrophobicContact CD2-CG 4.04Å; L361-K400 HydrophobicContact CG-CB 4.19Å; L361-K400 HydrophobicContact CG-CD 4.21Å; L361-K400 HydrophobicContact CG-CG 3.79Å |
| 362 | D | 92.4 | Very high | 92.2 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 17% | 0.171 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59 | -38.5 | 173.9 | -91.2 | -9.3 | 0 | 0 | 0 | 112.7 | R328 L358 R359 K400 | R328-D362 IonicContact NH1-OD2 3.54Å; R328-D362 PolarHBondContact NH1-OD2 3.04Å; L358-D362 PolarHBondContact O-N 3.5Å; R359-D362 IonicContact NH1-OD2 2.83Å; R359-D362 PolarHBondContact NH1-OD2 3.45Å; R359-D362 PolarHBondContact O-N 2.95Å; D362-K400 IonicContact OD1-NZ 3.16Å; D362-K400 PolarHBondContact OD1-NZ 2.95Å |
| 363 | L | 94.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -45.9 | 177.9 | -179.9 | 61.3 | 0 | 0 | 0 | 111.1 | L324 M327 R328 L331 I345 R359 A360 L361 H365 G366 M367 | L324-L363 HydrophobicContact CD2-CD2 3.83Å; M327-L363 HydrophobicContact CB-CD1 4.34Å; M327-L363 HydrophobicContact CB-CD2 3.95Å; M327-L363 HydrophobicContact CG-CD1 4.29Å; M327-L363 HydrophobicContact CG-CD2 3.96Å; R328-L363 VanDerWaalsContact CA-CD1 3.49Å; R328-L363 HydrophobicContact CB-CD1 3.86Å; L331-L363 HydrophobicContact CB-CD1 4.34Å; L331-L363 HydrophobicContact CD2-CD1 3.52Å; L331-L363 WeakPolarHBondContact CD2-O 3.37Å; I345-L363 HydrophobicContact CB-CD2 4.4Å; I345-L363 HydrophobicContact CD1-CD2 3.51Å; I345-L363 HydrophobicContact CG1-CD2 3.65Å; I345-L363 HydrophobicContact CG1-CG 4.36Å; I345-L363 HydrophobicContact CG2-CB 4.14Å; I345-L363 HydrophobicContact CG2-CD2 3.79Å; I345-L363 HydrophobicContact CG2-CG 4.07Å; R359-L363 WeakPolarHBondContact O-CB 3.44Å; R359-L363 PolarHBondContact O-N 3.35Å; A360-L363 WeakPolarHBondContact O-CB 3.36Å; A360-L363 PolarHBondContact O-N 3.41Å; L361-L363 VanDerWaalsContact C-N 3.27Å; L361-L363 PolarHBondContact O-N 3.38Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.01Å; L363-G366 PolarHBondContact O-N 3.36Å; L363-G366 VanDerWaalsContact O-N 3.09Å; L363-M367 HydrophobicContact CG-SD 4.05Å; L363-M367 WeakPolarHBondContact O-CG 3.45Å; L363-M367 PolarHBondContact O-N 3.28Å |
| 364 | L | 94.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58 | -40.5 | 178.1 | -76.4 | 169 | 0 | 0 | 0 | 112 | K342 I345 L346 L349 A360 L361 G366 M367 V368 | K342-L364 HydrophobicContact CG-CD2 4.46Å; I345-L364 HydrophobicContact CB-CD2 4.13Å; I345-L364 HydrophobicContact CB-CG 4.42Å; I345-L364 HydrophobicContact CG2-CD1 4.41Å; I345-L364 HydrophobicContact CG2-CD2 3.98Å; I345-L364 HydrophobicContact CG2-CG 3.73Å; L346-L364 HydrophobicContact CD2-CD1 3.76Å; L346-L364 HydrophobicContact CD2-CD2 3.93Å; L346-L364 HydrophobicContact CG-CD1 4.48Å; L346-L364 HydrophobicContact CG-CD2 4.01Å; L349-L364 HydrophobicContact CD1-CD1 3.66Å; L349-L364 HydrophobicContact CD2-CD1 4.1Å; L349-L364 HydrophobicContact CG-CD1 4.01Å; A360-L364 WeakPolarHBondContact O-CG 3.45Å; A360-L364 PolarHBondContact O-N 3.14Å; L361-L364 PolarHBondContact O-N 3.31Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.21Å; L364-M367 WeakPolarHBondContact O-CA 3.08Å; L364-M367 WeakPolarHBondContact O-CB 3.33Å; L364-M367 PolarHBondContact O-N 3Å; L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 3.07Å |
| 365 | H | 91.4 | Very high | 92.7 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 20% | 0.204 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -51.7 | -47.1 | 174.6 | 160.2 | -135.8 | 0 | 0 | 0 | 111.8 | L361 L363 M367 V368 Y403 I404 Q407 | L361-H365 PolarHBondContact O-N 3.33Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.01Å; H365-M367 PolarHBondContact O-N 3.22Å; H365-V368 PolarHBondContact O-N 3.28Å; H365-Y403 AromaticContact CE1-CE1 3.46Å; H365-Y403 VanDerWaalsContact CE1-CE1 3.46Å; H365-Y403 WeakPolarHBondContact CE1-CE1 3.35Å; H365-Y403 AromaticContact ND1-CE1 3.97Å; H365-Y403 AromaticContact NE2-CE1 3.67Å; H365-I404 HydrophobicContact CB-CD1 4.15Å; H365-I404 HydrophobicContact CB-CG1 4.09Å; H365-Q407 PolarHBondContact CE1-NE2 3.15Å; H365-Q407 PolarHBondContact NE2-NE2 3.41Å |
| 366 | G | 89.9 | Confident | 92.8 | Very high | 42 Ų | 42 | 34.9 Ų | 34.9 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.8 | -15.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L363 L364 | L363-G366 PolarHBondContact O-N 3.36Å; L363-G366 VanDerWaalsContact O-N 3.09Å; L364-G366 VanDerWaalsContact C-N 3.29Å; L364-G366 PolarHBondContact O-N 3.21Å |
| 367 | M | 92.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -89.7 | -8 | -179.8 | -64 | 178.8 | 71.7 | 0 | 0 | 112.7 | L331 V338 Q339 K342 I345 L363 L364 H365 N372 | L331-M367 HydrophobicContact CD1-CG 3.84Å; L331-M367 HydrophobicContact CD2-CG 3.59Å; L331-M367 HydrophobicContact CG-CG 4.39Å; V338-M367 HydrophobicContact CG1-CE 4.02Å; V338-M367 HydrophobicContact CG1-SD 4.12Å; V338-M367 WeakPolarHBondContact O-CE 3.02Å; Q339-M367 PolarHBondContact NE2-O 3.44Å; Q339-M367 PolarHBondContact OE1-O 3.32Å; K342-M367 HydrophobicContact CB-CE 3.8Å; K342-M367 HydrophobicContact CG-CE 4.36Å; I345-M367 HydrophobicContact CG1-SD 4.03Å; L363-M367 HydrophobicContact CG-SD 4.05Å; L363-M367 WeakPolarHBondContact O-CG 3.45Å; L363-M367 PolarHBondContact O-N 3.28Å; L364-M367 WeakPolarHBondContact O-CA 3.08Å; L364-M367 WeakPolarHBondContact O-CB 3.33Å; L364-M367 PolarHBondContact O-N 3Å; H365-M367 PolarHBondContact O-N 3.22Å; M367-N372 PolarHBondContact O-ND2 3.09Å |
| 368 | V | 93.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 12% | 0.115 | 21% | 0.207 | C | C | . | . | trans | -67.4 | 137.8 | -178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L364 H365 N372 L373 I376 I404 N412 | L364-V368 WeakPolarHBondContact O-CG2 3.38Å; L364-V368 PolarHBondContact O-N 3.07Å; H365-V368 PolarHBondContact O-N 3.28Å; V368-N372 WeakPolarHBondContact CA-OD1 3.26Å; V368-L373 HydrophobicContact CG1-CB 4.02Å; V368-L373 HydrophobicContact CG1-CD1 3.66Å; V368-L373 HydrophobicContact CG1-CG 4.41Å; V368-I376 HydrophobicContact CB-CD1 4.48Å; V368-I376 HydrophobicContact CG2-CD1 3.69Å; V368-I376 HydrophobicContact CG2-CG2 4.35Å; V368-I404 HydrophobicContact CB-CG2 4.15Å; V368-I404 HydrophobicContact CG1-CG2 3.82Å; V368-I404 HydrophobicContact CG2-CD1 4.44Å; V368-I404 HydrophobicContact CG2-CG2 3.61Å; V368-N412 HydrophobicContact CG1-CB 4.35Å | ||
| 369 | S | 90.5 | Very high | 92.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 24% | 0.238 | 21% | 0.211 | C | C | . | . | trans | -144.9 | 168.1 | 175.9 | 68.1 | 0 | 0 | 0 | 0 | 109.4 | T371 N372 L373 | S369-T371 PolarHBondContact O-N 3.16Å; S369-T371 VanDerWaalsContact O-N 3.08Å; S369-T371 PolarHBondContact OG-OG1 3.35Å; S369-N372 PolarHBondContact N-OD1 2.98Å; S369-N372 PolarHBondContact O-N 3.43Å; S369-N372 PolarHBondContact O-OD1 3.49Å; S369-N372 VanDerWaalsContact O-OD1 3.04Å; S369-N372 PolarHBondContact OG-ND2 2.92Å; S369-N372 PolarHBondContact OG-OD1 2.95Å; S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.43Å | ||
| 370 | K | 90.5 | Very high | 92.6 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 54% | 0.543 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -30.3 | 178.1 | -70.9 | 179.2 | 172.1 | -173.4 | 0 | 114.3 | R411 T414 | K370-R411 WeakPolarHBondContact CE-O 3.49Å; K370-T414 HydrophobicContact CB-CG2 4.39Å |
| 371 | T | 90.1 | Very high | 92.4 | Very high | 133 Ų | 133 | 37.9 Ų | 37.9 | 82% | 0.816 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -25.1 | -175 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | S369 | S369-T371 PolarHBondContact O-N 3.16Å; S369-T371 VanDerWaalsContact O-N 3.08Å; S369-T371 PolarHBondContact OG-OG1 3.35Å |
| 372 | N | 91.9 | Very high | 92.2 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -7.5 | -175.4 | 69.3 | 10.2 | 0 | 0 | 0 | 113.7 | Q339 M367 V368 S369 M374 D375 I376 | Q339-N372 PolarHBondContact OE1-ND2 3.14Å; M367-N372 PolarHBondContact O-ND2 3.09Å; V368-N372 WeakPolarHBondContact CA-OD1 3.26Å; S369-N372 PolarHBondContact N-OD1 2.98Å; S369-N372 PolarHBondContact O-N 3.43Å; S369-N372 PolarHBondContact O-OD1 3.49Å; S369-N372 VanDerWaalsContact O-OD1 3.04Å; S369-N372 PolarHBondContact OG-ND2 2.92Å; S369-N372 PolarHBondContact OG-OD1 2.95Å; N372-M374 PolarHBondContact O-N 3.38Å; N372-D375 WeakPolarHBondContact O-CB 3.43Å; N372-D375 PolarHBondContact O-N 3.13Å; N372-I376 HydrophobicContact CB-CD1 4.39Å; N372-I376 WeakPolarHBondContact O-CG1 3.31Å; N372-I376 PolarHBondContact O-N 2.79Å |
| 373 | L | 94.1 | Very high | 91.9 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -51.4 | -53.5 | -179.1 | 171.8 | 65.7 | 0 | 0 | 0 | 112.2 | V368 S369 D375 I376 V377 I404 N412 V413 W418 | V368-L373 HydrophobicContact CG1-CB 4.02Å; V368-L373 HydrophobicContact CG1-CD1 3.66Å; V368-L373 HydrophobicContact CG1-CG 4.41Å; S369-L373 WeakPolarHBondContact O-CB 3.29Å; S369-L373 PolarHBondContact O-N 3.43Å; L373-D375 PolarHBondContact O-N 3Å; L373-I376 PolarHBondContact O-N 2.83Å; L373-V377 HydrophobicContact CD1-CG2 3.78Å; L373-V377 HydrophobicContact CG-CG2 4.41Å; L373-V377 WeakPolarHBondContact O-CB 3.41Å; L373-V377 WeakPolarHBondContact O-CG2 3.47Å; L373-V377 PolarHBondContact O-N 2.98Å; L373-I404 HydrophobicContact CD1-CG2 3.52Å; L373-N412 HydrophobicContact CD2-CB 4.02Å; L373-N412 WeakPolarHBondContact CD2-O 3.5Å; L373-V413 HydrophobicContact CD2-CB 4.5Å; L373-V413 HydrophobicContact CD2-CG2 3.97Å; L373-W418 HydrophobicContact CD2-CH2 4.41Å; L373-W418 HydrophobicContact CD2-CZ3 4.07Å; L373-W418 HydrophobicContact CG-CH2 4.14Å; L373-W418 HydrophobicContact CG-CZ3 4.29Å |
| 374 | M | 92.1 | Very high | 91.6 | Very high | 59 Ų | 59 | 41.7 Ų | 41.7 | 29% | 0.291 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.5 | -36.7 | -176.6 | -68 | -179.2 | 171.8 | 0 | 0 | 112.2 | N372 K378 T414 W418 | N372-M374 PolarHBondContact O-N 3.38Å; M374-K378 WeakPolarHBondContact O-CB 3.5Å; M374-K378 WeakPolarHBondContact O-CD 3.45Å; M374-K378 WeakPolarHBondContact O-CG 3.29Å; M374-K378 PolarHBondContact O-N 2.99Å; M374-T414 WeakPolarHBondContact CE-OG1 3.45Å; M374-W418 HydrophobicContact CB-CH2 4.36Å; M374-W418 HydrophobicContact CB-CZ2 4.01Å; M374-W418 HydrophobicContact CE-CB 4.23Å; M374-W418 HydrophobicContact CE-CD2 3.86Å; M374-W418 HydrophobicContact CE-CE3 3.91Å; M374-W418 HydrophobicContact CE-CG 3.99Å; M374-W418 HydrophobicContact CG-CD2 3.94Å; M374-W418 HydrophobicContact CG-CE3 4.05Å; M374-W418 HydrophobicContact CG-CH2 3.91Å; M374-W418 HydrophobicContact CG-CZ2 3.8Å; M374-W418 HydrophobicContact CG-CZ3 4.04Å; M374-W418 HydrophobicContact SD-CD2 4.43Å |
| 375 | D | 92.3 | Very high | 91 | Very high | 61 Ų | 61 | 43.6 Ų | 43.6 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.1 | -47.2 | 179.5 | -175.1 | 36.4 | 0 | 0 | 0 | 111.6 | K342 N372 L373 V377 K378 H379 | K342-D375 IonicContact NZ-OD2 2.68Å; K342-D375 PolarHBondContact NZ-OD2 2.9Å; N372-D375 WeakPolarHBondContact O-CB 3.43Å; N372-D375 PolarHBondContact O-N 3.13Å; L373-D375 PolarHBondContact O-N 3Å; D375-V377 PolarHBondContact O-N 2.96Å; D375-K378 PolarHBondContact O-N 2.73Å; D375-H379 PolarHBondContact O-CD2 2.89Å; D375-H379 PolarHBondContact O-N 2.79Å; D375-H379 VanDerWaalsContact O-N 3.13Å; D375-H379 IonicContact OD1-CD2 2.73Å |
| 376 | I | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 176.1 | -66.2 | 169.6 | 0 | 0 | 0 | 110.3 | K342 V368 N372 L373 K378 H379 L380 | K342-I376 HydrophobicContact CD-CG1 4.33Å; V368-I376 HydrophobicContact CB-CD1 4.48Å; V368-I376 HydrophobicContact CG2-CD1 3.69Å; V368-I376 HydrophobicContact CG2-CG2 4.35Å; N372-I376 HydrophobicContact CB-CD1 4.39Å; N372-I376 WeakPolarHBondContact O-CG1 3.31Å; N372-I376 PolarHBondContact O-N 2.79Å; L373-I376 PolarHBondContact O-N 2.83Å; I376-K378 VanDerWaalsContact C-N 3.35Å; I376-K378 PolarHBondContact O-N 2.84Å; I376-H379 PolarHBondContact O-N 3.24Å; I376-L380 HydrophobicContact CG2-CD1 4.03Å; I376-L380 HydrophobicContact CG2-CG 4.35Å; I376-L380 WeakPolarHBondContact O-CG 3.25Å; I376-L380 PolarHBondContact O-N 3.5Å |
| 377 | V | 94.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | -179.9 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L373 D375 H379 L380 M381 V401 W418 V422 | L373-V377 HydrophobicContact CD1-CG2 3.78Å; L373-V377 HydrophobicContact CG-CG2 4.41Å; L373-V377 WeakPolarHBondContact O-CB 3.41Å; L373-V377 WeakPolarHBondContact O-CG2 3.47Å; L373-V377 PolarHBondContact O-N 2.98Å; D375-V377 PolarHBondContact O-N 2.96Å; V377-H379 VanDerWaalsContact C-N 3.33Å; V377-H379 PolarHBondContact O-N 3.39Å; V377-L380 PolarHBondContact O-N 2.96Å; V377-L380 VanDerWaalsContact O-N 3.15Å; V377-M381 HydrophobicContact CG1-CG 4.24Å; V377-M381 VanDerWaalsContact O-CG 3.29Å; V377-M381 WeakPolarHBondContact O-CG 3.41Å; V377-M381 PolarHBondContact O-N 3.48Å; V377-V401 HydrophobicContact CG1-CG1 4Å; V377-V401 HydrophobicContact CG2-CG1 4.45Å; V377-W418 HydrophobicContact CB-CH2 3.99Å; V377-W418 HydrophobicContact CB-CZ2 3.99Å; V377-W418 HydrophobicContact CG1-CH2 4.07Å; V377-W418 HydrophobicContact CG1-CZ2 3.91Å; V377-W418 HydrophobicContact CG2-CH2 4.11Å; V377-V422 HydrophobicContact CG1-CG1 3.95Å; V377-V422 HydrophobicContact CG1-CG2 4.25Å |
| 378 | K | 92.3 | Very high | 88.1 | Confident | 125 Ų | 125 | 53 Ų | 53 | 54% | 0.543 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57 | -45.3 | 174.7 | -79.1 | 171 | -176.7 | -175.3 | 0 | 112.2 | M374 D375 I376 M381 I382 | M374-K378 WeakPolarHBondContact O-CB 3.5Å; M374-K378 WeakPolarHBondContact O-CD 3.45Å; M374-K378 WeakPolarHBondContact O-CG 3.29Å; M374-K378 PolarHBondContact O-N 2.99Å; D375-K378 PolarHBondContact O-N 2.73Å; I376-K378 VanDerWaalsContact C-N 3.35Å; I376-K378 PolarHBondContact O-N 2.84Å; K378-M381 PolarHBondContact O-N 2.92Å; K378-I382 WeakPolarHBondContact O-CG1 3.26Å; K378-I382 PolarHBondContact O-N 2.88Å |
| 379 | H | 90.7 | Very high | 87 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -44.2 | 175 | -85.9 | -83.7 | 0 | 0 | 0 | 112.1 | L346 D375 I376 V377 M381 I382 H383 | L346-H379 HydrophobicContact CD2-CB 3.91Å; D375-H379 PolarHBondContact O-CD2 2.89Å; D375-H379 PolarHBondContact O-N 2.79Å; D375-H379 VanDerWaalsContact O-N 3.13Å; D375-H379 IonicContact OD1-CD2 2.73Å; I376-H379 PolarHBondContact O-N 3.24Å; V377-H379 VanDerWaalsContact C-N 3.33Å; V377-H379 PolarHBondContact O-N 3.39Å; H379-M381 VanDerWaalsContact C-N 3.31Å; H379-M381 PolarHBondContact O-N 3.39Å; H379-I382 WeakPolarHBondContact O-CB 3.33Å; H379-I382 PolarHBondContact O-N 3.17Å; H379-H383 PolarHBondContact O-CD2 2.96Å; H379-H383 PolarHBondContact O-N 2.7Å |
| 380 | L | 92.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 177.3 | -63.3 | 176.1 | 0 | 0 | 0 | 112 | L349 L361 I376 V377 I382 H383 I384 L397 V401 I404 | L349-L380 HydrophobicContact CD1-CD2 3.71Å; L361-L380 HydrophobicContact CD1-CD1 4.2Å; L361-L380 HydrophobicContact CD1-CD2 3.62Å; I376-L380 HydrophobicContact CG2-CD1 4.03Å; I376-L380 HydrophobicContact CG2-CG 4.35Å; I376-L380 WeakPolarHBondContact O-CG 3.25Å; I376-L380 PolarHBondContact O-N 3.5Å; V377-L380 PolarHBondContact O-N 2.96Å; V377-L380 VanDerWaalsContact O-N 3.15Å; L380-I382 VanDerWaalsContact C-N 3.3Å; L380-I382 PolarHBondContact O-N 3.49Å; L380-H383 PolarHBondContact O-N 2.86Å; L380-H383 VanDerWaalsContact O-N 3.13Å; L380-I384 VanDerWaalsContact O-CG1 3.3Å; L380-I384 WeakPolarHBondContact O-CG1 3.44Å; L380-I384 PolarHBondContact O-N 2.88Å; L380-L397 HydrophobicContact CD2-CD2 3.74Å; L380-V401 HydrophobicContact CB-CG2 3.76Å; L380-V401 HydrophobicContact CD1-CG2 3.67Å; L380-V401 HydrophobicContact CG-CG2 4.37Å; L380-I404 HydrophobicContact CD1-CD1 4.18Å |
| 381 | M | 91 | Very high | 85.9 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 12% | 0.118 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -38.4 | 176.7 | -72.3 | -63.2 | -73.5 | 0 | 0 | 112.4 | V377 K378 H379 H383 I384 G385 V422 E425 L426 | V377-M381 HydrophobicContact CG1-CG 4.24Å; V377-M381 VanDerWaalsContact O-CG 3.29Å; V377-M381 WeakPolarHBondContact O-CG 3.41Å; V377-M381 PolarHBondContact O-N 3.48Å; K378-M381 PolarHBondContact O-N 2.92Å; H379-M381 VanDerWaalsContact C-N 3.31Å; H379-M381 PolarHBondContact O-N 3.39Å; M381-H383 VanDerWaalsContact C-N 3.34Å; M381-H383 PolarHBondContact O-N 3.21Å; M381-I384 PolarHBondContact O-N 3.3Å; M381-I384 HydrophobicContact SD-CD1 4.31Å; M381-G385 PolarHBondContact O-N 3.4Å; M381-V422 HydrophobicContact SD-CG1 4.12Å; M381-E425 HydrophobicContact CE-CB 3.66Å; M381-L426 HydrophobicContact CE-CD2 3.96Å; M381-L426 HydrophobicContact CE-CG 3.96Å; M381-L426 HydrophobicContact SD-CD1 4.38Å; M381-L426 HydrophobicContact SD-CD2 3.42Å; M381-L426 WeakPolarHBondContact SD-CD2 3.32Å; M381-L426 HydrophobicContact SD-CG 3.71Å |
| 382 | I | 89.4 | Confident | 85.6 | Confident | 102 Ų | 102 | 50.4 Ų | 50.4 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.2 | -63.7 | 167 | 0 | 0 | 0 | 110.5 | K378 H379 L380 I384 G385 N386 | K378-I382 WeakPolarHBondContact O-CG1 3.26Å; K378-I382 PolarHBondContact O-N 2.88Å; H379-I382 WeakPolarHBondContact O-CB 3.33Å; H379-I382 PolarHBondContact O-N 3.17Å; L380-I382 VanDerWaalsContact C-N 3.3Å; L380-I382 PolarHBondContact O-N 3.49Å; I382-I384 PolarHBondContact O-N 3.45Å; I382-G385 PolarHBondContact O-N 3.32Å; I382-N386 PolarHBondContact O-N 3.19Å; I382-N386 VanDerWaalsContact O-N 3.12Å; I382-N386 PolarHBondContact O-ND2 3.29Å; I382-N386 PolarHBondContact O-OD1 3.41Å |
| 383 | H | 87.4 | Confident | 85.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 6% | 0.06 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.9 | -31.4 | 178.8 | -73.3 | -89.5 | 0 | 0 | 0 | 113.8 | L349 D350 H379 L380 M381 S389 L397 | L349-H383 VanDerWaalsContact C-CE1 3.47Å; L349-H383 WeakPolarHBondContact CB-NE2 3.4Å; L349-H383 PolarHBondContact O-CE1 2.66Å; L349-H383 VanDerWaalsContact O-CE1 3.28Å; D350-H383 IonicContact OD1-CE1 3.53Å; D350-H383 PolarHBondContact OD1-CE1 3.12Å; D350-H383 IonicContact OD1-ND1 3.69Å; D350-H383 IonicContact OD1-NE2 3.31Å; H379-H383 PolarHBondContact O-CD2 2.96Å; H379-H383 PolarHBondContact O-N 2.7Å; L380-H383 PolarHBondContact O-N 2.86Å; L380-H383 VanDerWaalsContact O-N 3.13Å; M381-H383 VanDerWaalsContact C-N 3.34Å; M381-H383 PolarHBondContact O-N 3.21Å; H383-S389 PolarHBondContact O-OG 3.05Å; H383-L397 HydrophobicContact CB-CD1 3.7Å |
| 384 | I | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 175 | -63.5 | 167.5 | 0 | 0 | 0 | 110.5 | L380 M381 I382 R394 L397 V401 L426 I429 I432 | L380-I384 VanDerWaalsContact O-CG1 3.3Å; L380-I384 WeakPolarHBondContact O-CG1 3.44Å; L380-I384 PolarHBondContact O-N 2.88Å; M381-I384 PolarHBondContact O-N 3.3Å; M381-I384 HydrophobicContact SD-CD1 4.31Å; I382-I384 PolarHBondContact O-N 3.45Å; I384-R394 PolarHBondContact O-NE 3.07Å; I384-R394 PolarHBondContact O-NH2 3.14Å; I384-L397 HydrophobicContact CD1-CB 3.88Å; I384-L397 HydrophobicContact CG1-CB 3.48Å; I384-L397 VanDerWaalsContact CG1-CB 3.48Å; I384-L397 HydrophobicContact CG1-CD1 3.95Å; I384-L397 HydrophobicContact CG1-CG 4.36Å; I384-V401 HydrophobicContact CD1-CG2 4.04Å; I384-L426 HydrophobicContact CD1-CD2 3.78Å; I384-L426 HydrophobicContact CG2-CD2 4.14Å; I384-I429 HydrophobicContact CB-CD1 4.47Å; I384-I429 HydrophobicContact CG2-CD1 3.67Å; I384-I432 HydrophobicContact CG2-CD1 3.72Å |
| 385 | G | 82.4 | Confident | 84.7 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.1 | -24.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M381 I382 S387 | M381-G385 PolarHBondContact O-N 3.4Å; I382-G385 PolarHBondContact O-N 3.32Å; G385-S387 PolarHBondContact O-N 3.44Å |
| 386 | N | 80.8 | Confident | 84.5 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | trans | -70.2 | 102.8 | 179.4 | -73.2 | -14.2 | 0 | 0 | 0 | 111.7 | I382 S388 S389 | I382-N386 PolarHBondContact O-N 3.19Å; I382-N386 VanDerWaalsContact O-N 3.12Å; I382-N386 PolarHBondContact O-ND2 3.29Å; I382-N386 PolarHBondContact O-OD1 3.41Å; N386-S388 PolarHBondContact O-N 3.33Å; N386-S388 VanDerWaalsContact O-N 3.08Å; N386-S389 VanDerWaalsContact O-CB 3.25Å; N386-S389 WeakPolarHBondContact O-CB 3.43Å; N386-S389 PolarHBondContact O-N 3.23Å; N386-S389 PolarHBondContact O-OG 3.46Å | ||
| 387 | S | 64.9 | Low | 84.3 | Confident | 102 Ų | 102 | 49.8 Ų | 49.8 | 71% | 0.713 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.4 | -179.9 | -70.6 | 0 | 0 | 0 | 0 | 115.3 | G385 S389 | G385-S387 PolarHBondContact O-N 3.44Å; S387-S389 PolarHBondContact O-N 2.78Å |
| 388 | S | 67.2 | Low | 84.2 | Confident | 114 Ų | 114 | 49.8 Ų | 49.8 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -20.2 | 172.7 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | N386 | N386-S388 PolarHBondContact O-N 3.33Å; N386-S388 VanDerWaalsContact O-N 3.08Å |
| 389 | S | 70.3 | Confident | 84.1 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -70 | 132.5 | 174 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | H383 N386 S387 R394 | H383-S389 PolarHBondContact O-OG 3.05Å; N386-S389 VanDerWaalsContact O-CB 3.25Å; N386-S389 WeakPolarHBondContact O-CB 3.43Å; N386-S389 PolarHBondContact O-N 3.23Å; N386-S389 PolarHBondContact O-OG 3.46Å; S387-S389 PolarHBondContact O-N 2.78Å; S389-R394 VanDerWaalsContact O-CD 3.31Å; S389-R394 WeakPolarHBondContact O-CD 3.43Å |
| 390 | G | 77 | Confident | 84.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | trans | -53.3 | 142.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | H392 Y393 R394 | G390-H392 PolarHBondContact O-N 2.97Å; G390-Y393 PolarHBondContact O-N 3.5Å; G390-Y393 VanDerWaalsContact O-N 3.15Å; G390-R394 PolarHBondContact O-N 3.44Å; G390-R394 VanDerWaalsContact O-N 3.09Å | ||
| 391 | L | 81.1 | Confident | 84.2 | Confident | 78 Ų | 78 | 43.1 Ų | 43.1 | 41% | 0.408 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.6 | -38.4 | -177.1 | 175.3 | 60.5 | 0 | 0 | 0 | 112.6 | R394 N395 G431 | L391-R394 PolarHBondContact O-N 2.98Å; L391-N395 VanDerWaalsContact O-CG 3.28Å; L391-N395 PolarHBondContact O-N 3.03Å; L391-N395 PolarHBondContact O-ND2 3.28Å; L391-G431 WeakPolarHBondContact CD1-O 3.34Å |
| 392 | H | 83.4 | Confident | 84.4 | Confident | 124 Ų | 124 | 42.1 Ų | 42.1 | 57% | 0.574 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.6 | -51.1 | 177.5 | -178.1 | -97.7 | 0 | 0 | 0 | 111.7 | E354 G390 R394 N395 E396 | E354-H392 IonicContact OE1-ND1 3.38Å; E354-H392 PolarHBondContact OE1-ND1 3.08Å; G390-H392 PolarHBondContact O-N 2.97Å; H392-R394 VanDerWaalsContact C-N 3.35Å; H392-R394 PolarHBondContact O-N 3.3Å; H392-N395 PolarHBondContact O-N 3.36Å; H392-E396 PolarHBondContact O-N 3.13Å |
| 393 | Y | 86.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.9 | -179.3 | -117.7 | 0 | 0 | 0 | 112.8 | E354 R357 L358 G390 E396 L397 | E354-Y393 HydrophobicContact CG-CD2 4.39Å; R357-Y393 HydrophobicContact CB-CE2 3.65Å; L358-Y393 HydrophobicContact CD2-CD2 3.96Å; L358-Y393 HydrophobicContact CD2-CE2 4.23Å; L358-Y393 HydrophobicContact CG-CD2 4.45Å; G390-Y393 PolarHBondContact O-N 3.5Å; G390-Y393 VanDerWaalsContact O-N 3.15Å; Y393-E396 PolarHBondContact O-N 3.23Å; Y393-L397 HydrophobicContact CD1-CD1 3.86Å; Y393-L397 HydrophobicContact CD2-CG 4.49Å; Y393-L397 HydrophobicContact CE1-CD1 3.44Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.44Å; Y393-L397 HydrophobicContact CE1-CG 4.17Å; Y393-L397 HydrophobicContact CE2-CD1 4.28Å; Y393-L397 HydrophobicContact CE2-CD2 4.31Å; Y393-L397 HydrophobicContact CE2-CG 4.11Å; Y393-L397 HydrophobicContact CG-CD1 4.45Å; Y393-L397 WeakPolarHBondContact O-CG 3.36Å; Y393-L397 PolarHBondContact O-N 2.79Å |
| 394 | R | 87.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 177.1 | -68.4 | 172.2 | 63.5 | -167.9 | -6.2 | 112.4 | I384 S389 G390 L391 H392 L397 L398 D430 | I384-R394 PolarHBondContact O-NE 3.07Å; I384-R394 PolarHBondContact O-NH2 3.14Å; S389-R394 VanDerWaalsContact O-CD 3.31Å; S389-R394 WeakPolarHBondContact O-CD 3.43Å; G390-R394 PolarHBondContact O-N 3.44Å; G390-R394 VanDerWaalsContact O-N 3.09Å; L391-R394 PolarHBondContact O-N 2.98Å; H392-R394 VanDerWaalsContact C-N 3.35Å; H392-R394 PolarHBondContact O-N 3.3Å; R394-L397 PolarHBondContact O-N 3.28Å; R394-L398 PolarHBondContact O-N 3.5Å; R394-D430 PolarHBondContact NH2-O 3.1Å |
| 395 | N | 86.1 | Confident | 85.1 | Confident | 25 Ų | 25 | 42.1 Ų | 42.1 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.2 | -42.3 | 175.4 | -70.9 | -19.1 | 0 | 0 | 0 | 111.2 | L391 H392 L398 S399 I432 R433 N434 | L391-N395 VanDerWaalsContact O-CG 3.28Å; L391-N395 PolarHBondContact O-N 3.03Å; L391-N395 PolarHBondContact O-ND2 3.28Å; H392-N395 PolarHBondContact O-N 3.36Å; N395-L398 PolarHBondContact O-N 2.86Å; N395-S399 PolarHBondContact O-N 3.01Å; N395-S399 PolarHBondContact O-OG 3.15Å; N395-S399 VanDerWaalsContact O-OG 3.13Å; N395-I432 WeakPolarHBondContact OD1-CA 2.93Å; N395-I432 WeakPolarHBondContact OD1-CG2 3.4Å; N395-R433 PolarHBondContact OD1-N 3Å; N395-N434 PolarHBondContact O-ND2 2.96Å |
| 396 | E | 87.9 | Confident | 85.6 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 35% | 0.35 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 177.4 | -170.8 | 62.5 | -164.9 | 0 | 0 | 111.4 | L358 L361 H392 Y393 L398 S399 K400 | L358-E396 HydrophobicContact CD2-CB 4.33Å; L358-E396 HydrophobicContact CD2-CG 3.72Å; L361-E396 HydrophobicContact CD2-CG 4.44Å; H392-E396 PolarHBondContact O-N 3.13Å; Y393-E396 PolarHBondContact O-N 3.23Å; E396-L398 PolarHBondContact O-N 3.22Å; E396-S399 PolarHBondContact O-N 3.35Å; E396-K400 VanDerWaalsContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.41Å; E396-K400 PolarHBondContact O-N 3.22Å |
| 397 | L | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 173.3 | -76.1 | 171.7 | 0 | 0 | 0 | 111.9 | L361 L380 H383 I384 Y393 R394 K400 V401 | L361-L397 HydrophobicContact CD1-CD2 3.78Å; L361-L397 HydrophobicContact CD2-CD2 3.74Å; L361-L397 HydrophobicContact CD2-CG 4.42Å; L361-L397 HydrophobicContact CG-CD2 4.33Å; L380-L397 HydrophobicContact CD2-CD2 3.74Å; H383-L397 HydrophobicContact CB-CD1 3.7Å; I384-L397 HydrophobicContact CD1-CB 3.88Å; I384-L397 HydrophobicContact CG1-CB 3.48Å; I384-L397 VanDerWaalsContact CG1-CB 3.48Å; I384-L397 HydrophobicContact CG1-CD1 3.95Å; I384-L397 HydrophobicContact CG1-CG 4.36Å; Y393-L397 HydrophobicContact CD1-CD1 3.86Å; Y393-L397 HydrophobicContact CD2-CG 4.49Å; Y393-L397 HydrophobicContact CE1-CD1 3.44Å; Y393-L397 VanDerWaalsContact CE1-CD1 3.44Å; Y393-L397 HydrophobicContact CE1-CG 4.17Å; Y393-L397 HydrophobicContact CE2-CD1 4.28Å; Y393-L397 HydrophobicContact CE2-CD2 4.31Å; Y393-L397 HydrophobicContact CE2-CG 4.11Å; Y393-L397 HydrophobicContact CG-CD1 4.45Å; Y393-L397 WeakPolarHBondContact O-CG 3.36Å; Y393-L397 PolarHBondContact O-N 2.79Å; R394-L397 PolarHBondContact O-N 3.28Å; L397-K400 PolarHBondContact O-N 2.78Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.29Å |
| 398 | L | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -52 | 176.6 | -177.7 | 158.1 | 0 | 0 | 0 | 110.9 | R394 N395 E396 K400 V401 V402 L426 I432 N434 L437 L438 | R394-L398 PolarHBondContact O-N 3.5Å; N395-L398 PolarHBondContact O-N 2.86Å; E396-L398 PolarHBondContact O-N 3.22Å; L398-K400 PolarHBondContact O-N 3.1Å; L398-V401 PolarHBondContact O-N 3.4Å; L398-V401 VanDerWaalsContact O-N 3.09Å; L398-V402 HydrophobicContact CD2-CG2 3.95Å; L398-V402 PolarHBondContact O-N 2.91Å; L398-L426 HydrophobicContact CB-CD2 4.5Å; L398-L426 HydrophobicContact CD1-CB 4.12Å; L398-L426 HydrophobicContact CD1-CD2 4.01Å; L398-L426 HydrophobicContact CD1-CG 4.45Å; L398-L426 HydrophobicContact CG-CD1 4.23Å; L398-L426 HydrophobicContact CG-CD2 4.08Å; L398-I432 HydrophobicContact CB-CG2 4.5Å; L398-I432 HydrophobicContact CD1-CB 4.49Å; L398-I432 HydrophobicContact CD1-CD1 3.97Å; L398-I432 HydrophobicContact CD1-CG2 3.47Å; L398-I432 VanDerWaalsContact CD1-CG2 3.47Å; L398-N434 HydrophobicContact CD1-CB 4.3Å; L398-N434 HydrophobicContact CD2-CB 3.59Å; L398-L437 HydrophobicContact CD2-CD2 4.04Å; L398-L438 HydrophobicContact CD1-CD1 4.1Å; L398-L438 HydrophobicContact CD1-CD2 4.27Å; L398-L438 HydrophobicContact CD1-CG 4.37Å; L398-L438 HydrophobicContact CD2-CD2 4.12Å; L398-L438 HydrophobicContact CD2-CG 4.44Å |
| 399 | S | 91.6 | Very high | 88 | Confident | 38 Ų | 38 | 41.4 Ų | 41.4 | 27% | 0.266 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.3 | -40.3 | 178.4 | -64.9 | 0 | 0 | 0 | 0 | 110.9 | N395 E396 Y403 N434 | N395-S399 PolarHBondContact O-N 3.01Å; N395-S399 PolarHBondContact O-OG 3.15Å; N395-S399 VanDerWaalsContact O-OG 3.13Å; E396-S399 PolarHBondContact O-N 3.35Å; S399-Y403 VanDerWaalsContact O-CB 3.23Å; S399-Y403 WeakPolarHBondContact O-CB 3.35Å; S399-Y403 PolarHBondContact O-N 2.68Å; S399-N434 PolarHBondContact OG-ND2 3.48Å |
| 400 | K | 92 | Very high | 89 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 177 | -153.2 | 86.8 | 179.2 | -171.8 | 0 | 112.8 | L361 D362 E396 L397 L398 Y403 I404 | L361-K400 HydrophobicContact CD1-CB 4.13Å; L361-K400 HydrophobicContact CD1-CG 3.86Å; L361-K400 HydrophobicContact CD2-CB 3.93Å; L361-K400 HydrophobicContact CD2-CD 4.33Å; L361-K400 HydrophobicContact CD2-CG 4.04Å; L361-K400 HydrophobicContact CG-CB 4.19Å; L361-K400 HydrophobicContact CG-CD 4.21Å; L361-K400 HydrophobicContact CG-CG 3.79Å; D362-K400 IonicContact OD1-NZ 3.16Å; D362-K400 PolarHBondContact OD1-NZ 2.95Å; E396-K400 VanDerWaalsContact O-CB 3.32Å; E396-K400 WeakPolarHBondContact O-CB 3.41Å; E396-K400 PolarHBondContact O-N 3.22Å; L397-K400 PolarHBondContact O-N 2.78Å; L398-K400 PolarHBondContact O-N 3.1Å; K400-Y403 PolarHBondContact O-N 3.24Å; K400-I404 HydrophobicContact CG-CD1 3.94Å; K400-I404 HydrophobicContact CG-CG1 4.36Å; K400-I404 WeakPolarHBondContact O-CB 3.38Å; K400-I404 WeakPolarHBondContact O-CD1 3.38Å; K400-I404 WeakPolarHBondContact O-CG1 3.2Å; K400-I404 PolarHBondContact O-N 3.01Å |
| 401 | V | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 176.8 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | V377 L380 I384 L397 L398 Y403 I404 C405 V422 L426 | V377-V401 HydrophobicContact CG1-CG1 4Å; V377-V401 HydrophobicContact CG2-CG1 4.45Å; L380-V401 HydrophobicContact CB-CG2 3.76Å; L380-V401 HydrophobicContact CD1-CG2 3.67Å; L380-V401 HydrophobicContact CG-CG2 4.37Å; I384-V401 HydrophobicContact CD1-CG2 4.04Å; L397-V401 WeakPolarHBondContact O-CG2 3.46Å; L397-V401 PolarHBondContact O-N 3.29Å; L398-V401 PolarHBondContact O-N 3.4Å; L398-V401 VanDerWaalsContact O-N 3.09Å; V401-Y403 VanDerWaalsContact C-N 3.33Å; V401-Y403 PolarHBondContact O-N 3.18Å; V401-I404 PolarHBondContact O-N 3.05Å; V401-C405 PolarHBondContact O-N 3.49Å; V401-C405 PolarHBondContact O-SG 2.9Å; V401-V422 HydrophobicContact CG1-CG1 4.23Å; V401-L426 HydrophobicContact CG1-CD1 4.13Å |
| 402 | V | 93.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.7 | -49.2 | 176.4 | 169.3 | 0 | 0 | 0 | 0 | 110.3 | L398 I404 C405 S406 L423 L437 L438 Q441 | L398-V402 HydrophobicContact CD2-CG2 3.95Å; L398-V402 PolarHBondContact O-N 2.91Å; V402-I404 PolarHBondContact O-N 2.94Å; V402-C405 PolarHBondContact O-N 3.04Å; V402-S406 WeakPolarHBondContact O-CB 3.45Å; V402-S406 PolarHBondContact O-N 3.12Å; V402-S406 PolarHBondContact O-OG 2.82Å; V402-L423 HydrophobicContact CG2-CD2 4.22Å; V402-L437 HydrophobicContact CB-CD2 4.07Å; V402-L437 HydrophobicContact CB-CG 4.39Å; V402-L437 HydrophobicContact CG1-CD1 3.9Å; V402-L437 HydrophobicContact CG1-CD2 4.07Å; V402-L437 HydrophobicContact CG1-CG 3.93Å; V402-L437 HydrophobicContact CG2-CD2 4.19Å; V402-L437 HydrophobicContact CG2-CG 4.37Å; V402-L438 HydrophobicContact CG2-CD2 4.04Å; V402-Q441 HydrophobicContact CG1-CG 3.5Å; V402-Q441 VanDerWaalsContact CG1-CG 3.5Å |
| 403 | Y | 93.4 | Very high | 90.5 | Very high | 113 Ų | 113 | 39.5 Ų | 39.5 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 179.2 | 179 | -115.2 | 0 | 0 | 0 | 112.1 | H365 S399 K400 V401 C405 S406 Q407 | H365-Y403 AromaticContact CE1-CE1 3.46Å; H365-Y403 VanDerWaalsContact CE1-CE1 3.46Å; H365-Y403 WeakPolarHBondContact CE1-CE1 3.35Å; H365-Y403 AromaticContact ND1-CE1 3.97Å; H365-Y403 AromaticContact NE2-CE1 3.67Å; S399-Y403 VanDerWaalsContact O-CB 3.23Å; S399-Y403 WeakPolarHBondContact O-CB 3.35Å; S399-Y403 PolarHBondContact O-N 2.68Å; K400-Y403 PolarHBondContact O-N 3.24Å; V401-Y403 VanDerWaalsContact C-N 3.33Å; V401-Y403 PolarHBondContact O-N 3.18Å; Y403-C405 VanDerWaalsContact C-N 3.28Å; Y403-C405 PolarHBondContact O-N 3.49Å; Y403-S406 PolarHBondContact O-N 3.1Å; Y403-Q407 HydrophobicContact CD2-CG 4.42Å; Y403-Q407 HydrophobicContact CE1-CG 4.48Å; Y403-Q407 HydrophobicContact CE2-CG 4.3Å; Y403-Q407 WeakPolarHBondContact O-CG 3.46Å; Y403-Q407 PolarHBondContact O-N 3.49Å; Y403-Q407 VanDerWaalsContact O-N 3.11Å; Y403-Q407 PolarHBondContact OH-NE2 3.42Å |
| 404 | I | 92.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 178.1 | -75.1 | 165.6 | 0 | 0 | 0 | 111.3 | H365 V368 L373 L380 K400 V401 V402 | H365-I404 HydrophobicContact CB-CD1 4.15Å; H365-I404 HydrophobicContact CB-CG1 4.09Å; V368-I404 HydrophobicContact CB-CG2 4.15Å; V368-I404 HydrophobicContact CG1-CG2 3.82Å; V368-I404 HydrophobicContact CG2-CD1 4.44Å; V368-I404 HydrophobicContact CG2-CG2 3.61Å; L373-I404 HydrophobicContact CD1-CG2 3.52Å; L380-I404 HydrophobicContact CD1-CD1 4.18Å; K400-I404 HydrophobicContact CG-CD1 3.94Å; K400-I404 HydrophobicContact CG-CG1 4.36Å; K400-I404 WeakPolarHBondContact O-CB 3.38Å; K400-I404 WeakPolarHBondContact O-CD1 3.38Å; K400-I404 WeakPolarHBondContact O-CG1 3.2Å; K400-I404 PolarHBondContact O-N 3.01Å; V401-I404 PolarHBondContact O-N 3.05Å; V402-I404 PolarHBondContact O-N 2.94Å |
| 405 | C | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.3 | -37.6 | -179.7 | -69.5 | 0 | 0 | 0 | 0 | 112.8 | V401 V402 Y403 Y410 V413 Y419 | V401-C405 PolarHBondContact O-N 3.49Å; V401-C405 PolarHBondContact O-SG 2.9Å; V402-C405 PolarHBondContact O-N 3.04Å; Y403-C405 VanDerWaalsContact C-N 3.28Å; Y403-C405 PolarHBondContact O-N 3.49Å; C405-Y410 WeakPolarHBondContact O-CA 3.46Å; C405-Y410 WeakPolarHBondContact O-CD1 3.47Å; C405-V413 HydrophobicContact CB-CG2 4.15Å; C405-V413 WeakPolarHBondContact O-CG2 3.49Å; C405-Y419 HydrophobicContact CB-CD2 3.81Å; C405-Y419 HydrophobicContact CB-CE1 4.39Å; C405-Y419 HydrophobicContact CB-CE2 3.2Å |
| 406 | S | 92.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 45.5 Ų | 45.5 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -84.3 | -9.5 | -175 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | V402 Y403 | V402-S406 WeakPolarHBondContact O-CB 3.45Å; V402-S406 PolarHBondContact O-N 3.12Å; V402-S406 PolarHBondContact O-OG 2.82Å; Y403-S406 PolarHBondContact O-N 3.1Å |
| 407 | Q | 88.4 | Confident | 91.7 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.1 | 143.8 | -179.8 | -73.5 | -116 | 36.8 | 0 | 0 | 113.8 | H365 Y403 N409 Y410 R411 | H365-Q407 PolarHBondContact CE1-NE2 3.15Å; H365-Q407 PolarHBondContact NE2-NE2 3.41Å; Y403-Q407 HydrophobicContact CD2-CG 4.42Å; Y403-Q407 HydrophobicContact CE1-CG 4.48Å; Y403-Q407 HydrophobicContact CE2-CG 4.3Å; Y403-Q407 WeakPolarHBondContact O-CG 3.46Å; Y403-Q407 PolarHBondContact O-N 3.49Å; Y403-Q407 VanDerWaalsContact O-N 3.11Å; Y403-Q407 PolarHBondContact OH-NE2 3.42Å; Q407-N409 PolarHBondContact O-N 3.33Å; Q407-N409 VanDerWaalsContact O-N 3.16Å; Q407-Y410 PolarHBondContact O-N 2.91Å; Q407-R411 PolarHBondContact O-N 3.19Å |
| 408 | D | 86.3 | Confident | 91.9 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 60% | 0.599 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | 47.8 | 41.6 | 177.2 | -64 | -28.9 | 0 | 0 | 0 | 113.4 | R411 | D408-R411 HydrophobicContact CB-CB 3.78Å |
| 409 | N | 89.6 | Confident | 92.1 | Very high | 124 Ų | 124 | 48.7 Ų | 48.7 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | 56.3 | 51.8 | -174.6 | -59.5 | -43.8 | 0 | 0 | 0 | 113 | Q407 R411 | Q407-N409 PolarHBondContact O-N 3.33Å; Q407-N409 VanDerWaalsContact O-N 3.16Å; N409-R411 VanDerWaalsContact C-N 3.31Å; N409-R411 PolarHBondContact O-N 3.3Å |
| 410 | Y | 92.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | 65.7 | 27.7 | 176.8 | -49.9 | -82.5 | 0 | 0 | 0 | 114.7 | C405 Q407 N412 V413 F416 Y419 Q441 D444 V445 | C405-Y410 WeakPolarHBondContact O-CA 3.46Å; C405-Y410 WeakPolarHBondContact O-CD1 3.47Å; Q407-Y410 PolarHBondContact O-N 2.91Å; Y410-N412 PolarHBondContact O-N 3.44Å; Y410-V413 HydrophobicContact CD1-CG2 4.26Å; Y410-V413 PolarHBondContact O-N 3.03Å; Y410-F416 AromaticContact CD1-CE1 3.95Å; Y410-F416 HydrophobicContact CD1-CE1 3.95Å; Y410-F416 HydrophobicContact CD2-CE1 4.07Å; Y410-F416 HydrophobicContact CD2-CZ 4.33Å; Y410-F416 AromaticContact CG-CE1 3.64Å; Y410-F416 HydrophobicContact CG-CE1 3.64Å; Y410-F416 AromaticContact CG-CZ 3.99Å; Y410-F416 HydrophobicContact CG-CZ 3.99Å; Y410-Y419 HydrophobicContact CD1-CD1 4.5Å; Y410-Y419 HydrophobicContact CD1-CE1 4.08Å; Y410-Y419 HydrophobicContact CE1-CD1 4.36Å; Y410-Y419 AromaticContact CE1-CE1 3.61Å; Y410-Y419 HydrophobicContact CE1-CE1 3.61Å; Y410-Q441 PolarHBondContact OH-OE1 2.93Å; Y410-D444 VanDerWaalsContact CE2-OD2 3.3Å; Y410-D444 WeakPolarHBondContact CE2-OD2 3.28Å; Y410-D444 PolarHBondContact OH-OD2 2.84Å; Y410-V445 HydrophobicContact CE1-CG2 4.06Å |
| 411 | R | 90.3 | Very high | 92.5 | Very high | 161 Ų | 161 | 47.9 Ų | 47.9 | 61% | 0.608 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | -36.6 | -176.2 | 177.2 | 178.2 | -178.6 | 152.5 | 5.1 | 114.1 | K370 Q407 D408 N409 | K370-R411 WeakPolarHBondContact CE-O 3.49Å; Q407-R411 PolarHBondContact O-N 3.19Å; D408-R411 HydrophobicContact CB-CB 3.78Å; N409-R411 VanDerWaalsContact C-N 3.31Å; N409-R411 PolarHBondContact O-N 3.3Å |
| 412 | N | 89.3 | Confident | 92.5 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -15.2 | -175.9 | -69.8 | -37.5 | 0 | 0 | 0 | 114 | V368 L373 Y410 T414 | V368-N412 HydrophobicContact CG1-CB 4.35Å; L373-N412 HydrophobicContact CD2-CB 4.02Å; L373-N412 WeakPolarHBondContact CD2-O 3.5Å; Y410-N412 PolarHBondContact O-N 3.44Å; N412-T414 PolarHBondContact O-N 2.85Å |
| 413 | V | 92.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 48.1 Ų | 48.1 | 9% | 0.085 | 24% | 0.239 | C | C | . | . | trans | -77.6 | 122.2 | -178.5 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | L373 C405 Y410 S415 F416 | L373-V413 HydrophobicContact CD2-CB 4.5Å; L373-V413 HydrophobicContact CD2-CG2 3.97Å; C405-V413 HydrophobicContact CB-CG2 4.15Å; C405-V413 WeakPolarHBondContact O-CG2 3.49Å; Y410-V413 HydrophobicContact CD1-CG2 4.26Å; Y410-V413 PolarHBondContact O-N 3.03Å; V413-S415 WeakPolarHBondContact CG1-O 3.41Å; V413-F416 HydrophobicContact CG1-CD1 4.19Å; V413-F416 HydrophobicContact CG1-CE1 4.31Å; V413-F416 HydrophobicContact CG1-CG 4.38Å | ||
| 414 | T | 89.8 | Confident | 92.4 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -98.1 | -31.4 | 179.5 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | K370 M374 N412 | K370-T414 HydrophobicContact CB-CG2 4.39Å; M374-T414 WeakPolarHBondContact CE-OG1 3.45Å; N412-T414 PolarHBondContact O-N 2.85Å |
| 415 | S | 92.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 27% | 0.266 | 25% | 0.245 | S | C | . | . | trans | -127.6 | 116.5 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 109.5 | V413 W418 Y419 | V413-S415 WeakPolarHBondContact CG1-O 3.41Å; S415-W418 PolarHBondContact OG-N 3.46Å; S415-Y419 PolarHBondContact O-N 3.4Å | ||
| 416 | F | 94.4 | Very high | 92 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -75.3 | -26.5 | 175.1 | -75 | -82.6 | 0 | 0 | 0 | 112.1 | Y410 V413 W418 Y419 V420 V445 V449 V452 | Y410-F416 AromaticContact CD1-CE1 3.95Å; Y410-F416 HydrophobicContact CD1-CE1 3.95Å; Y410-F416 HydrophobicContact CD2-CE1 4.07Å; Y410-F416 HydrophobicContact CD2-CZ 4.33Å; Y410-F416 AromaticContact CG-CE1 3.64Å; Y410-F416 HydrophobicContact CG-CE1 3.64Å; Y410-F416 AromaticContact CG-CZ 3.99Å; Y410-F416 HydrophobicContact CG-CZ 3.99Å; V413-F416 HydrophobicContact CG1-CD1 4.19Å; V413-F416 HydrophobicContact CG1-CE1 4.31Å; V413-F416 HydrophobicContact CG1-CG 4.38Å; F416-W418 VanDerWaalsContact C-N 3.35Å; F416-Y419 HydrophobicContact CD1-CD1 4.47Å; F416-Y419 PolarHBondContact O-N 2.91Å; F416-V420 VanDerWaalsContact O-CG2 3.23Å; F416-V420 WeakPolarHBondContact O-CG2 3.25Å; F416-V420 PolarHBondContact O-N 3.24Å; F416-V445 HydrophobicContact CB-CG1 4.45Å; F416-V445 HydrophobicContact CD1-CG1 3.87Å; F416-V445 HydrophobicContact CD1-CG2 4.49Å; F416-V449 HydrophobicContact CD1-CG2 4.01Å; F416-V449 HydrophobicContact CD2-CG1 4.01Å; F416-V449 HydrophobicContact CD2-CG2 3.9Å; F416-V449 HydrophobicContact CE1-CG2 3.9Å; F416-V449 HydrophobicContact CE2-CG1 4.49Å; F416-V449 HydrophobicContact CE2-CG2 3.8Å; F416-V449 HydrophobicContact CG-CG1 4.32Å; F416-V449 HydrophobicContact CG-CG2 4Å; F416-V449 HydrophobicContact CZ-CG2 3.79Å; F416-V452 HydrophobicContact CB-CB 4.19Å; F416-V452 HydrophobicContact CB-CG1 4.03Å; F416-V452 HydrophobicContact CB-CG2 3.81Å |
| 417 | E | 95.7 | Very high | 91.7 | Very high | 97 Ų | 97 | 47.3 Ų | 47.3 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 171.7 | -66 | 176.9 | 177.1 | 0 | 0 | 110.3 | Y419 V420 T421 V452 F455 | E417-Y419 VanDerWaalsContact C-N 3.32Å; E417-Y419 PolarHBondContact O-N 3.45Å; E417-V420 PolarHBondContact O-N 2.96Å; E417-T421 PolarHBondContact O-N 2.96Å; E417-T421 PolarHBondContact O-OG1 3.42Å; E417-V452 HydrophobicContact CG-CG1 3.94Å; E417-V452 HydrophobicContact CG-CG2 4.12Å; E417-F455 HydrophobicContact CB-CD1 3.88Å; E417-F455 HydrophobicContact CB-CE1 3.8Å; E417-F455 HydrophobicContact CB-CG 4.36Å; E417-F455 HydrophobicContact CB-CZ 4.21Å; E417-F455 HydrophobicContact CG-CB 4.31Å; E417-F455 HydrophobicContact CG-CD1 3.83Å; E417-F455 HydrophobicContact CG-CD2 4.47Å; E417-F455 HydrophobicContact CG-CE1 4.26Å; E417-F455 HydrophobicContact CG-CG 3.94Å; E417-F455 VanDerWaalsContact O-CE1 3.31Å; E417-F455 WeakPolarHBondContact O-CE1 3.41Å |
| 418 | W | 95 | Very high | 91.5 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 17% | 0.17 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.1 | 167.2 | 73.8 | 0 | 0 | 0 | 112.1 | L373 M374 V377 S415 F416 V420 T421 V422 | L373-W418 HydrophobicContact CD2-CH2 4.41Å; L373-W418 HydrophobicContact CD2-CZ3 4.07Å; L373-W418 HydrophobicContact CG-CH2 4.14Å; L373-W418 HydrophobicContact CG-CZ3 4.29Å; M374-W418 HydrophobicContact CB-CH2 4.36Å; M374-W418 HydrophobicContact CB-CZ2 4.01Å; M374-W418 HydrophobicContact CE-CB 4.23Å; M374-W418 HydrophobicContact CE-CD2 3.86Å; M374-W418 HydrophobicContact CE-CE3 3.91Å; M374-W418 HydrophobicContact CE-CG 3.99Å; M374-W418 HydrophobicContact CG-CD2 3.94Å; M374-W418 HydrophobicContact CG-CE3 4.05Å; M374-W418 HydrophobicContact CG-CH2 3.91Å; M374-W418 HydrophobicContact CG-CZ2 3.8Å; M374-W418 HydrophobicContact CG-CZ3 4.04Å; M374-W418 HydrophobicContact SD-CD2 4.43Å; V377-W418 HydrophobicContact CB-CH2 3.99Å; V377-W418 HydrophobicContact CB-CZ2 3.99Å; V377-W418 HydrophobicContact CG1-CH2 4.07Å; V377-W418 HydrophobicContact CG1-CZ2 3.91Å; V377-W418 HydrophobicContact CG2-CH2 4.11Å; S415-W418 PolarHBondContact OG-N 3.46Å; F416-W418 VanDerWaalsContact C-N 3.35Å; W418-V420 PolarHBondContact O-N 3.08Å; W418-T421 WeakPolarHBondContact O-CB 3.4Å; W418-T421 PolarHBondContact O-N 3.33Å; W418-V422 HydrophobicContact CD2-CG2 4.33Å; W418-V422 HydrophobicContact CH2-CG2 4.44Å; W418-V422 HydrophobicContact CZ2-CG2 3.78Å; W418-V422 WeakPolarHBondContact O-CG2 3.36Å; W418-V422 PolarHBondContact O-N 3.44Å |
| 419 | Y | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.6 | -39.3 | -179.5 | -178.9 | -130.9 | 0 | 0 | 0 | 112.3 | C405 Y410 S415 F416 E417 T421 V422 L423 Q441 V445 | C405-Y419 HydrophobicContact CB-CD2 3.81Å; C405-Y419 HydrophobicContact CB-CE1 4.39Å; C405-Y419 HydrophobicContact CB-CE2 3.2Å; Y410-Y419 HydrophobicContact CD1-CD1 4.5Å; Y410-Y419 HydrophobicContact CD1-CE1 4.08Å; Y410-Y419 HydrophobicContact CE1-CD1 4.36Å; Y410-Y419 AromaticContact CE1-CE1 3.61Å; Y410-Y419 HydrophobicContact CE1-CE1 3.61Å; S415-Y419 PolarHBondContact O-N 3.4Å; F416-Y419 HydrophobicContact CD1-CD1 4.47Å; F416-Y419 PolarHBondContact O-N 2.91Å; E417-Y419 VanDerWaalsContact C-N 3.32Å; E417-Y419 PolarHBondContact O-N 3.45Å; Y419-T421 VanDerWaalsContact C-N 3.33Å; Y419-T421 PolarHBondContact O-N 3.06Å; Y419-V422 WeakPolarHBondContact O-CB 3.47Å; Y419-V422 PolarHBondContact O-N 2.98Å; Y419-L423 HydrophobicContact CD1-CD1 4.24Å; Y419-L423 HydrophobicContact CD2-CG 4.39Å; Y419-L423 HydrophobicContact CE1-CD1 3.82Å; Y419-L423 HydrophobicContact CE1-CG 4.37Å; Y419-L423 HydrophobicContact CE2-CD1 4.34Å; Y419-L423 HydrophobicContact CE2-CD2 3.97Å; Y419-L423 HydrophobicContact CE2-CG 4Å; Y419-L423 WeakPolarHBondContact O-CG 3.49Å; Y419-L423 PolarHBondContact O-N 3.06Å; Y419-Q441 PolarHBondContact OH-OE1 3.27Å; Y419-V445 HydrophobicContact CD1-CG2 3.89Å; Y419-V445 HydrophobicContact CE1-CG2 3.7Å |
| 420 | V | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 174 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | F416 E417 W418 V422 L423 V424 V445 V452 F455 C456 Q459 | F416-V420 VanDerWaalsContact O-CG2 3.23Å; F416-V420 WeakPolarHBondContact O-CG2 3.25Å; F416-V420 PolarHBondContact O-N 3.24Å; E417-V420 PolarHBondContact O-N 2.96Å; W418-V420 PolarHBondContact O-N 3.08Å; V420-V422 VanDerWaalsContact C-N 3.32Å; V420-V422 PolarHBondContact O-N 3.49Å; V420-L423 PolarHBondContact O-N 2.92Å; V420-L423 VanDerWaalsContact O-N 3.17Å; V420-V424 HydrophobicContact CG1-CG2 4.44Å; V420-V424 WeakPolarHBondContact O-CG2 3.23Å; V420-V424 PolarHBondContact O-N 3.12Å; V420-V445 HydrophobicContact CG2-CG1 3.94Å; V420-V452 HydrophobicContact CG2-CG1 4.36Å; V420-F455 HydrophobicContact CB-CD1 4.44Å; V420-F455 HydrophobicContact CB-CE1 4.15Å; V420-F455 HydrophobicContact CG1-CD1 4.36Å; V420-F455 HydrophobicContact CG1-CE1 4.12Å; V420-C456 VanDerWaalsContact CG2-SG 3.51Å; V420-Q459 HydrophobicContact CG1-CB 4.25Å; V420-Q459 HydrophobicContact CG1-CG 4.24Å |
| 421 | T | 94.8 | Very high | 89.3 | Confident | 45 Ų | 45 | 45.3 Ų | 45.3 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | E417 W418 Y419 L423 V424 E425 | E417-T421 PolarHBondContact O-N 2.96Å; E417-T421 PolarHBondContact O-OG1 3.42Å; W418-T421 WeakPolarHBondContact O-CB 3.4Å; W418-T421 PolarHBondContact O-N 3.33Å; Y419-T421 VanDerWaalsContact C-N 3.33Å; Y419-T421 PolarHBondContact O-N 3.06Å; T421-L423 PolarHBondContact O-N 2.9Å; T421-V424 PolarHBondContact O-N 3.38Å; T421-E425 WeakPolarHBondContact O-CG 3.44Å; T421-E425 PolarHBondContact O-N 3.04Å |
| 422 | V | 94 | Very high | 88.4 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V377 M381 V401 W418 Y419 V420 V424 E425 L426 | V377-V422 HydrophobicContact CG1-CG1 3.95Å; V377-V422 HydrophobicContact CG1-CG2 4.25Å; M381-V422 HydrophobicContact SD-CG1 4.12Å; V401-V422 HydrophobicContact CG1-CG1 4.23Å; W418-V422 HydrophobicContact CD2-CG2 4.33Å; W418-V422 HydrophobicContact CH2-CG2 4.44Å; W418-V422 HydrophobicContact CZ2-CG2 3.78Å; W418-V422 WeakPolarHBondContact O-CG2 3.36Å; W418-V422 PolarHBondContact O-N 3.44Å; Y419-V422 WeakPolarHBondContact O-CB 3.47Å; Y419-V422 PolarHBondContact O-N 2.98Å; V420-V422 VanDerWaalsContact C-N 3.32Å; V420-V422 PolarHBondContact O-N 3.49Å; V422-V424 PolarHBondContact O-N 3.34Å; V422-E425 PolarHBondContact O-N 3.37Å; V422-L426 HydrophobicContact CG1-CD1 4.04Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 VanDerWaalsContact O-CG 3.26Å; V422-L426 WeakPolarHBondContact O-CG 3.42Å; V422-L426 PolarHBondContact O-N 2.77Å |
| 423 | L | 93.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.7 | -67.9 | 176.1 | 0 | 0 | 0 | 112.5 | V402 Y419 V420 T421 L426 A427 L438 Q441 L442 | V402-L423 HydrophobicContact CG2-CD2 4.22Å; Y419-L423 HydrophobicContact CD1-CD1 4.24Å; Y419-L423 HydrophobicContact CD2-CG 4.39Å; Y419-L423 HydrophobicContact CE1-CD1 3.82Å; Y419-L423 HydrophobicContact CE1-CG 4.37Å; Y419-L423 HydrophobicContact CE2-CD1 4.34Å; Y419-L423 HydrophobicContact CE2-CD2 3.97Å; Y419-L423 HydrophobicContact CE2-CG 4Å; Y419-L423 WeakPolarHBondContact O-CG 3.49Å; Y419-L423 PolarHBondContact O-N 3.06Å; V420-L423 PolarHBondContact O-N 2.92Å; V420-L423 VanDerWaalsContact O-N 3.17Å; T421-L423 PolarHBondContact O-N 2.9Å; L423-L426 PolarHBondContact O-N 3.15Å; L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.21Å; L423-L438 HydrophobicContact CD2-CD2 3.84Å; L423-Q441 HydrophobicContact CD1-CB 4.15Å; L423-Q441 HydrophobicContact CD2-CB 4.36Å; L423-L442 HydrophobicContact CB-CD2 3.81Å; L423-L442 HydrophobicContact CB-CG 4.21Å; L423-L442 HydrophobicContact CD1-CD2 3.84Å; L423-L442 HydrophobicContact CD1-CG 4.1Å |
| 424 | V | 90.9 | Very high | 87.1 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 11% | 0.109 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69 | -42.3 | 177 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | V420 T421 V422 L426 A427 S428 Q459 M460 | V420-V424 HydrophobicContact CG1-CG2 4.44Å; V420-V424 WeakPolarHBondContact O-CG2 3.23Å; V420-V424 PolarHBondContact O-N 3.12Å; T421-V424 PolarHBondContact O-N 3.38Å; V422-V424 PolarHBondContact O-N 3.34Å; V424-L426 VanDerWaalsContact C-N 3.35Å; V424-L426 PolarHBondContact O-N 2.75Å; V424-A427 PolarHBondContact O-N 3.02Å; V424-S428 PolarHBondContact O-N 3.03Å; V424-S428 VanDerWaalsContact O-N 3.13Å; V424-S428 PolarHBondContact O-OG 2.93Å; V424-Q459 HydrophobicContact CG2-CB 4.32Å; V424-M460 HydrophobicContact CG2-CE 3.4Å |
| 425 | E | 89.5 | Confident | 86.7 | Confident | 102 Ų | 102 | 42.5 Ų | 42.5 | 48% | 0.477 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -46 | 173.2 | -75.4 | -179.3 | -166.7 | 0 | 0 | 110.9 | M381 T421 V422 A427 S428 I429 | M381-E425 HydrophobicContact CE-CB 3.66Å; T421-E425 WeakPolarHBondContact O-CG 3.44Å; T421-E425 PolarHBondContact O-N 3.04Å; V422-E425 PolarHBondContact O-N 3.37Å; E425-A427 VanDerWaalsContact C-N 3.3Å; E425-A427 PolarHBondContact O-N 3.47Å; E425-S428 WeakPolarHBondContact O-CB 3.2Å; E425-S428 PolarHBondContact O-N 2.96Å; E425-S428 VanDerWaalsContact O-N 3.08Å; E425-I429 WeakPolarHBondContact O-CG1 3.2Å; E425-I429 PolarHBondContact O-N 2.87Å |
| 426 | L | 89.7 | Confident | 86.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -38.5 | 176.2 | -76.3 | 172.3 | 0 | 0 | 0 | 113 | M381 I384 L398 V401 V422 L423 V424 S428 I429 L438 | M381-L426 HydrophobicContact CE-CD2 3.96Å; M381-L426 HydrophobicContact CE-CG 3.96Å; M381-L426 HydrophobicContact SD-CD1 4.38Å; M381-L426 HydrophobicContact SD-CD2 3.42Å; M381-L426 WeakPolarHBondContact SD-CD2 3.32Å; M381-L426 HydrophobicContact SD-CG 3.71Å; I384-L426 HydrophobicContact CD1-CD2 3.78Å; I384-L426 HydrophobicContact CG2-CD2 4.14Å; L398-L426 HydrophobicContact CB-CD2 4.5Å; L398-L426 HydrophobicContact CD1-CB 4.12Å; L398-L426 HydrophobicContact CD1-CD2 4.01Å; L398-L426 HydrophobicContact CD1-CG 4.45Å; L398-L426 HydrophobicContact CG-CD1 4.23Å; L398-L426 HydrophobicContact CG-CD2 4.08Å; V401-L426 HydrophobicContact CG1-CD1 4.13Å; V422-L426 HydrophobicContact CG1-CD1 4.04Å; V422-L426 HydrophobicContact CG1-CG 4.44Å; V422-L426 WeakPolarHBondContact O-CB 3.41Å; V422-L426 VanDerWaalsContact O-CG 3.26Å; V422-L426 WeakPolarHBondContact O-CG 3.42Å; V422-L426 PolarHBondContact O-N 2.77Å; L423-L426 PolarHBondContact O-N 3.15Å; V424-L426 VanDerWaalsContact C-N 3.35Å; V424-L426 PolarHBondContact O-N 2.75Å; L426-S428 PolarHBondContact O-N 3.32Å; L426-I429 HydrophobicContact CD2-CD1 4.4Å; L426-I429 PolarHBondContact O-N 2.73Å; L426-L438 HydrophobicContact CB-CD1 4.19Å; L426-L438 HydrophobicContact CB-CD2 4.05Å; L426-L438 HydrophobicContact CD1-CD2 4.19Å |
| 427 | A | 85.8 | Confident | 86.3 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 7% | 0.066 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L423 V424 E425 I429 L438 T482 | L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.21Å; V424-A427 PolarHBondContact O-N 3.02Å; E425-A427 VanDerWaalsContact C-N 3.3Å; E425-A427 PolarHBondContact O-N 3.47Å; A427-I429 VanDerWaalsContact C-N 3.34Å; A427-L438 HydrophobicContact CB-CD1 3.96Å; A427-T482 HydrophobicContact CB-CG2 3.57Å |
| 428 | S | 84.3 | Confident | 86.2 | Confident | 52 Ų | 52 | 41.9 Ų | 41.9 | 36% | 0.364 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.7 | -179.1 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | V424 E425 L426 | V424-S428 PolarHBondContact O-N 3.03Å; V424-S428 VanDerWaalsContact O-N 3.13Å; V424-S428 PolarHBondContact O-OG 2.93Å; E425-S428 WeakPolarHBondContact O-CB 3.2Å; E425-S428 PolarHBondContact O-N 2.96Å; E425-S428 VanDerWaalsContact O-N 3.08Å; L426-S428 PolarHBondContact O-N 3.32Å |
| 429 | I | 81 | Confident | 86 | Confident | 37 Ų | 37 | 39.8 Ų | 39.8 | 19% | 0.19 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -82.4 | 122.5 | -178.3 | -62.8 | 170.3 | 0 | 0 | 0 | 110.6 | I384 E425 L426 A427 I432 | I384-I429 HydrophobicContact CB-CD1 4.47Å; I384-I429 HydrophobicContact CG2-CD1 3.67Å; E425-I429 WeakPolarHBondContact O-CG1 3.2Å; E425-I429 PolarHBondContact O-N 2.87Å; L426-I429 HydrophobicContact CD2-CD1 4.4Å; L426-I429 PolarHBondContact O-N 2.73Å; A427-I429 VanDerWaalsContact C-N 3.34Å; I429-I432 HydrophobicContact CB-CD1 3.66Å; I429-I432 HydrophobicContact CB-CG1 4.44Å; I429-I432 HydrophobicContact CD1-CD1 4.39Å; I429-I432 HydrophobicContact CG2-CD1 3.56Å; I429-I432 HydrophobicContact CG2-CG1 4.05Å |
| 430 | D | 71.6 | Confident | 85.9 | Confident | 113 Ų | 113 | 42.4 Ų | 42.4 | 60% | 0.604 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 140.2 | -179.3 | -72 | -36.2 | 0 | 0 | 0 | 113.9 | R394 | R394-D430 PolarHBondContact NH2-O 3.1Š|
| 431 | G | 69.9 | Low | 85.8 | Confident | 45 Ų | 45 | 43.6 Ų | 43.6 | 46% | 0.464 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -9.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | L391 | L391-G431 WeakPolarHBondContact CD1-O 3.34Š|
| 432 | I | 71 | Confident | 85.8 | Confident | 11 Ų | 11 | 41.5 Ų | 41.5 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -70.7 | 144.2 | -179.7 | -58.4 | 178.5 | 0 | 0 | 0 | 110.5 | I384 N395 L398 I429 N434 A478 | I384-I432 HydrophobicContact CG2-CD1 3.72Å; N395-I432 WeakPolarHBondContact OD1-CA 2.93Å; N395-I432 WeakPolarHBondContact OD1-CG2 3.4Å; L398-I432 HydrophobicContact CB-CG2 4.5Å; L398-I432 HydrophobicContact CD1-CB 4.49Å; L398-I432 HydrophobicContact CD1-CD1 3.97Å; L398-I432 HydrophobicContact CD1-CG2 3.47Å; L398-I432 VanDerWaalsContact CD1-CG2 3.47Å; I429-I432 HydrophobicContact CB-CD1 3.66Å; I429-I432 HydrophobicContact CB-CG1 4.44Å; I429-I432 HydrophobicContact CD1-CD1 4.39Å; I429-I432 HydrophobicContact CG2-CD1 3.56Å; I429-I432 HydrophobicContact CG2-CG1 4.05Å; I432-N434 HydrophobicContact CG2-CB 4.16Å; I432-A478 WeakPolarHBondContact O-CB 3.46Å | ||
| 433 | R | 75.4 | Confident | 85.9 | Confident | 194 Ų | 194 | 42.7 Ų | 42.7 | 73% | 0.732 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -104.6 | 16.5 | -174.4 | -68.7 | -177.6 | 170.1 | -96.7 | 0.3 | 115 | N395 | N395-R433 PolarHBondContact OD1-N 3Š|
| 434 | N | 78.4 | Confident | 86 | Confident | 33 Ų | 33 | 45 Ų | 45 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | trans | -110 | 34.9 | -170.7 | -66.4 | -30.2 | 0 | 0 | 0 | 113.6 | N395 L398 S399 I432 D436 L437 L438 | N395-N434 PolarHBondContact O-ND2 2.96Å; L398-N434 HydrophobicContact CD1-CB 4.3Å; L398-N434 HydrophobicContact CD2-CB 3.59Å; S399-N434 PolarHBondContact OG-ND2 3.48Å; I432-N434 HydrophobicContact CG2-CB 4.16Å; N434-D436 PolarHBondContact O-N 2.97Å; N434-L437 HydrophobicContact CB-CB 4.32Å; N434-L437 WeakPolarHBondContact O-CB 3.1Å; N434-L437 PolarHBondContact O-N 3.11Å; N434-L438 PolarHBondContact O-N 2.99Å; N434-L438 VanDerWaalsContact O-N 3.14Å | ||
| 435 | G | 82 | Confident | 86.1 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L437 L438 A439 A478 E481 | G435-L437 VanDerWaalsContact C-N 3.32Å; G435-L437 PolarHBondContact O-N 2.79Å; G435-L438 PolarHBondContact O-N 2.81Å; G435-A439 VanDerWaalsContact O-CB 3.28Å; G435-A439 WeakPolarHBondContact O-CB 3.33Å; G435-A439 PolarHBondContact O-N 2.84Å; G435-A478 WeakPolarHBondContact CA-O 2.93Å; G435-E481 VanDerWaalsContact C-CB 3.46Å |
| 436 | D | 88.5 | Confident | 86.4 | Confident | 102 Ų | 102 | 39.3 Ų | 39.3 | 55% | 0.545 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 176.8 | -68.6 | -47.3 | 0 | 0 | 0 | 112.5 | N434 A439 A440 E481 | N434-D436 PolarHBondContact O-N 2.97Å; D436-A439 PolarHBondContact O-N 2.99Å; D436-A440 WeakPolarHBondContact O-CB 3.23Å; D436-A440 PolarHBondContact O-N 2.97Å; D436-E481 WeakPolarHBondContact OD1-CG 3.31Å |
| 437 | L | 90.8 | Very high | 86.5 | Confident | 58 Ų | 58 | 43.4 Ų | 43.4 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -46.7 | 179.2 | 178.7 | 63.4 | 0 | 0 | 0 | 110.6 | L398 V402 N434 G435 Q441 | L398-L437 HydrophobicContact CD2-CD2 4.04Å; V402-L437 HydrophobicContact CB-CD2 4.07Å; V402-L437 HydrophobicContact CB-CG 4.39Å; V402-L437 HydrophobicContact CG1-CD1 3.9Å; V402-L437 HydrophobicContact CG1-CD2 4.07Å; V402-L437 HydrophobicContact CG1-CG 3.93Å; V402-L437 HydrophobicContact CG2-CD2 4.19Å; V402-L437 HydrophobicContact CG2-CG 4.37Å; N434-L437 HydrophobicContact CB-CB 4.32Å; N434-L437 WeakPolarHBondContact O-CB 3.1Å; N434-L437 PolarHBondContact O-N 3.11Å; G435-L437 VanDerWaalsContact C-N 3.32Å; G435-L437 PolarHBondContact O-N 2.79Å; L437-Q441 HydrophobicContact CD1-CG 4.47Å; L437-Q441 WeakPolarHBondContact O-CB 3.29Å; L437-Q441 WeakPolarHBondContact O-CG 3.24Å; L437-Q441 PolarHBondContact O-N 2.78Å; L437-Q441 VanDerWaalsContact O-N 3.09Å |
| 438 | L | 92.3 | Very high | 86.8 | Confident | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177 | -65.4 | 178 | 0 | 0 | 0 | 111.8 | L398 V402 L423 L426 A427 N434 G435 Q441 L442 | L398-L438 HydrophobicContact CD1-CD1 4.1Å; L398-L438 HydrophobicContact CD1-CD2 4.27Å; L398-L438 HydrophobicContact CD1-CG 4.37Å; L398-L438 HydrophobicContact CD2-CD2 4.12Å; L398-L438 HydrophobicContact CD2-CG 4.44Å; V402-L438 HydrophobicContact CG2-CD2 4.04Å; L423-L438 HydrophobicContact CD2-CD2 3.84Å; L426-L438 HydrophobicContact CB-CD1 4.19Å; L426-L438 HydrophobicContact CB-CD2 4.05Å; L426-L438 HydrophobicContact CD1-CD2 4.19Å; A427-L438 HydrophobicContact CB-CD1 3.96Å; N434-L438 PolarHBondContact O-N 2.99Å; N434-L438 VanDerWaalsContact O-N 3.14Å; G435-L438 PolarHBondContact O-N 2.81Å; L438-Q441 PolarHBondContact O-N 2.81Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 2.79Å |
| 439 | A | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G435 D436 Q441 L442 I443 E481 A485 | G435-A439 VanDerWaalsContact O-CB 3.28Å; G435-A439 WeakPolarHBondContact O-CB 3.33Å; G435-A439 PolarHBondContact O-N 2.84Å; D436-A439 PolarHBondContact O-N 2.99Å; A439-Q441 VanDerWaalsContact C-N 3.31Å; A439-Q441 PolarHBondContact O-N 2.91Å; A439-L442 PolarHBondContact O-N 3.02Å; A439-I443 VanDerWaalsContact O-CG1 3.31Å; A439-I443 WeakPolarHBondContact O-CG1 3.17Å; A439-I443 PolarHBondContact O-N 3.48Å; A439-I443 VanDerWaalsContact O-N 3.13Å; A439-E481 HydrophobicContact CB-CB 4.37Å; A439-E481 WeakPolarHBondContact CB-O 3.3Å; A439-A485 HydrophobicContact CB-CB 3.77Å |
| 440 | A | 93.8 | Very high | 87.8 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D436 D444 | D436-A440 WeakPolarHBondContact O-CB 3.23Å; D436-A440 PolarHBondContact O-N 2.97Å; A440-D444 WeakPolarHBondContact O-CB 3.43Å; A440-D444 PolarHBondContact O-N 3.29Å |
| 441 | Q | 94.3 | Very high | 88.8 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 179.9 | -70.7 | -75.1 | -29.1 | 0 | 0 | 112.8 | V402 Y410 Y419 L423 L437 L438 A439 I443 D444 V445 | V402-Q441 HydrophobicContact CG1-CG 3.5Å; V402-Q441 VanDerWaalsContact CG1-CG 3.5Å; Y410-Q441 PolarHBondContact OH-OE1 2.93Å; Y419-Q441 PolarHBondContact OH-OE1 3.27Å; L423-Q441 HydrophobicContact CD1-CB 4.15Å; L423-Q441 HydrophobicContact CD2-CB 4.36Å; L437-Q441 HydrophobicContact CD1-CG 4.47Å; L437-Q441 WeakPolarHBondContact O-CB 3.29Å; L437-Q441 WeakPolarHBondContact O-CG 3.24Å; L437-Q441 PolarHBondContact O-N 2.78Å; L437-Q441 VanDerWaalsContact O-N 3.09Å; L438-Q441 PolarHBondContact O-N 2.81Å; A439-Q441 VanDerWaalsContact C-N 3.31Å; A439-Q441 PolarHBondContact O-N 2.91Å; Q441-I443 VanDerWaalsContact C-N 3.3Å; Q441-I443 PolarHBondContact O-N 3.34Å; Q441-D444 PolarHBondContact O-N 3.04Å; Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 3.45Å |
| 442 | L | 94.7 | Very high | 90 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.8 | -77 | 167.5 | 0 | 0 | 0 | 111.7 | L423 L438 A439 S446 M460 T482 I489 | L423-L442 HydrophobicContact CB-CD2 3.81Å; L423-L442 HydrophobicContact CB-CG 4.21Å; L423-L442 HydrophobicContact CD1-CD2 3.84Å; L423-L442 HydrophobicContact CD1-CG 4.1Å; L438-L442 WeakPolarHBondContact O-CG 3.35Å; L438-L442 PolarHBondContact O-N 2.79Å; A439-L442 PolarHBondContact O-N 3.02Å; L442-S446 WeakPolarHBondContact O-CB 3.19Å; L442-S446 PolarHBondContact O-N 3.44Å; L442-S446 VanDerWaalsContact O-N 3.14Å; L442-S446 PolarHBondContact O-OG 2.96Å; L442-M460 HydrophobicContact CD1-CE 4.08Å; L442-M460 HydrophobicContact CD1-SD 4.03Å; L442-M460 HydrophobicContact CD2-CE 3.81Å; L442-M460 HydrophobicContact CD2-SD 4.42Å; L442-T482 HydrophobicContact CD1-CG2 3.52Å; L442-I489 HydrophobicContact CB-CD1 4.07Å |
| 443 | I | 95 | Very high | 91.1 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.4 | -48.1 | 175.9 | -67.7 | 170 | 0 | 0 | 0 | 110.4 | A439 Q441 V445 S446 I447 A485 W488 | A439-I443 VanDerWaalsContact O-CG1 3.31Å; A439-I443 WeakPolarHBondContact O-CG1 3.17Å; A439-I443 PolarHBondContact O-N 3.48Å; A439-I443 VanDerWaalsContact O-N 3.13Å; Q441-I443 VanDerWaalsContact C-N 3.3Å; Q441-I443 PolarHBondContact O-N 3.34Å; I443-V445 PolarHBondContact O-N 3.45Å; I443-S446 PolarHBondContact O-N 3.03Å; I443-I447 HydrophobicContact CG2-CD1 3.55Å; I443-I447 HydrophobicContact CG2-CG1 4.33Å; I443-I447 VanDerWaalsContact O-CG1 3.31Å; I443-I447 WeakPolarHBondContact O-CG1 3.37Å; I443-I447 PolarHBondContact O-N 3.19Å; I443-A485 HydrophobicContact CD1-CB 3.86Å; I443-A485 HydrophobicContact CG1-CB 3.81Å; I443-W488 HydrophobicContact CG1-CE3 4.19Å; I443-W488 HydrophobicContact CG2-CE3 4.28Å; I443-W488 HydrophobicContact CG2-CH2 4.48Å; I443-W488 HydrophobicContact CG2-CZ3 4Å |
| 444 | D | 94.9 | Very high | 92 | Very high | 48 Ų | 48 | 44.8 Ų | 44.8 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.2 | -46.1 | -179.6 | -178 | 50.3 | 0 | 0 | 0 | 112.1 | Y410 A440 Q441 S446 I447 R448 | Y410-D444 VanDerWaalsContact CE2-OD2 3.3Å; Y410-D444 WeakPolarHBondContact CE2-OD2 3.28Å; Y410-D444 PolarHBondContact OH-OD2 2.84Å; A440-D444 WeakPolarHBondContact O-CB 3.43Å; A440-D444 PolarHBondContact O-N 3.29Å; Q441-D444 PolarHBondContact O-N 3.04Å; D444-S446 PolarHBondContact O-N 2.93Å; D444-I447 PolarHBondContact O-N 3.2Å; D444-R448 WeakPolarHBondContact O-CB 3.4Å; D444-R448 PolarHBondContact O-N 2.95Å; D444-R448 IonicContact OD1-CZ 2.91Å; D444-R448 IonicContact OD1-NE 3.44Å; D444-R448 PolarHBondContact OD1-NE 3.13Å; D444-R448 IonicContact OD1-NH2 2.81Å; D444-R448 PolarHBondContact OD1-NH2 3.33Å; D444-R448 IonicContact OD2-NE 3.53Å; D444-R448 IonicContact OD2-NH2 3.61Å |
| 445 | V | 94.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 177.4 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | Y410 F416 Y419 V420 Q441 I443 I447 R448 V449 | Y410-V445 HydrophobicContact CE1-CG2 4.06Å; F416-V445 HydrophobicContact CB-CG1 4.45Å; F416-V445 HydrophobicContact CD1-CG1 3.87Å; F416-V445 HydrophobicContact CD1-CG2 4.49Å; Y419-V445 HydrophobicContact CD1-CG2 3.89Å; Y419-V445 HydrophobicContact CE1-CG2 3.7Å; V420-V445 HydrophobicContact CG2-CG1 3.94Å; Q441-V445 WeakPolarHBondContact O-CG2 3.49Å; Q441-V445 PolarHBondContact O-N 3.45Å; I443-V445 PolarHBondContact O-N 3.45Å; V445-I447 VanDerWaalsContact C-N 3.33Å; V445-I447 PolarHBondContact O-N 3.46Å; V445-R448 PolarHBondContact O-N 3.08Å; V445-V449 PolarHBondContact O-N 3.1Å |
| 446 | S | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -33.3 | -177.8 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | L442 I443 D444 R453 | L442-S446 WeakPolarHBondContact O-CB 3.19Å; L442-S446 PolarHBondContact O-N 3.44Å; L442-S446 VanDerWaalsContact O-N 3.14Å; L442-S446 PolarHBondContact O-OG 2.96Å; I443-S446 PolarHBondContact O-N 3.03Å; D444-S446 PolarHBondContact O-N 2.93Å; S446-R453 PolarHBondContact O-NE 3.23Å; S446-R453 PolarHBondContact O-NH2 2.92Å |
| 447 | I | 93 | Very high | 93.9 | Very high | 86 Ų | 86 | 40.3 Ų | 40.3 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -75.4 | -48.3 | 175.2 | -67.5 | 171.8 | 0 | 0 | 0 | 110.2 | I443 D444 V445 R453 W488 | I443-I447 HydrophobicContact CG2-CD1 3.55Å; I443-I447 HydrophobicContact CG2-CG1 4.33Å; I443-I447 VanDerWaalsContact O-CG1 3.31Å; I443-I447 WeakPolarHBondContact O-CG1 3.37Å; I443-I447 PolarHBondContact O-N 3.19Å; D444-I447 PolarHBondContact O-N 3.2Å; V445-I447 VanDerWaalsContact C-N 3.33Å; V445-I447 PolarHBondContact O-N 3.46Å; I447-R453 PolarHBondContact O-NH2 3.21Å; I447-W488 HydrophobicContact CD1-CH2 3.84Å; I447-W488 HydrophobicContact CD1-CZ3 4.22Å; I447-W488 HydrophobicContact CG1-CH2 4.04Å; I447-W488 HydrophobicContact CG1-CZ3 4.22Å |
| 448 | R | 92 | Very high | 94.1 | Very high | 125 Ų | 125 | 41.6 Ų | 41.6 | 47% | 0.472 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.2 | -30.3 | -171.4 | -173.3 | 179 | -58.9 | -79.5 | -6.7 | 114.1 | D444 V445 P450 | D444-R448 WeakPolarHBondContact O-CB 3.4Å; D444-R448 PolarHBondContact O-N 2.95Å; D444-R448 IonicContact OD1-CZ 2.91Å; D444-R448 IonicContact OD1-NE 3.44Å; D444-R448 PolarHBondContact OD1-NE 3.13Å; D444-R448 IonicContact OD1-NH2 2.81Å; D444-R448 PolarHBondContact OD1-NH2 3.33Å; D444-R448 IonicContact OD2-NE 3.53Å; D444-R448 IonicContact OD2-NH2 3.61Å; V445-R448 PolarHBondContact O-N 3.08Å; R448-P450 WeakPolarHBondContact O-CD 3.42Å |
| 449 | V | 93 | Very high | 94.2 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 12% | 0.115 | 23% | 0.23 | C | C | . | . | trans | -120.1 | 90.1 | -172.6 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | F416 V445 T451 V452 | F416-V449 HydrophobicContact CD1-CG2 4.01Å; F416-V449 HydrophobicContact CD2-CG1 4.01Å; F416-V449 HydrophobicContact CD2-CG2 3.9Å; F416-V449 HydrophobicContact CE1-CG2 3.9Å; F416-V449 HydrophobicContact CE2-CG1 4.49Å; F416-V449 HydrophobicContact CE2-CG2 3.8Å; F416-V449 HydrophobicContact CG-CG1 4.32Å; F416-V449 HydrophobicContact CG-CG2 4Å; F416-V449 HydrophobicContact CZ-CG2 3.79Å; V445-V449 PolarHBondContact O-N 3.1Å; V449-T451 VanDerWaalsContact C-N 3.3Å; V449-T451 PolarHBondContact O-N 3.29Å; V449-V452 HydrophobicContact CG1-CB 4.08Å; V449-V452 HydrophobicContact CG1-CG2 3.92Å; V449-V452 PolarHBondContact O-N 3.27Å | ||
| 450 | P | 92.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -58.4 | -35.9 | -178.6 | -27.5 | 35.3 | 0 | 0 | 0 | 115.1 | R448 V452 R453 | R448-P450 WeakPolarHBondContact O-CD 3.42Å; P450-V452 VanDerWaalsContact C-N 3.28Å; P450-V452 PolarHBondContact O-N 2.61Å; P450-R453 VanDerWaalsContact O-CB 3.25Å; P450-R453 WeakPolarHBondContact O-CB 3.18Å; P450-R453 PolarHBondContact O-N 3.06Å |
| 451 | T | 93.6 | Very high | 94.3 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 73% | 0.73 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -67.3 | -25.6 | -176 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | V449 | V449-T451 VanDerWaalsContact C-N 3.3Å; V449-T451 PolarHBondContact O-N 3.29Å |
| 452 | V | 93.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -97.8 | -5.2 | -179.1 | 177 | 0 | 0 | 0 | 0 | 112.1 | F416 E417 V420 V449 P450 T454 F455 C456 | F416-V452 HydrophobicContact CB-CB 4.19Å; F416-V452 HydrophobicContact CB-CG1 4.03Å; F416-V452 HydrophobicContact CB-CG2 3.81Å; E417-V452 HydrophobicContact CG-CG1 3.94Å; E417-V452 HydrophobicContact CG-CG2 4.12Å; V420-V452 HydrophobicContact CG2-CG1 4.36Å; V449-V452 HydrophobicContact CG1-CB 4.08Å; V449-V452 HydrophobicContact CG1-CG2 3.92Å; V449-V452 PolarHBondContact O-N 3.27Å; P450-V452 VanDerWaalsContact C-N 3.28Å; P450-V452 PolarHBondContact O-N 2.61Å; V452-T454 PolarHBondContact O-N 3.29Å; V452-F455 HydrophobicContact CG1-CB 4.4Å; V452-F455 HydrophobicContact CG1-CD1 4.2Å; V452-F455 WeakPolarHBondContact O-CB 3.33Å; V452-F455 PolarHBondContact O-N 3.43Å; V452-F455 VanDerWaalsContact O-N 3.14Å; V452-C456 PolarHBondContact O-N 3.45Å; V452-C456 PolarHBondContact O-SG 2.85Å |
| 453 | R | 95 | Very high | 93.9 | Very high | 53 Ų | 53 | 44 Ų | 44 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.9 | -41.3 | -174.9 | -176.3 | -179.6 | -70.6 | 135.5 | 4 | 113.9 | S446 I447 P450 F455 C456 V457 Y493 | S446-R453 PolarHBondContact O-NE 3.23Å; S446-R453 PolarHBondContact O-NH2 2.92Å; I447-R453 PolarHBondContact O-NH2 3.21Å; P450-R453 VanDerWaalsContact O-CB 3.25Å; P450-R453 WeakPolarHBondContact O-CB 3.18Å; P450-R453 PolarHBondContact O-N 3.06Å; R453-F455 VanDerWaalsContact C-N 3.32Å; R453-F455 PolarHBondContact O-N 3.23Å; R453-C456 WeakPolarHBondContact O-CB 3.48Å; R453-C456 PolarHBondContact O-N 3.31Å; R453-V457 HydrophobicContact CG-CG2 4.5Å; R453-V457 WeakPolarHBondContact O-CB 3.35Å; R453-V457 VanDerWaalsContact O-CG2 3.24Å; R453-V457 WeakPolarHBondContact O-CG2 3.4Å; R453-V457 PolarHBondContact O-N 3.34Å; R453-Y493 VanDerWaalsContact CD-CD1 3.42Å; R453-Y493 VanDerWaalsContact CD-CE1 3.49Å; R453-Y493 VanDerWaalsContact CD-CG 3.47Å; R453-Y493 HydrophobicContact CG-CD1 4.22Å; R453-Y493 HydrophobicContact CG-CD2 3.54Å; R453-Y493 HydrophobicContact CG-CE1 4.46Å; R453-Y493 HydrophobicContact CG-CE2 3.82Å; R453-Y493 HydrophobicContact CG-CG 3.74Å |
| 454 | T | 94.5 | Very high | 93.6 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 50% | 0.503 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.5 | -46.1 | 176.6 | 48.7 | 0 | 0 | 0 | 0 | 110.7 | V452 V457 E458 | V452-T454 PolarHBondContact O-N 3.29Å; T454-V457 PolarHBondContact O-N 3.25Å; T454-E458 PolarHBondContact O-N 3.09Å |
| 455 | F | 96.1 | Very high | 93.2 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 18% | 0.184 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -44 | 173.8 | 179.7 | -97.1 | 0 | 0 | 0 | 112.3 | E417 V420 V452 R453 V457 E458 Q459 | E417-F455 HydrophobicContact CB-CD1 3.88Å; E417-F455 HydrophobicContact CB-CE1 3.8Å; E417-F455 HydrophobicContact CB-CG 4.36Å; E417-F455 HydrophobicContact CB-CZ 4.21Å; E417-F455 HydrophobicContact CG-CB 4.31Å; E417-F455 HydrophobicContact CG-CD1 3.83Å; E417-F455 HydrophobicContact CG-CD2 4.47Å; E417-F455 HydrophobicContact CG-CE1 4.26Å; E417-F455 HydrophobicContact CG-CG 3.94Å; E417-F455 VanDerWaalsContact O-CE1 3.31Å; E417-F455 WeakPolarHBondContact O-CE1 3.41Å; V420-F455 HydrophobicContact CB-CD1 4.44Å; V420-F455 HydrophobicContact CB-CE1 4.15Å; V420-F455 HydrophobicContact CG1-CD1 4.36Å; V420-F455 HydrophobicContact CG1-CE1 4.12Å; V452-F455 HydrophobicContact CG1-CB 4.4Å; V452-F455 HydrophobicContact CG1-CD1 4.2Å; V452-F455 WeakPolarHBondContact O-CB 3.33Å; V452-F455 PolarHBondContact O-N 3.43Å; V452-F455 VanDerWaalsContact O-N 3.14Å; R453-F455 VanDerWaalsContact C-N 3.32Å; R453-F455 PolarHBondContact O-N 3.23Å; F455-V457 VanDerWaalsContact C-N 3.32Å; F455-V457 PolarHBondContact O-N 2.9Å; F455-E458 PolarHBondContact O-N 3.34Å; F455-Q459 HydrophobicContact CD1-CG 4.14Å; F455-Q459 HydrophobicContact CE1-CG 3.68Å; F455-Q459 HydrophobicContact CE2-CG 4.19Å; F455-Q459 HydrophobicContact CZ-CG 3.72Å; F455-Q459 WeakPolarHBondContact O-CG 3.42Å; F455-Q459 PolarHBondContact O-N 3.39Å |
| 456 | C | 95.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55.9 | -47.5 | 174.2 | -70.8 | 0 | 0 | 0 | 0 | 111.6 | V420 V452 R453 E458 Q459 M460 | V420-C456 VanDerWaalsContact CG2-SG 3.51Å; V452-C456 PolarHBondContact O-N 3.45Å; V452-C456 PolarHBondContact O-SG 2.85Å; R453-C456 WeakPolarHBondContact O-CB 3.48Å; R453-C456 PolarHBondContact O-N 3.31Å; C456-E458 VanDerWaalsContact C-N 3.33Å; C456-E458 PolarHBondContact O-N 3.15Å; C456-Q459 PolarHBondContact O-N 3.43Å; C456-M460 WeakPolarHBondContact O-CB 3.25Å; C456-M460 VanDerWaalsContact O-CG 3.23Å; C456-M460 WeakPolarHBondContact O-CG 3.36Å; C456-M460 PolarHBondContact O-N 3.27Å |
| 457 | V | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.6 | -42.2 | -179.2 | 169 | 0 | 0 | 0 | 0 | 111 | R453 T454 F455 M460 A461 I489 Y493 L497 | R453-V457 HydrophobicContact CG-CG2 4.5Å; R453-V457 WeakPolarHBondContact O-CB 3.35Å; R453-V457 VanDerWaalsContact O-CG2 3.24Å; R453-V457 WeakPolarHBondContact O-CG2 3.4Å; R453-V457 PolarHBondContact O-N 3.34Å; T454-V457 PolarHBondContact O-N 3.25Å; F455-V457 VanDerWaalsContact C-N 3.32Å; F455-V457 PolarHBondContact O-N 2.9Å; V457-M460 PolarHBondContact O-N 3.21Å; V457-A461 WeakPolarHBondContact O-CB 3.38Å; V457-A461 PolarHBondContact O-N 3.37Å; V457-I489 HydrophobicContact CG2-CG2 3.88Å; V457-Y493 HydrophobicContact CG2-CD2 4.24Å; V457-Y493 HydrophobicContact CG2-CG 4.39Å; V457-L497 HydrophobicContact CG1-CD2 3.36Å; V457-L497 HydrophobicContact CG1-CG 3.7Å |
| 458 | E | 95.1 | Very high | 90.3 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 40% | 0.397 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.3 | -172.8 | 173.3 | -153.2 | 0 | 0 | 111.8 | T454 F455 C456 M460 A461 I462 N498 | T454-E458 PolarHBondContact O-N 3.09Å; F455-E458 PolarHBondContact O-N 3.34Å; C456-E458 VanDerWaalsContact C-N 3.33Å; C456-E458 PolarHBondContact O-N 3.15Å; E458-M460 PolarHBondContact O-N 3.4Å; E458-A461 PolarHBondContact O-N 3.31Å; E458-I462 HydrophobicContact CG-CD1 4.38Å; E458-I462 WeakPolarHBondContact O-CG1 3.34Å; E458-I462 PolarHBondContact O-N 3.03Å; E458-I462 VanDerWaalsContact O-N 3.09Å; E458-N498 PolarHBondContact OE1-ND2 2.98Å |
| 459 | Q | 93.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 177.1 | -67.1 | -58.7 | -55.9 | 0 | 0 | 112.7 | V420 V424 F455 C456 I462 L463 | V420-Q459 HydrophobicContact CG1-CB 4.25Å; V420-Q459 HydrophobicContact CG1-CG 4.24Å; V424-Q459 HydrophobicContact CG2-CB 4.32Å; F455-Q459 HydrophobicContact CD1-CG 4.14Å; F455-Q459 HydrophobicContact CE1-CG 3.68Å; F455-Q459 HydrophobicContact CE2-CG 4.19Å; F455-Q459 HydrophobicContact CZ-CG 3.72Å; F455-Q459 WeakPolarHBondContact O-CG 3.42Å; F455-Q459 PolarHBondContact O-N 3.39Å; C456-Q459 PolarHBondContact O-N 3.43Å; Q459-I462 PolarHBondContact O-N 3.12Å; Q459-L463 PolarHBondContact O-N 3Å |
| 460 | M | 94 | Very high | 86.8 | Confident | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 176.8 | -68.5 | -55.2 | 96.8 | 0 | 0 | 112.1 | V424 L442 C456 V457 E458 L463 L464 A486 I489 | V424-M460 HydrophobicContact CG2-CE 3.4Å; L442-M460 HydrophobicContact CD1-CE 4.08Å; L442-M460 HydrophobicContact CD1-SD 4.03Å; L442-M460 HydrophobicContact CD2-CE 3.81Å; L442-M460 HydrophobicContact CD2-SD 4.42Å; C456-M460 WeakPolarHBondContact O-CB 3.25Å; C456-M460 VanDerWaalsContact O-CG 3.23Å; C456-M460 WeakPolarHBondContact O-CG 3.36Å; C456-M460 PolarHBondContact O-N 3.27Å; V457-M460 PolarHBondContact O-N 3.21Å; E458-M460 PolarHBondContact O-N 3.4Å; M460-L463 HydrophobicContact CE-CD2 4.36Å; M460-L463 PolarHBondContact O-N 3.35Å; M460-L463 HydrophobicContact SD-CD2 4.4Å; M460-L464 VanDerWaalsContact O-CG 3.32Å; M460-L464 WeakPolarHBondContact O-CG 3.35Å; M460-L464 PolarHBondContact O-N 3.22Å; M460-A486 HydrophobicContact CB-CB 3.94Å; M460-A486 HydrophobicContact CG-CB 4.15Å; M460-A486 VanDerWaalsContact SD-CA 3.6Å; M460-A486 HydrophobicContact SD-CB 3.59Å; M460-A486 VanDerWaalsContact SD-CB 3.59Å; M460-I489 HydrophobicContact CG-CB 4.09Å; M460-I489 HydrophobicContact CG-CD1 3.88Å; M460-I489 HydrophobicContact CG-CG2 3.97Å; M460-I489 HydrophobicContact SD-CD1 4.12Å |
| 461 | A | 93.1 | Very high | 85 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V457 E458 L464 D465 L497 T503 | V457-A461 WeakPolarHBondContact O-CB 3.38Å; V457-A461 PolarHBondContact O-N 3.37Å; E458-A461 PolarHBondContact O-N 3.31Å; A461-L464 PolarHBondContact O-N 3.43Å; A461-D465 PolarHBondContact O-N 3.35Å; A461-L497 HydrophobicContact CB-CD2 4.04Å; A461-T503 HydrophobicContact CB-CG2 4.37Å |
| 462 | I | 91.9 | Very high | 82.7 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 174 | -65.9 | 164.8 | 0 | 0 | 0 | 110.7 | E458 Q459 L464 D465 I466 | E458-I462 HydrophobicContact CG-CD1 4.38Å; E458-I462 WeakPolarHBondContact O-CG1 3.34Å; E458-I462 PolarHBondContact O-N 3.03Å; E458-I462 VanDerWaalsContact O-N 3.09Å; Q459-I462 PolarHBondContact O-N 3.12Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 3.34Å; I462-D465 WeakPolarHBondContact O-CB 3.45Å; I462-D465 PolarHBondContact O-N 3.49Å; I462-D465 VanDerWaalsContact O-N 3.17Å; I462-I466 HydrophobicContact CG2-CD1 3.57Å; I462-I466 HydrophobicContact CG2-CG1 4.23Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.28Å |
| 463 | L | 89.2 | Confident | 80.4 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 178.8 | -177.6 | 62.6 | 0 | 0 | 0 | 112.1 | Q459 M460 D465 S467 T482 L483 A486 | Q459-L463 PolarHBondContact O-N 3Å; M460-L463 HydrophobicContact CE-CD2 4.36Å; M460-L463 PolarHBondContact O-N 3.35Å; M460-L463 HydrophobicContact SD-CD2 4.4Å; L463-D465 VanDerWaalsContact C-N 3.35Å; L463-S467 WeakPolarHBondContact O-CB 3.42Å; L463-S467 PolarHBondContact O-N 3.29Å; L463-T482 HydrophobicContact CD2-CG2 3.89Å; L463-L483 HydrophobicContact CG-CD2 4.3Å; L463-A486 HydrophobicContact CD2-CB 4.34Å |
| 464 | L | 89.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 175 | -69.2 | 165.4 | 0 | 0 | 0 | 111.4 | M460 A461 I462 S467 L483 A486 A487 C490 T503 I507 I510 | M460-L464 VanDerWaalsContact O-CG 3.32Å; M460-L464 WeakPolarHBondContact O-CG 3.35Å; M460-L464 PolarHBondContact O-N 3.22Å; A461-L464 PolarHBondContact O-N 3.43Å; I462-L464 VanDerWaalsContact C-N 3.34Å; I462-L464 PolarHBondContact O-N 3.34Å; L464-S467 PolarHBondContact O-N 3.02Å; L464-S467 PolarHBondContact O-OG 3.44Å; L464-L483 HydrophobicContact CD2-CD2 4.05Å; L464-A486 HydrophobicContact CD1-CB 4.33Å; L464-A486 HydrophobicContact CD2-CB 4.06Å; L464-A486 HydrophobicContact CG-CB 3.96Å; L464-A487 HydrophobicContact CD2-CB 4.42Å; L464-C490 HydrophobicContact CD1-CB 4.36Å; L464-T503 HydrophobicContact CD1-CG2 4.14Å; L464-I507 HydrophobicContact CD1-CD1 4.05Å; L464-I507 HydrophobicContact CD1-CG1 3.86Å; L464-I507 HydrophobicContact CD2-CG1 4.35Å; L464-I510 HydrophobicContact CB-CD1 4.08Å; L464-I510 HydrophobicContact CD2-CD1 3.53Å; L464-I510 HydrophobicContact CG-CD1 4.43Å |
| 465 | D | 87 | Confident | 75.7 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 33% | 0.326 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -48.6 | 177.9 | -158.9 | 51.7 | 0 | 0 | 0 | 112.1 | A461 I462 L463 S467 Q502 S506 | A461-D465 PolarHBondContact O-N 3.35Å; I462-D465 WeakPolarHBondContact O-CB 3.45Å; I462-D465 PolarHBondContact O-N 3.49Å; I462-D465 VanDerWaalsContact O-N 3.17Å; L463-D465 VanDerWaalsContact C-N 3.35Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.24Å; D465-Q502 VanDerWaalsContact CG-NE2 3.29Å; D465-Q502 PolarHBondContact OD1-NE2 3.13Å; D465-Q502 VanDerWaalsContact OD1-NE2 3.1Å; D465-Q502 PolarHBondContact OD2-NE2 2.97Å; D465-Q502 VanDerWaalsContact OD2-NE2 3.11Å; D465-S506 PolarHBondContact OD1-OG 3.36Å |
| 466 | I | 82.3 | Confident | 73.6 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 46% | 0.456 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.9 | -29.9 | -179.7 | -63 | 170.6 | 0 | 0 | 0 | 111.8 | I462 Q468 S469 L470 | I462-I466 HydrophobicContact CG2-CD1 3.57Å; I462-I466 HydrophobicContact CG2-CG1 4.23Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.28Å; I466-Q468 PolarHBondContact O-N 2.78Å; I466-S469 WeakPolarHBondContact O-CB 3.46Å; I466-S469 PolarHBondContact O-N 2.78Å; I466-L470 HydrophobicContact CG2-CD1 3.77Å; I466-L470 HydrophobicContact CG2-CG 4.08Å |
| 467 | S | 74.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.6 | -21.4 | -175.3 | 74.5 | 0 | 0 | 0 | 0 | 114.6 | L463 L464 D465 S469 L470 T471 I510 | L463-S467 WeakPolarHBondContact O-CB 3.42Å; L463-S467 PolarHBondContact O-N 3.29Å; L464-S467 PolarHBondContact O-N 3.02Å; L464-S467 PolarHBondContact O-OG 3.44Å; D465-S467 VanDerWaalsContact C-N 3.28Å; D465-S467 PolarHBondContact O-N 3.24Å; S467-S469 PolarHBondContact O-N 3.02Å; S467-L470 PolarHBondContact O-N 3.44Å; S467-T471 WeakPolarHBondContact O-CB 3.38Å; S467-T471 VanDerWaalsContact O-CG2 3.22Å; S467-T471 WeakPolarHBondContact O-CG2 3.39Å; S467-T471 PolarHBondContact O-N 3.42Å; S467-T471 PolarHBondContact O-OG1 3.09Å; S467-I510 WeakPolarHBondContact OG-CD1 3.24Å |
| 468 | Q | 64.5 | Low | 70.1 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.2 | -33.2 | 171.1 | -63.3 | 179.9 | 3.8 | 0 | 0 | 111.8 | I466 | I466-Q468 PolarHBondContact O-N 2.78Å |
| 469 | S | 55.7 | Low | 69.2 | Low | 99 Ų | 99 | 55.8 Ų | 55.8 | 69% | 0.692 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -87.7 | -27.9 | 178 | -173 | 0 | 0 | 0 | 0 | 113.9 | I466 S467 | I466-S469 WeakPolarHBondContact O-CB 3.46Å; I466-S469 PolarHBondContact O-N 2.78Å; S467-S469 PolarHBondContact O-N 3.02Å |
| 470 | L | 54.8 | Low | 68.6 | Low | 50 Ų | 50 | 54.9 Ų | 54.9 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -85.1 | -14.5 | -171.5 | -67.8 | 170.9 | 0 | 0 | 0 | 113.6 | I466 S467 I479 | I466-L470 HydrophobicContact CG2-CD1 3.77Å; I466-L470 HydrophobicContact CG2-CG 4.08Å; S467-L470 PolarHBondContact O-N 3.44Å; L470-I479 HydrophobicContact CB-CD1 4.23Å; L470-I479 HydrophobicContact CD1-CD1 3.77Å |
| 471 | T | 54.4 | Low | 68.2 | Low | 29 Ų | 29 | 56.7 Ų | 56.7 | 18% | 0.178 | 34% | 0.339 | C | S | . | . | trans | -101.4 | -0.3 | -166.3 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | S467 G473 I479 L514 | S467-T471 WeakPolarHBondContact O-CB 3.38Å; S467-T471 VanDerWaalsContact O-CG2 3.22Å; S467-T471 WeakPolarHBondContact O-CG2 3.39Å; S467-T471 PolarHBondContact O-N 3.42Å; S467-T471 PolarHBondContact O-OG1 3.09Å; T471-G473 PolarHBondContact O-N 3.39Å; T471-G473 VanDerWaalsContact O-N 3.12Å; T471-I479 HydrophobicContact CG2-CG2 4.42Å; T471-L514 HydrophobicContact CG2-CD1 4.1Å; T471-L514 HydrophobicContact CG2-CD2 3.68Å; T471-L514 HydrophobicContact CG2-CG 4.25Å | ||
| 472 | S | 46.6 | Very low | 68 | Low | 111 Ų | 111 | 55.8 Ų | 55.8 | 78% | 0.776 | 33% | 0.332 | S | S | * | . | trans | -70.2 | -3.7 | 178.9 | -48.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 473 | G | 44.8 | Very low | 67.8 | Low | 42 Ų | 42 | 52.4 Ų | 52.4 | 43% | 0.433 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -100.1 | 109.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T471 K475 | T471-G473 PolarHBondContact O-N 3.39Å; T471-G473 VanDerWaalsContact O-N 3.12Å; G473-K475 PolarHBondContact O-N 2.91Å |
| 474 | G | 43.2 | Very low | 67.9 | Low | 91 Ų | 91 | 55 Ų | 55 | 94% | 0.938 | 32% | 0.324 | S | S | * | . | trans | -62.7 | 29.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 475 | K | 48.2 | Very low | 68 | Low | 170 Ų | 170 | 55 Ų | 55 | 74% | 0.739 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -81.1 | 132.6 | 162 | -69.4 | 174.2 | -176 | 172.5 | 0 | 106.4 | G473 N477 | G473-K475 PolarHBondContact O-N 2.91Å; K475-N477 WeakPolarHBondContact CB-OD1 3.34Å; K475-N477 PolarHBondContact O-N 3.32Å; K475-N477 PolarHBondContact O-OD1 2.8Å; K475-N477 VanDerWaalsContact O-OD1 3.08Å |
| 476 | Q | 51.4 | Low | 68.3 | Low | 132 Ų | 132 | 52.1 Ų | 52.1 | 62% | 0.617 | 31% | 0.309 | S | S | * | . | trans | -59 | 85.6 | 168.9 | -70 | -71.7 | 5.8 | 0 | 0 | 107.5 | A478 G516 | Q476-A478 PolarHBondContact O-N 3.29Å; Q476-G516 PolarHBondContact NE2-O 3.37Å; Q476-G516 PolarHBondContact OE1-O 3.49Å | ||
| 477 | N | 55.5 | Low | 68.9 | Low | 31 Ų | 31 | 47.9 Ų | 47.9 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | trans | -75 | 130 | -169.1 | -76 | -18.4 | 0 | 0 | 0 | 106.5 | K475 I479 Q480 | K475-N477 WeakPolarHBondContact CB-OD1 3.34Å; K475-N477 PolarHBondContact O-N 3.32Å; K475-N477 PolarHBondContact O-OD1 2.8Å; K475-N477 VanDerWaalsContact O-OD1 3.08Å; N477-I479 HydrophobicContact CB-CB 4.12Å; N477-I479 HydrophobicContact CB-CG2 3.44Å; N477-I479 VanDerWaalsContact CB-CG2 3.44Å; N477-I479 PolarHBondContact O-N 3.49Å; N477-Q480 WeakPolarHBondContact O-CB 3.49Å; N477-Q480 WeakPolarHBondContact O-CG 3.46Å; N477-Q480 PolarHBondContact O-N 2.97Å | ||
| 478 | A | 63.7 | Low | 69.8 | Low | 27 Ų | 27 | 51 Ų | 51 | 22% | 0.223 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -19.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I432 G435 Q476 Q480 E481 | I432-A478 WeakPolarHBondContact O-CB 3.46Å; G435-A478 WeakPolarHBondContact CA-O 2.93Å; Q476-A478 PolarHBondContact O-N 3.29Å; A478-Q480 PolarHBondContact O-N 3.3Å; A478-E481 PolarHBondContact O-N 3.45Å |
| 479 | I | 77 | Confident | 71.3 | Confident | 14 Ų | 14 | 46.9 Ų | 46.9 | 7% | 0.072 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -52.7 | -31.4 | 170 | -149.5 | 166 | 0 | 0 | 0 | 113 | L470 T471 N477 E481 T482 L483 | L470-I479 HydrophobicContact CB-CD1 4.23Å; L470-I479 HydrophobicContact CD1-CD1 3.77Å; T471-I479 HydrophobicContact CG2-CG2 4.42Å; N477-I479 HydrophobicContact CB-CB 4.12Å; N477-I479 HydrophobicContact CB-CG2 3.44Å; N477-I479 VanDerWaalsContact CB-CG2 3.44Å; N477-I479 PolarHBondContact O-N 3.49Å; I479-E481 VanDerWaalsContact C-N 3.28Å; I479-E481 PolarHBondContact O-N 3.33Å; I479-T482 CarbonylContact O-C 3.56Å; I479-T482 WeakPolarHBondContact O-CB 3.26Å; I479-T482 PolarHBondContact O-N 3.37Å; I479-T482 VanDerWaalsContact O-N 3.07Å; I479-L483 HydrophobicContact CG1-CG 4.43Å; I479-L483 HydrophobicContact CG2-CD1 4.28Å; I479-L483 VanDerWaalsContact O-CG 3.29Å; I479-L483 WeakPolarHBondContact O-CG 3.49Å; I479-L483 PolarHBondContact O-N 3.04Å |
| 480 | Q | 80.7 | Confident | 73.2 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -40.1 | -179.3 | -71 | -176.8 | -1.6 | 0 | 0 | 112 | N477 A478 L483 R484 L517 I521 | N477-Q480 WeakPolarHBondContact O-CB 3.49Å; N477-Q480 WeakPolarHBondContact O-CG 3.46Å; N477-Q480 PolarHBondContact O-N 2.97Å; A478-Q480 PolarHBondContact O-N 3.3Å; Q480-L483 PolarHBondContact O-N 3.45Å; Q480-R484 PolarHBondContact O-N 3.2Å; Q480-L517 HydrophobicContact CB-CD1 4.13Å; Q480-L517 HydrophobicContact CG-CD1 3.97Å; Q480-I521 HydrophobicContact CB-CD1 3.85Å |
| 481 | E | 85.2 | Confident | 75 | Confident | 39 Ų | 39 | 39.9 Ų | 39.9 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.3 | -36.7 | 177 | -68.2 | -61.8 | 150 | 0 | 0 | 111.5 | G435 D436 A439 A478 I479 R484 A485 | G435-E481 VanDerWaalsContact C-CB 3.46Å; D436-E481 WeakPolarHBondContact OD1-CG 3.31Å; A439-E481 HydrophobicContact CB-CB 4.37Å; A439-E481 WeakPolarHBondContact CB-O 3.3Å; A478-E481 PolarHBondContact O-N 3.45Å; I479-E481 VanDerWaalsContact C-N 3.28Å; I479-E481 PolarHBondContact O-N 3.33Å; E481-R484 WeakPolarHBondContact O-CB 3.35Å; E481-R484 PolarHBondContact O-N 3.3Å; E481-R484 IonicContact OE2-CZ 3.82Å; E481-R484 IonicContact OE2-NE 3.37Å; E481-R484 PolarHBondContact OE2-NE 3.43Å; E481-R484 IonicContact OE2-NH2 3.83Å; E481-R484 PolarHBondContact OE2-NH2 2.9Å; E481-R484 VanDerWaalsContact OE2-NH2 3.09Å; E481-A485 PolarHBondContact O-N 3.23Å |
| 482 | T | 88.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -38.5 | 172.8 | -44 | 0 | 0 | 0 | 0 | 111.5 | A427 L442 L463 I479 R484 A485 A486 | A427-T482 HydrophobicContact CB-CG2 3.57Å; L442-T482 HydrophobicContact CD1-CG2 3.52Å; L463-T482 HydrophobicContact CD2-CG2 3.89Å; I479-T482 CarbonylContact O-C 3.56Å; I479-T482 WeakPolarHBondContact O-CB 3.26Å; I479-T482 PolarHBondContact O-N 3.37Å; I479-T482 VanDerWaalsContact O-N 3.07Å; T482-R484 VanDerWaalsContact C-N 3.3Å; T482-R484 PolarHBondContact O-N 3.41Å; T482-A485 WeakPolarHBondContact O-CB 3.4Å; T482-A485 PolarHBondContact O-N 2.83Å; T482-A485 VanDerWaalsContact O-N 3.15Å; T482-A486 PolarHBondContact O-N 2.81Å |
| 483 | L | 88.2 | Confident | 79 | Confident | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -35 | 175.2 | -67.1 | 172.7 | 0 | 0 | 0 | 111.8 | L463 L464 I479 Q480 A485 A486 A487 | L463-L483 HydrophobicContact CG-CD2 4.3Å; L464-L483 HydrophobicContact CD2-CD2 4.05Å; I479-L483 HydrophobicContact CG1-CG 4.43Å; I479-L483 HydrophobicContact CG2-CD1 4.28Å; I479-L483 VanDerWaalsContact O-CG 3.29Å; I479-L483 WeakPolarHBondContact O-CG 3.49Å; I479-L483 PolarHBondContact O-N 3.04Å; Q480-L483 PolarHBondContact O-N 3.45Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.77Å; L483-A486 PolarHBondContact O-N 3.35Å; L483-A487 WeakPolarHBondContact O-CB 3.43Å; L483-A487 PolarHBondContact O-N 2.91Å |
| 484 | R | 90.1 | Very high | 81.2 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 22% | 0.223 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 170.9 | -174.9 | -176.2 | 52.1 | 77 | -0.7 | 111.2 | Q480 E481 T482 W488 I521 V524 | Q480-R484 PolarHBondContact O-N 3.2Å; E481-R484 WeakPolarHBondContact O-CB 3.35Å; E481-R484 PolarHBondContact O-N 3.3Å; E481-R484 IonicContact OE2-CZ 3.82Å; E481-R484 IonicContact OE2-NE 3.37Å; E481-R484 PolarHBondContact OE2-NE 3.43Å; E481-R484 IonicContact OE2-NH2 3.83Å; E481-R484 PolarHBondContact OE2-NH2 2.9Å; E481-R484 VanDerWaalsContact OE2-NH2 3.09Å; T482-R484 VanDerWaalsContact C-N 3.3Å; T482-R484 PolarHBondContact O-N 3.41Å; R484-W488 WeakPolarHBondContact O-CB 3.16Å; R484-W488 PolarHBondContact O-N 2.67Å; R484-W488 VanDerWaalsContact O-N 3.11Å; R484-I521 HydrophobicContact CB-CB 4.48Å; R484-I521 HydrophobicContact CB-CG1 4.07Å; R484-I521 HydrophobicContact CB-CG2 3.86Å; R484-I521 HydrophobicContact CG-CG1 4.24Å; R484-I521 HydrophobicContact CG-CG2 4.27Å; R484-V524 HydrophobicContact CG-CB 4.11Å; R484-V524 HydrophobicContact CG-CG1 3.97Å; R484-V524 HydrophobicContact CG-CG2 4.19Å |
| 485 | A | 92.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A439 I443 E481 T482 L483 A487 W488 I489 | A439-A485 HydrophobicContact CB-CB 3.77Å; I443-A485 HydrophobicContact CD1-CB 3.86Å; I443-A485 HydrophobicContact CG1-CB 3.81Å; E481-A485 PolarHBondContact O-N 3.23Å; T482-A485 WeakPolarHBondContact O-CB 3.4Å; T482-A485 PolarHBondContact O-N 2.83Å; T482-A485 VanDerWaalsContact O-N 3.15Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.77Å; A485-A487 PolarHBondContact O-N 3.03Å; A485-W488 PolarHBondContact O-N 3.22Å; A485-I489 VanDerWaalsContact O-CG1 3.29Å; A485-I489 WeakPolarHBondContact O-CG1 3.16Å; A485-I489 PolarHBondContact O-N 2.91Å |
| 486 | A | 93.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.1 | -47.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | M460 L463 L464 T482 L483 W488 I489 C490 | M460-A486 HydrophobicContact CB-CB 3.94Å; M460-A486 HydrophobicContact CG-CB 4.15Å; M460-A486 VanDerWaalsContact SD-CA 3.6Å; M460-A486 HydrophobicContact SD-CB 3.59Å; M460-A486 VanDerWaalsContact SD-CB 3.59Å; L463-A486 HydrophobicContact CD2-CB 4.34Å; L464-A486 HydrophobicContact CD1-CB 4.33Å; L464-A486 HydrophobicContact CD2-CB 4.06Å; L464-A486 HydrophobicContact CG-CB 3.96Å; T482-A486 PolarHBondContact O-N 2.81Å; L483-A486 PolarHBondContact O-N 3.35Å; A486-W488 VanDerWaalsContact C-N 3.34Å; A486-W488 PolarHBondContact O-N 2.71Å; A486-I489 PolarHBondContact O-N 2.85Å; A486-C490 PolarHBondContact O-N 3.4Å; A486-C490 PolarHBondContact O-SG 3.31Å; A486-C490 VanDerWaalsContact O-SG 3.37Å |
| 487 | A | 93.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | L464 L483 A485 G491 I507 L525 N528 | L464-A487 HydrophobicContact CD2-CB 4.42Å; L483-A487 WeakPolarHBondContact O-CB 3.43Å; L483-A487 PolarHBondContact O-N 2.91Å; A485-A487 PolarHBondContact O-N 3.03Å; A487-G491 PolarHBondContact O-N 2.96Å; A487-I507 HydrophobicContact CB-CD1 4.32Å; A487-I507 HydrophobicContact CB-CG1 4.45Å; A487-L525 HydrophobicContact CB-CD2 3.37Å; A487-L525 HydrophobicContact CB-CG 4.43Å; A487-N528 VanDerWaalsContact O-CB 3.27Å; A487-N528 WeakPolarHBondContact O-CB 3.41Å |
| 488 | W | 94.8 | Very high | 88.9 | Confident | 67 Ų | 67 | 31 Ų | 31 | 25% | 0.254 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -64 | -46 | 175.1 | -173.8 | 92 | 0 | 0 | 0 | 111.8 | I443 I447 R484 A485 A486 G491 E492 V524 N528 | I443-W488 HydrophobicContact CG1-CE3 4.19Å; I443-W488 HydrophobicContact CG2-CE3 4.28Å; I443-W488 HydrophobicContact CG2-CH2 4.48Å; I443-W488 HydrophobicContact CG2-CZ3 4Å; I447-W488 HydrophobicContact CD1-CH2 3.84Å; I447-W488 HydrophobicContact CD1-CZ3 4.22Å; I447-W488 HydrophobicContact CG1-CH2 4.04Å; I447-W488 HydrophobicContact CG1-CZ3 4.22Å; R484-W488 WeakPolarHBondContact O-CB 3.16Å; R484-W488 PolarHBondContact O-N 2.67Å; R484-W488 VanDerWaalsContact O-N 3.11Å; A485-W488 PolarHBondContact O-N 3.22Å; A486-W488 VanDerWaalsContact C-N 3.34Å; A486-W488 PolarHBondContact O-N 2.71Å; W488-G491 PolarHBondContact O-N 2.93Å; W488-E492 HydrophobicContact CD2-CB 4.49Å; W488-E492 HydrophobicContact CE3-CB 4.4Å; W488-E492 HydrophobicContact CH2-CB 4.19Å; W488-E492 HydrophobicContact CH2-CG 3.88Å; W488-E492 HydrophobicContact CZ2-CB 4.3Å; W488-E492 HydrophobicContact CZ2-CG 4.04Å; W488-E492 HydrophobicContact CZ3-CB 4.25Å; W488-E492 HydrophobicContact CZ3-CG 4.36Å; W488-E492 WeakPolarHBondContact O-CB 3.49Å; W488-E492 PolarHBondContact O-N 3.09Å; W488-V524 HydrophobicContact CB-CG1 4.24Å; W488-N528 WeakPolarHBondContact CA-ND2 3.46Å |
| 489 | I | 96 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 179 | -67.8 | 164.6 | 0 | 0 | 0 | 110.8 | L442 V457 M460 A485 A486 G491 Y493 | L442-I489 HydrophobicContact CB-CD1 4.07Å; V457-I489 HydrophobicContact CG2-CG2 3.88Å; M460-I489 HydrophobicContact CG-CB 4.09Å; M460-I489 HydrophobicContact CG-CD1 3.88Å; M460-I489 HydrophobicContact CG-CG2 3.97Å; M460-I489 HydrophobicContact SD-CD1 4.12Å; A485-I489 VanDerWaalsContact O-CG1 3.29Å; A485-I489 WeakPolarHBondContact O-CG1 3.16Å; A485-I489 PolarHBondContact O-N 2.91Å; A486-I489 PolarHBondContact O-N 2.85Å; I489-G491 VanDerWaalsContact C-N 3.29Å; I489-G491 PolarHBondContact O-N 3.46Å; I489-Y493 HydrophobicContact CG2-CD2 4.18Å; I489-Y493 PolarHBondContact O-N 3.47Å |
| 490 | C | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.1 | -32.9 | 176.9 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | L464 A486 A494 L497 T503 I532 | L464-C490 HydrophobicContact CD1-CB 4.36Å; A486-C490 PolarHBondContact O-N 3.4Å; A486-C490 PolarHBondContact O-SG 3.31Å; A486-C490 VanDerWaalsContact O-SG 3.37Å; C490-A494 WeakPolarHBondContact O-CA 3.46Å; C490-A494 WeakPolarHBondContact O-CB 3.28Å; C490-A494 PolarHBondContact O-N 2.87Å; C490-L497 HydrophobicContact CB-CD2 4.32Å; C490-T503 HydrophobicContact CB-CG2 4.02Å; C490-I532 HydrophobicContact CB-CD1 4.22Å |
| 491 | G | 92.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.7 | -44.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A487 W488 I489 Y493 K531 | A487-G491 PolarHBondContact O-N 2.96Å; W488-G491 PolarHBondContact O-N 2.93Å; I489-G491 VanDerWaalsContact C-N 3.29Å; I489-G491 PolarHBondContact O-N 3.46Å; G491-Y493 VanDerWaalsContact C-N 3.34Å; G491-K531 VanDerWaalsContact O-CD 3.29Å; G491-K531 WeakPolarHBondContact O-CD 3.48Å |
| 492 | E | 91.9 | Very high | 91.8 | Very high | 88 Ų | 88 | 40.2 Ų | 40.2 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.2 | -37.2 | -179.8 | -169.1 | 63.1 | -165.9 | 0 | 0 | 112 | W488 K531 | W488-E492 HydrophobicContact CD2-CB 4.49Å; W488-E492 HydrophobicContact CE3-CB 4.4Å; W488-E492 HydrophobicContact CH2-CB 4.19Å; W488-E492 HydrophobicContact CH2-CG 3.88Å; W488-E492 HydrophobicContact CZ2-CB 4.3Å; W488-E492 HydrophobicContact CZ2-CG 4.04Å; W488-E492 HydrophobicContact CZ3-CB 4.25Å; W488-E492 HydrophobicContact CZ3-CG 4.36Å; W488-E492 WeakPolarHBondContact O-CB 3.49Å; W488-E492 PolarHBondContact O-N 3.09Å; E492-K531 IonicContact OE2-NZ 3.69Å; E492-K531 PolarHBondContact OE2-NZ 3.26Å |
| 493 | Y | 92.6 | Very high | 92 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.4 | 39.2 | -177.8 | -52.2 | -52.6 | 0 | 0 | 0 | 111.8 | R453 V457 I489 G491 D495 S496 | R453-Y493 VanDerWaalsContact CD-CD1 3.42Å; R453-Y493 VanDerWaalsContact CD-CE1 3.49Å; R453-Y493 VanDerWaalsContact CD-CG 3.47Å; R453-Y493 HydrophobicContact CG-CD1 4.22Å; R453-Y493 HydrophobicContact CG-CD2 3.54Å; R453-Y493 HydrophobicContact CG-CE1 4.46Å; R453-Y493 HydrophobicContact CG-CE2 3.82Å; R453-Y493 HydrophobicContact CG-CG 3.74Å; V457-Y493 HydrophobicContact CG2-CD2 4.24Å; V457-Y493 HydrophobicContact CG2-CG 4.39Å; I489-Y493 HydrophobicContact CG2-CD2 4.18Å; I489-Y493 PolarHBondContact O-N 3.47Å; G491-Y493 VanDerWaalsContact C-N 3.34Å; Y493-D495 PolarHBondContact O-N 3.41Å; Y493-S496 WeakPolarHBondContact O-CB 3.49Å; Y493-S496 PolarHBondContact O-N 3.13Å |
| 494 | A | 91 | Very high | 92.2 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.4 | -27.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | C490 S496 L497 I532 V535 | C490-A494 WeakPolarHBondContact O-CA 3.46Å; C490-A494 WeakPolarHBondContact O-CB 3.28Å; C490-A494 PolarHBondContact O-N 2.87Å; A494-S496 PolarHBondContact O-N 2.97Å; A494-L497 HydrophobicContact CB-CD1 4.21Å; A494-L497 WeakPolarHBondContact O-CB 3.43Å; A494-L497 PolarHBondContact O-N 3.11Å; A494-I532 HydrophobicContact CB-CG1 4.04Å; A494-V535 HydrophobicContact CB-CB 4.27Å; A494-V535 HydrophobicContact CB-CG2 3.65Å |
| 495 | D | 88.8 | Confident | 92.2 | Very high | 115 Ų | 115 | 41 Ų | 41 | 62% | 0.615 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -64.8 | -20.5 | 174.5 | -68.3 | -63.5 | 0 | 0 | 0 | 113.1 | Y493 K538 | Y493-D495 PolarHBondContact O-N 3.41Å; D495-K538 IonicContact OD1-NZ 2.69Å; D495-K538 PolarHBondContact OD1-NZ 3.16Å |
| 496 | S | 90.5 | Very high | 92.1 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 29% | 0.287 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -89.3 | 2.6 | 177.4 | -59.4 | 0 | 0 | 0 | 0 | 113.8 | Y493 A494 | Y493-S496 WeakPolarHBondContact O-CB 3.49Å; Y493-S496 PolarHBondContact O-N 3.13Å; A494-S496 PolarHBondContact O-N 2.97Å |
| 497 | L | 91.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | trans | -78.4 | 128.7 | 179.9 | -73.8 | 167 | 0 | 0 | 0 | 111.8 | V457 A461 C490 A494 P500 T503 I532 | V457-L497 HydrophobicContact CG1-CD2 3.36Å; V457-L497 HydrophobicContact CG1-CG 3.7Å; A461-L497 HydrophobicContact CB-CD2 4.04Å; C490-L497 HydrophobicContact CB-CD2 4.32Å; A494-L497 HydrophobicContact CB-CD1 4.21Å; A494-L497 WeakPolarHBondContact O-CB 3.43Å; A494-L497 PolarHBondContact O-N 3.11Å; L497-P500 HydrophobicContact CB-CB 4.1Å; L497-P500 HydrophobicContact CD1-CB 4.17Å; L497-T503 HydrophobicContact CD1-CG2 4.33Å; L497-T503 HydrophobicContact CD2-CG2 4.14Å; L497-I532 HydrophobicContact CD1-CD1 4.26Å; L497-I532 HydrophobicContact CD1-CG1 4.04Å; L497-I532 HydrophobicContact CD1-CG2 4.23Å | ||
| 498 | N | 89.5 | Confident | 91.7 | Very high | 115 Ų | 115 | 41.3 Ų | 41.3 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -66.4 | -46.9 | 173 | -66.7 | -22.2 | 0 | 0 | 0 | 112 | E458 P500 | E458-N498 PolarHBondContact OE1-ND2 2.98Å; N498-P500 WeakPolarHBondContact O-CD 3.48Å |
| 499 | N | 90.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | trans | -125.8 | 72.6 | -177 | -68.6 | -34.1 | 0 | 0 | 0 | 111.6 | E501 Q502 T503 | N499-E501 VanDerWaalsContact C-N 3.27Å; N499-E501 PolarHBondContact O-N 3.17Å; N499-Q502 HydrophobicContact CB-CB 4.12Å; N499-Q502 PolarHBondContact O-N 2.79Å; N499-Q502 VanDerWaalsContact O-N 3.16Å; N499-T503 PolarHBondContact O-N 3.12Å; N499-T503 PolarHBondContact O-OG1 3.49Å | ||
| 500 | P | 91.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 39.6 Ų | 39.6 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -28.9 | -172.8 | 27.4 | -36.1 | 0 | 0 | 0 | 113.4 | L497 N498 L504 I532 V536 | L497-P500 HydrophobicContact CB-CB 4.1Å; L497-P500 HydrophobicContact CD1-CB 4.17Å; N498-P500 WeakPolarHBondContact O-CD 3.48Å; P500-L504 VanDerWaalsContact O-CB 3.29Å; P500-L504 WeakPolarHBondContact O-CB 3.49Å; P500-L504 PolarHBondContact O-N 3.28Å; P500-I532 HydrophobicContact CB-CG2 4.07Å; P500-I532 VanDerWaalsContact O-CG2 3.3Å; P500-I532 WeakPolarHBondContact O-CG2 2.95Å; P500-V536 HydrophobicContact CB-CG2 3.71Å; P500-V536 HydrophobicContact CG-CG2 4.08Å |
| 501 | E | 91.7 | Very high | 90 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 41% | 0.411 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 175 | -72.4 | 176 | -158 | 0 | 0 | 112.4 | N499 L504 N505 V536 I540 | N499-E501 VanDerWaalsContact C-N 3.27Å; N499-E501 PolarHBondContact O-N 3.17Å; E501-L504 PolarHBondContact O-N 3.25Å; E501-N505 PolarHBondContact O-N 2.96Å; E501-N505 VanDerWaalsContact O-N 3.11Å; E501-N505 PolarHBondContact O-ND2 2.97Å; E501-V536 HydrophobicContact CG-CB 4.45Å; E501-V536 HydrophobicContact CG-CG1 3.48Å; E501-V536 VanDerWaalsContact CG-CG1 3.48Å; E501-V536 HydrophobicContact CG-CG2 4.07Å; E501-I540 WeakPolarHBondContact OE1-CG1 3.31Å |
| 502 | Q | 91.9 | Very high | 89.3 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.3 | -48.2 | 177.1 | -175.1 | -180 | -7.1 | 0 | 0 | 110.2 | D465 N499 L504 N505 S506 | D465-Q502 VanDerWaalsContact CG-NE2 3.29Å; D465-Q502 PolarHBondContact OD1-NE2 3.13Å; D465-Q502 VanDerWaalsContact OD1-NE2 3.1Å; D465-Q502 PolarHBondContact OD2-NE2 2.97Å; D465-Q502 VanDerWaalsContact OD2-NE2 3.11Å; N499-Q502 HydrophobicContact CB-CB 4.12Å; N499-Q502 PolarHBondContact O-N 2.79Å; N499-Q502 VanDerWaalsContact O-N 3.16Å; Q502-L504 VanDerWaalsContact C-N 3.29Å; Q502-L504 PolarHBondContact O-N 3.02Å; Q502-N505 PolarHBondContact O-N 3.03Å; Q502-N505 VanDerWaalsContact O-N 3.13Å; Q502-S506 PolarHBondContact O-N 3.28Å; Q502-S506 PolarHBondContact O-OG 3.03Å; Q502-S506 VanDerWaalsContact O-OG 3.12Å |
| 503 | T | 93.1 | Very high | 88.2 | Confident | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -39.3 | 177.8 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | A461 L464 C490 L497 N499 S506 I507 I532 | A461-T503 HydrophobicContact CB-CG2 4.37Å; L464-T503 HydrophobicContact CD1-CG2 4.14Å; C490-T503 HydrophobicContact CB-CG2 4.02Å; L497-T503 HydrophobicContact CD1-CG2 4.33Å; L497-T503 HydrophobicContact CD2-CG2 4.14Å; N499-T503 PolarHBondContact O-N 3.12Å; N499-T503 PolarHBondContact O-OG1 3.49Å; T503-S506 PolarHBondContact O-N 3.16Å; T503-I507 HydrophobicContact CG2-CD1 4.16Å; T503-I507 WeakPolarHBondContact O-CG1 3.44Å; T503-I507 PolarHBondContact O-N 3.36Å; T503-I532 HydrophobicContact CG2-CD1 4.08Å |
| 504 | L | 93.1 | Very high | 87 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.4 | -48.7 | 174.6 | 178.1 | 60.1 | 0 | 0 | 0 | 111.3 | P500 E501 Q502 S506 I507 V508 A529 I532 V536 L602 L606 | P500-L504 VanDerWaalsContact O-CB 3.29Å; P500-L504 WeakPolarHBondContact O-CB 3.49Å; P500-L504 PolarHBondContact O-N 3.28Å; E501-L504 PolarHBondContact O-N 3.25Å; Q502-L504 VanDerWaalsContact C-N 3.29Å; Q502-L504 PolarHBondContact O-N 3.02Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.89Å; L504-I507 PolarHBondContact O-N 3.3Å; L504-V508 HydrophobicContact CD1-CG2 4.24Å; L504-V508 VanDerWaalsContact O-CG2 3.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.5Å; L504-V508 PolarHBondContact O-N 3.02Å; L504-A529 HydrophobicContact CD1-CB 3.78Å; L504-A529 WeakPolarHBondContact CD1-O 3.48Å; L504-I532 HydrophobicContact CB-CG2 3.88Å; L504-I532 HydrophobicContact CD1-CB 4.48Å; L504-V536 HydrophobicContact CD2-CG2 4.37Å; L504-L602 HydrophobicContact CD2-CD1 4.46Å; L504-L606 HydrophobicContact CD1-CD1 4.23Å |
| 505 | N | 90.6 | Very high | 85.6 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 39% | 0.39 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.5 | -74.3 | -37.3 | 0 | 0 | 0 | 111.4 | E501 Q502 I507 V508 S509 F605 | E501-N505 PolarHBondContact O-N 2.96Å; E501-N505 VanDerWaalsContact O-N 3.11Å; E501-N505 PolarHBondContact O-ND2 2.97Å; Q502-N505 PolarHBondContact O-N 3.03Å; Q502-N505 VanDerWaalsContact O-N 3.13Å; N505-I507 PolarHBondContact O-N 3.04Å; N505-V508 PolarHBondContact O-N 2.69Å; N505-S509 WeakPolarHBondContact O-CB 3.23Å; N505-S509 PolarHBondContact O-N 3.04Å; N505-S509 PolarHBondContact O-OG 3.26Å; N505-F605 WeakPolarHBondContact OD1-CE1 3.39Å; N505-F605 WeakPolarHBondContact OD1-CZ 3.45Å |
| 506 | S | 90 | Very high | 84.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.014 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 178.5 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | D465 Q502 T503 L504 V508 S509 I510 | D465-S506 PolarHBondContact OD1-OG 3.36Å; Q502-S506 PolarHBondContact O-N 3.28Å; Q502-S506 PolarHBondContact O-OG 3.03Å; Q502-S506 VanDerWaalsContact O-OG 3.12Å; T503-S506 PolarHBondContact O-N 3.16Å; L504-S506 VanDerWaalsContact C-N 3.34Å; L504-S506 PolarHBondContact O-N 2.89Å; S506-V508 PolarHBondContact O-N 3.31Å; S506-S509 PolarHBondContact O-N 3.13Å; S506-I510 WeakPolarHBondContact O-CB 3.34Å; S506-I510 WeakPolarHBondContact O-CD1 3.34Å; S506-I510 WeakPolarHBondContact O-CG1 3.42Å; S506-I510 PolarHBondContact O-N 3.46Å |
| 507 | I | 90.1 | Very high | 83.9 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -42.5 | 177 | -70.3 | 168.7 | 0 | 0 | 0 | 111.9 | L464 A487 T503 L504 N505 I510 A511 L525 A529 I532 | L464-I507 HydrophobicContact CD1-CD1 4.05Å; L464-I507 HydrophobicContact CD1-CG1 3.86Å; L464-I507 HydrophobicContact CD2-CG1 4.35Å; A487-I507 HydrophobicContact CB-CD1 4.32Å; A487-I507 HydrophobicContact CB-CG1 4.45Å; T503-I507 HydrophobicContact CG2-CD1 4.16Å; T503-I507 WeakPolarHBondContact O-CG1 3.44Å; T503-I507 PolarHBondContact O-N 3.36Å; L504-I507 PolarHBondContact O-N 3.3Å; N505-I507 PolarHBondContact O-N 3.04Å; I507-I510 PolarHBondContact O-N 3.37Å; I507-A511 WeakPolarHBondContact O-CB 3.41Å; I507-A511 PolarHBondContact O-N 2.87Å; I507-L525 HydrophobicContact CG2-CB 4.02Å; I507-L525 HydrophobicContact CG2-CD2 3.87Å; I507-L525 WeakPolarHBondContact CG2-O 3.4Å; I507-A529 HydrophobicContact CB-CB 4.48Å; I507-A529 HydrophobicContact CG2-CB 3.74Å; I507-I532 HydrophobicContact CD1-CD1 3.36Å |
| 508 | V | 88.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 178.9 | 169.6 | 0 | 0 | 0 | 0 | 111 | L504 N505 S506 A511 L512 A529 L606 R609 | L504-V508 HydrophobicContact CD1-CG2 4.24Å; L504-V508 VanDerWaalsContact O-CG2 3.31Å; L504-V508 WeakPolarHBondContact O-CG2 3.5Å; L504-V508 PolarHBondContact O-N 3.02Å; N505-V508 PolarHBondContact O-N 2.69Å; S506-V508 PolarHBondContact O-N 3.31Å; V508-A511 PolarHBondContact O-N 2.69Å; V508-L512 HydrophobicContact CG1-CD1 3.93Å; V508-L512 WeakPolarHBondContact O-CG 3.31Å; V508-L512 PolarHBondContact O-N 3.05Å; V508-L512 VanDerWaalsContact O-N 3.16Å; V508-A529 HydrophobicContact CG2-CB 4.24Å; V508-L606 HydrophobicContact CG2-CD1 3.89Å; V508-R609 HydrophobicContact CG1-CB 3.73Å; V508-R609 HydrophobicContact CG1-CG 3.69Å |
| 509 | S | 85.6 | Confident | 83 | Confident | 26 Ų | 26 | 40.9 Ų | 40.9 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.6 | -78.5 | 0 | 0 | 0 | 0 | 111.5 | N505 S506 A511 L512 E513 | N505-S509 WeakPolarHBondContact O-CB 3.23Å; N505-S509 PolarHBondContact O-N 3.04Å; N505-S509 PolarHBondContact O-OG 3.26Å; S506-S509 PolarHBondContact O-N 3.13Å; S509-A511 VanDerWaalsContact C-N 3.3Å; S509-A511 PolarHBondContact O-N 3.29Å; S509-L512 PolarHBondContact O-N 3.18Å; S509-L512 VanDerWaalsContact O-N 3.14Å; S509-E513 VanDerWaalsContact O-CB 3.25Å; S509-E513 WeakPolarHBondContact O-CB 3.44Å; S509-E513 WeakPolarHBondContact O-CG 3.16Å; S509-E513 PolarHBondContact O-N 2.92Å |
| 510 | I | 83.9 | Confident | 82.6 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 176.5 | -71.4 | 164.1 | 0 | 0 | 0 | 110.8 | L464 S467 S506 I507 L512 L514 L525 | L464-I510 HydrophobicContact CB-CD1 4.08Å; L464-I510 HydrophobicContact CD2-CD1 3.53Å; L464-I510 HydrophobicContact CG-CD1 4.43Å; S467-I510 WeakPolarHBondContact OG-CD1 3.24Å; S506-I510 WeakPolarHBondContact O-CB 3.34Å; S506-I510 WeakPolarHBondContact O-CD1 3.34Å; S506-I510 WeakPolarHBondContact O-CG1 3.42Å; S506-I510 PolarHBondContact O-N 3.46Å; I507-I510 PolarHBondContact O-N 3.37Å; I510-L512 VanDerWaalsContact C-N 3.29Å; I510-L512 PolarHBondContact O-N 3.43Å; I510-L514 HydrophobicContact CB-CD1 4.12Å; I510-L514 HydrophobicContact CG1-CD1 4.37Å; I510-L514 HydrophobicContact CG2-CD1 3.56Å; I510-L514 WeakPolarHBondContact O-CB 3.41Å; I510-L514 PolarHBondContact O-N 3.26Å; I510-L525 HydrophobicContact CG2-CD1 3.76Å; I510-L525 HydrophobicContact CG2-CD2 4.24Å |
| 511 | A | 81.4 | Confident | 82.3 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -43.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I507 V508 S509 L525 Y613 | I507-A511 WeakPolarHBondContact O-CB 3.41Å; I507-A511 PolarHBondContact O-N 2.87Å; V508-A511 PolarHBondContact O-N 2.69Å; S509-A511 VanDerWaalsContact C-N 3.3Å; S509-A511 PolarHBondContact O-N 3.29Å; A511-L525 HydrophobicContact CB-CB 4.25Å; A511-L525 HydrophobicContact CB-CD1 4.15Å; A511-Y613 HydrophobicContact CB-CE2 4.48Å; A511-Y613 VanDerWaalsContact CB-OH 3.31Å; A511-Y613 WeakPolarHBondContact CB-OH 3.5Å; A511-Y613 PolarHBondContact O-OH 3.35Å |
| 512 | L | 76.9 | Confident | 82 | Confident | 41 Ų | 41 | 35.8 Ų | 35.8 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -84.6 | -37.8 | -171.3 | -69.9 | 172.5 | 0 | 0 | 0 | 114.1 | V508 S509 I510 R609 Q612 Y613 | V508-L512 HydrophobicContact CG1-CD1 3.93Å; V508-L512 WeakPolarHBondContact O-CG 3.31Å; V508-L512 PolarHBondContact O-N 3.05Å; V508-L512 VanDerWaalsContact O-N 3.16Å; S509-L512 PolarHBondContact O-N 3.18Å; S509-L512 VanDerWaalsContact O-N 3.14Å; I510-L512 VanDerWaalsContact C-N 3.29Å; I510-L512 PolarHBondContact O-N 3.43Å; L512-R609 HydrophobicContact CD1-CB 4.18Å; L512-R609 HydrophobicContact CD1-CG 4.35Å; L512-Q612 HydrophobicContact CD2-CB 4.35Å; L512-Q612 HydrophobicContact CD2-CG 4.49Å; L512-Y613 WeakPolarHBondContact CA-OH 3.2Å; L512-Y613 HydrophobicContact CD2-CE2 3.7Å; L512-Y613 HydrophobicContact CG-CE2 4.42Å; L512-Y613 PolarHBondContact N-OH 2.85Å |
| 513 | E | 69.6 | Low | 81.7 | Confident | 128 Ų | 128 | 31.5 Ų | 31.5 | 60% | 0.598 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -95.2 | -15.8 | -166.1 | -64.6 | 175 | -170.3 | 0 | 0 | 113.3 | S509 P515 | S509-E513 VanDerWaalsContact O-CB 3.25Å; S509-E513 WeakPolarHBondContact O-CB 3.44Å; S509-E513 WeakPolarHBondContact O-CG 3.16Å; S509-E513 PolarHBondContact O-N 2.92Å; E513-P515 WeakPolarHBondContact O-CD 3.48Å |
| 514 | L | 66.6 | Low | 81.5 | Confident | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.094 | 20% | 0.199 | C | C | . | . | trans | -85.8 | 104.9 | 178.6 | -97 | 131.8 | 0 | 0 | 0 | 112.5 | T471 I510 | T471-L514 HydrophobicContact CG2-CD1 4.1Å; T471-L514 HydrophobicContact CG2-CD2 3.68Å; T471-L514 HydrophobicContact CG2-CG 4.25Å; I510-L514 HydrophobicContact CB-CD1 4.12Å; I510-L514 HydrophobicContact CG1-CD1 4.37Å; I510-L514 HydrophobicContact CG2-CD1 3.56Å; I510-L514 WeakPolarHBondContact O-CB 3.41Å; I510-L514 PolarHBondContact O-N 3.26Å | ||
| 515 | P | 62.2 | Low | 81.3 | Confident | 116 Ų | 116 | 32.2 Ų | 32.2 | 75% | 0.753 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 136.9 | 169.8 | 28.1 | -34.4 | 0 | 0 | 0 | 110.8 | E513 | E513-P515 WeakPolarHBondContact O-CD 3.48Š|
| 516 | G | 67.9 | Low | 81.2 | Confident | 48 Ų | 48 | 28.8 Ų | 28.8 | 50% | 0.495 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 4.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q476 | Q476-G516 PolarHBondContact NE2-O 3.37Å; Q476-G516 PolarHBondContact OE1-O 3.49Å |
| 517 | L | 75.6 | Confident | 81.3 | Confident | 14 Ų | 14 | 31.9 Ų | 31.9 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | trans | -60.7 | 133.9 | 172.4 | -169.5 | 64.4 | 0 | 0 | 0 | 110.7 | Q480 I521 Q522 L525 | Q480-L517 HydrophobicContact CB-CD1 4.13Å; Q480-L517 HydrophobicContact CG-CD1 3.97Å; L517-I521 HydrophobicContact CD1-CB 3.84Å; L517-I521 HydrophobicContact CD1-CD1 3.74Å; L517-I521 HydrophobicContact CD1-CG1 4.42Å; L517-I521 HydrophobicContact CD1-CG2 3.7Å; L517-I521 HydrophobicContact CD2-CB 4.37Å; L517-I521 HydrophobicContact CD2-CG2 4.06Å; L517-I521 HydrophobicContact CG-CB 4Å; L517-I521 HydrophobicContact CG-CG2 4.09Å; L517-Q522 HydrophobicContact CB-CG 4.29Å; L517-Q522 HydrophobicContact CD2-CG 3.68Å; L517-Q522 HydrophobicContact CG-CG 4.02Å; L517-L525 HydrophobicContact CD2-CD1 3.52Å | ||
| 518 | S | 81 | Confident | 81.4 | Confident | 41 Ų | 41 | 32 Ų | 32 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | trans | -65.2 | 145.6 | 177.9 | 71.2 | 0 | 0 | 0 | 0 | 111.2 | S520 I521 Q522 | S518-S520 PolarHBondContact O-N 3.09Å; S518-S520 PolarHBondContact OG-OG 2.8Å; S518-S520 VanDerWaalsContact OG-OG 3.1Å; S518-I521 PolarHBondContact O-N 3.24Å; S518-I521 WeakPolarHBondContact OG-CD1 3.46Å; S518-I521 WeakPolarHBondContact OG-CG1 3.36Å; S518-Q522 PolarHBondContact O-N 3.13Å; S518-Q522 VanDerWaalsContact O-N 3.09Å | ||
| 519 | S | 80.9 | Confident | 81.6 | Confident | 39 Ų | 39 | 31.8 Ų | 31.8 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.3 | -34.4 | -179.2 | -45.9 | 0 | 0 | 0 | 0 | 112.7 | I521 Q522 A523 D618 V621 | S519-I521 VanDerWaalsContact C-N 3.32Å; S519-I521 PolarHBondContact O-N 2.84Å; S519-Q522 PolarHBondContact O-N 3.18Å; S519-A523 WeakPolarHBondContact O-CB 3.42Å; S519-A523 PolarHBondContact O-N 3.05Å; S519-D618 VanDerWaalsContact CB-CB 3.46Å; S519-D618 WeakPolarHBondContact CB-OD2 3.49Å; S519-D618 WeakPolarHBondContact OG-CB 3.29Å; S519-D618 PolarHBondContact OG-OD2 3.34Å; S519-V621 WeakPolarHBondContact O-CG2 3.35Å |
| 520 | S | 81.8 | Confident | 82 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 43% | 0.427 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 112 | S518 V524 | S518-S520 PolarHBondContact O-N 3.09Å; S518-S520 PolarHBondContact OG-OG 2.8Å; S518-S520 VanDerWaalsContact OG-OG 3.1Å; S520-V524 WeakPolarHBondContact O-CG2 3.32Å; S520-V524 PolarHBondContact O-N 3.32Å |
| 521 | I | 85.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.6 | -42.4 | 177.3 | -58.1 | 165.6 | 0 | 0 | 0 | 110.4 | Q480 R484 L517 S518 S519 A523 V524 L525 | Q480-I521 HydrophobicContact CB-CD1 3.85Å; R484-I521 HydrophobicContact CB-CB 4.48Å; R484-I521 HydrophobicContact CB-CG1 4.07Å; R484-I521 HydrophobicContact CB-CG2 3.86Å; R484-I521 HydrophobicContact CG-CG1 4.24Å; R484-I521 HydrophobicContact CG-CG2 4.27Å; L517-I521 HydrophobicContact CD1-CB 3.84Å; L517-I521 HydrophobicContact CD1-CD1 3.74Å; L517-I521 HydrophobicContact CD1-CG1 4.42Å; L517-I521 HydrophobicContact CD1-CG2 3.7Å; L517-I521 HydrophobicContact CD2-CB 4.37Å; L517-I521 HydrophobicContact CD2-CG2 4.06Å; L517-I521 HydrophobicContact CG-CB 4Å; L517-I521 HydrophobicContact CG-CG2 4.09Å; S518-I521 PolarHBondContact O-N 3.24Å; S518-I521 WeakPolarHBondContact OG-CD1 3.46Å; S518-I521 WeakPolarHBondContact OG-CG1 3.36Å; S519-I521 VanDerWaalsContact C-N 3.32Å; S519-I521 PolarHBondContact O-N 2.84Å; I521-A523 VanDerWaalsContact C-N 3.29Å; I521-A523 PolarHBondContact O-N 2.96Å; I521-V524 PolarHBondContact O-N 3.3Å; I521-V524 VanDerWaalsContact O-N 3.1Å; I521-L525 HydrophobicContact CG2-CD1 4.07Å; I521-L525 HydrophobicContact CG2-CG 4.26Å; I521-L525 WeakPolarHBondContact O-CG 3.23Å; I521-L525 PolarHBondContact O-N 3.08Å |
| 522 | Q | 85.4 | Confident | 83 | Confident | 33 Ų | 33 | 31.5 Ų | 31.5 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.1 | -45.7 | 175.1 | -71 | 178.4 | -6.7 | 0 | 0 | 111.6 | L517 S518 S519 V524 L525 I526 V621 | L517-Q522 HydrophobicContact CB-CG 4.29Å; L517-Q522 HydrophobicContact CD2-CG 3.68Å; L517-Q522 HydrophobicContact CG-CG 4.02Å; S518-Q522 PolarHBondContact O-N 3.13Å; S518-Q522 VanDerWaalsContact O-N 3.09Å; S519-Q522 PolarHBondContact O-N 3.18Å; Q522-V524 VanDerWaalsContact C-N 3.28Å; Q522-V524 PolarHBondContact O-N 2.94Å; Q522-L525 PolarHBondContact O-N 3.01Å; Q522-I526 WeakPolarHBondContact O-CB 3.16Å; Q522-I526 WeakPolarHBondContact O-CD1 3.46Å; Q522-I526 VanDerWaalsContact O-CG1 3.24Å; Q522-I526 WeakPolarHBondContact O-CG1 3.32Å; Q522-I526 PolarHBondContact O-N 3.37Å; Q522-V621 HydrophobicContact CB-CG1 4.45Å; Q522-V621 HydrophobicContact CB-CG2 3.93Å |
| 523 | A | 85.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S519 I521 F527 E620 V621 R624 | S519-A523 WeakPolarHBondContact O-CB 3.42Å; S519-A523 PolarHBondContact O-N 3.05Å; I521-A523 VanDerWaalsContact C-N 3.29Å; I521-A523 PolarHBondContact O-N 2.96Å; A523-F527 WeakPolarHBondContact O-CB 3.45Å; A523-F527 PolarHBondContact O-N 3.36Å; A523-E620 HydrophobicContact CB-CG 4.04Å; A523-V621 HydrophobicContact CB-CG2 4.06Å; A523-R624 VanDerWaalsContact C-NH1 3.34Å; A523-R624 WeakPolarHBondContact O-CD 3.35Å; A523-R624 PolarHBondContact O-NH1 2.85Å |
| 524 | V | 89.1 | Confident | 84.9 | Confident | 23 Ų | 23 | 23.5 Ų | 23.5 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.6 | -44.4 | 176.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | R484 W488 S520 I521 Q522 F527 N528 | R484-V524 HydrophobicContact CG-CB 4.11Å; R484-V524 HydrophobicContact CG-CG1 3.97Å; R484-V524 HydrophobicContact CG-CG2 4.19Å; W488-V524 HydrophobicContact CB-CG1 4.24Å; S520-V524 WeakPolarHBondContact O-CG2 3.32Å; S520-V524 PolarHBondContact O-N 3.32Å; I521-V524 PolarHBondContact O-N 3.3Å; I521-V524 VanDerWaalsContact O-N 3.1Å; Q522-V524 VanDerWaalsContact C-N 3.28Å; Q522-V524 PolarHBondContact O-N 2.94Å; V524-F527 PolarHBondContact O-N 3.34Å; V524-N528 VanDerWaalsContact CG1-ND2 3.29Å; V524-N528 WeakPolarHBondContact CG1-ND2 3.21Å; V524-N528 WeakPolarHBondContact O-CB 3.34Å; V524-N528 PolarHBondContact O-N 2.87Å; V524-N528 PolarHBondContact O-ND2 3.35Å |
| 525 | L | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -49.7 | 178.3 | -70.7 | 168.3 | 0 | 0 | 0 | 111.8 | A487 I507 I510 A511 L517 I521 Q522 F527 N528 A529 | A487-L525 HydrophobicContact CB-CD2 3.37Å; A487-L525 HydrophobicContact CB-CG 4.43Å; I507-L525 HydrophobicContact CG2-CB 4.02Å; I507-L525 HydrophobicContact CG2-CD2 3.87Å; I507-L525 WeakPolarHBondContact CG2-O 3.4Å; I510-L525 HydrophobicContact CG2-CD1 3.76Å; I510-L525 HydrophobicContact CG2-CD2 4.24Å; A511-L525 HydrophobicContact CB-CB 4.25Å; A511-L525 HydrophobicContact CB-CD1 4.15Å; L517-L525 HydrophobicContact CD2-CD1 3.52Å; I521-L525 HydrophobicContact CG2-CD1 4.07Å; I521-L525 HydrophobicContact CG2-CG 4.26Å; I521-L525 WeakPolarHBondContact O-CG 3.23Å; I521-L525 PolarHBondContact O-N 3.08Å; Q522-L525 PolarHBondContact O-N 3.01Å; L525-F527 VanDerWaalsContact C-N 3.32Å; L525-F527 PolarHBondContact O-N 3.4Å; L525-N528 PolarHBondContact O-N 2.86Å; L525-A529 WeakPolarHBondContact O-CB 3.41Å; L525-A529 PolarHBondContact O-N 2.83Å |
| 526 | I | 88.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.9 | -46.7 | -179.2 | -68.9 | 164.8 | 0 | 0 | 0 | 110.7 | Q522 F530 F610 Y613 V621 I628 | Q522-I526 WeakPolarHBondContact O-CB 3.16Å; Q522-I526 WeakPolarHBondContact O-CD1 3.46Å; Q522-I526 VanDerWaalsContact O-CG1 3.24Å; Q522-I526 WeakPolarHBondContact O-CG1 3.32Å; Q522-I526 PolarHBondContact O-N 3.37Å; I526-F530 PolarHBondContact O-N 2.92Å; I526-F610 HydrophobicContact CB-CE1 4.09Å; I526-F610 HydrophobicContact CB-CZ 4.41Å; I526-F610 HydrophobicContact CG1-CD1 4.14Å; I526-F610 HydrophobicContact CG1-CE1 3.94Å; I526-F610 HydrophobicContact CG2-CD1 4.01Å; I526-F610 HydrophobicContact CG2-CD2 4.42Å; I526-F610 HydrophobicContact CG2-CE1 3.86Å; I526-F610 HydrophobicContact CG2-CE2 4.26Å; I526-F610 HydrophobicContact CG2-CG 4.3Å; I526-F610 HydrophobicContact CG2-CZ 3.98Å; I526-F610 WeakPolarHBondContact O-CZ 3.15Å; I526-Y613 HydrophobicContact CD1-CD1 3.84Å; I526-Y613 HydrophobicContact CD1-CD2 3.66Å; I526-Y613 HydrophobicContact CD1-CE1 4.23Å; I526-Y613 HydrophobicContact CD1-CE2 4.07Å; I526-Y613 HydrophobicContact CD1-CG 3.54Å; I526-Y613 HydrophobicContact CG1-CD2 4.17Å; I526-Y613 HydrophobicContact CG1-CE2 4.26Å; I526-V621 HydrophobicContact CD1-CG1 3.82Å; I526-I628 HydrophobicContact CG2-CD1 3.69Å |
| 527 | F | 91 | Very high | 88.9 | Confident | 68 Ų | 68 | 15.3 Ų | 15.3 | 30% | 0.298 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -66.5 | -41.6 | -178.4 | -171.4 | -111.3 | 0 | 0 | 0 | 112.4 | A523 V524 L525 F530 K531 I628 F748 | A523-F527 WeakPolarHBondContact O-CB 3.45Å; A523-F527 PolarHBondContact O-N 3.36Å; V524-F527 PolarHBondContact O-N 3.34Å; L525-F527 VanDerWaalsContact C-N 3.32Å; L525-F527 PolarHBondContact O-N 3.4Å; F527-F530 WeakPolarHBondContact O-CB 3.49Å; F527-F530 PolarHBondContact O-N 2.71Å; F527-K531 VanDerWaalsContact CE1-CE 3.42Å; F527-K531 PolarHBondContact O-N 2.79Å; F527-I628 HydrophobicContact CD2-CD1 4.35Å; F527-F748 HydrophobicContact CZ-CE1 4.41Å |
| 528 | N | 93.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.011 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -75.2 | -29.5 | -179.8 | -71.1 | -56.2 | 0 | 0 | 0 | 113.1 | A487 W488 V524 L525 F530 K531 I532 | A487-N528 VanDerWaalsContact O-CB 3.27Å; A487-N528 WeakPolarHBondContact O-CB 3.41Å; W488-N528 WeakPolarHBondContact CA-ND2 3.46Å; V524-N528 VanDerWaalsContact CG1-ND2 3.29Å; V524-N528 WeakPolarHBondContact CG1-ND2 3.21Å; V524-N528 WeakPolarHBondContact O-CB 3.34Å; V524-N528 PolarHBondContact O-N 2.87Å; V524-N528 PolarHBondContact O-ND2 3.35Å; L525-N528 PolarHBondContact O-N 2.86Å; N528-F530 VanDerWaalsContact C-N 3.27Å; N528-F530 PolarHBondContact O-N 2.89Å; N528-K531 WeakPolarHBondContact O-CB 3.35Å; N528-K531 PolarHBondContact O-N 3.34Å; N528-I532 WeakPolarHBondContact O-CG1 3.01Å; N528-I532 PolarHBondContact O-N 3.08Å |
| 529 | A | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.6 | -36.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L504 I507 V508 L525 I532 Y533 F610 | L504-A529 HydrophobicContact CD1-CB 3.78Å; L504-A529 WeakPolarHBondContact CD1-O 3.48Å; I507-A529 HydrophobicContact CB-CB 4.48Å; I507-A529 HydrophobicContact CG2-CB 3.74Å; V508-A529 HydrophobicContact CG2-CB 4.24Å; L525-A529 WeakPolarHBondContact O-CB 3.41Å; L525-A529 PolarHBondContact O-N 2.83Å; A529-I532 PolarHBondContact O-N 2.99Å; A529-Y533 WeakPolarHBondContact O-CB 3.42Å; A529-Y533 PolarHBondContact O-N 2.87Å; A529-F610 HydrophobicContact CB-CE1 4.46Å; A529-F610 HydrophobicContact CB-CZ 3.73Å |
| 530 | F | 93.2 | Very high | 90.6 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.013 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.8 | -37.8 | 174.2 | -177.1 | -131.3 | 0 | 0 | 0 | 112.8 | I526 F527 N528 Y533 S534 I628 I631 L632 L744 L747 F748 | I526-F530 PolarHBondContact O-N 2.92Å; F527-F530 WeakPolarHBondContact O-CB 3.49Å; F527-F530 PolarHBondContact O-N 2.71Å; N528-F530 VanDerWaalsContact C-N 3.27Å; N528-F530 PolarHBondContact O-N 2.89Å; F530-Y533 AromaticContact CD2-CD1 3.97Å; F530-Y533 HydrophobicContact CD2-CD1 3.97Å; F530-Y533 HydrophobicContact CE2-CD1 4Å; F530-Y533 HydrophobicContact CE2-CE1 4.32Å; F530-Y533 PolarHBondContact O-N 3.31Å; F530-S534 PolarHBondContact O-N 3.23Å; F530-I628 HydrophobicContact CB-CD1 3.97Å; F530-I628 HydrophobicContact CB-CG1 4.25Å; F530-I628 HydrophobicContact CB-CG2 4.03Å; F530-I628 HydrophobicContact CD1-CD1 4.3Å; F530-I628 HydrophobicContact CD1-CG1 3.82Å; F530-I628 HydrophobicContact CD1-CG2 4.27Å; F530-I628 HydrophobicContact CD2-CG2 3.87Å; F530-I628 HydrophobicContact CE1-CG1 4.45Å; F530-I628 HydrophobicContact CE2-CG2 4.47Å; F530-I628 HydrophobicContact CG-CD1 4.35Å; F530-I628 HydrophobicContact CG-CG1 4.08Å; F530-I628 HydrophobicContact CG-CG2 3.79Å; F530-I631 HydrophobicContact CE1-CD1 4.34Å; F530-I631 HydrophobicContact CE2-CG2 4.38Å; F530-I631 HydrophobicContact CZ-CB 4.39Å; F530-I631 HydrophobicContact CZ-CG2 3.71Å; F530-L632 HydrophobicContact CD2-CD2 4.16Å; F530-L632 HydrophobicContact CE2-CD2 3.87Å; F530-L632 HydrophobicContact CE2-CG 4.34Å; F530-L744 HydrophobicContact CZ-CD2 4.25Å; F530-L747 HydrophobicContact CE1-CD2 3.69Å; F530-L747 HydrophobicContact CZ-CD2 4.19Å; F530-F748 HydrophobicContact CD1-CE1 4.13Å; F530-F748 AromaticContact CD1-CZ 3.49Å; F530-F748 HydrophobicContact CD1-CZ 3.49Å; F530-F748 VanDerWaalsContact CD1-CZ 3.49Å; F530-F748 HydrophobicContact CE1-CE1 4.28Å; F530-F748 HydrophobicContact CE1-CE2 4.34Å; F530-F748 AromaticContact CE1-CZ 3.51Å; F530-F748 HydrophobicContact CE1-CZ 3.51Å; F530-F748 HydrophobicContact CG-CZ 4.18Å; F530-F748 HydrophobicContact CZ-CZ 4.2Å |
| 531 | K | 92.8 | Very high | 91.1 | Very high | 26 Ų | 26 | 14.7 Ų | 14.7 | 11% | 0.113 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.5 | -49.5 | 171.6 | -68.4 | -174.6 | 178.7 | 176.8 | 0 | 111.9 | G491 E492 F527 N528 Y533 S534 V535 F748 | G491-K531 VanDerWaalsContact O-CD 3.29Å; G491-K531 WeakPolarHBondContact O-CD 3.48Å; E492-K531 IonicContact OE2-NZ 3.69Å; E492-K531 PolarHBondContact OE2-NZ 3.26Å; F527-K531 VanDerWaalsContact CE1-CE 3.42Å; F527-K531 PolarHBondContact O-N 2.79Å; N528-K531 WeakPolarHBondContact O-CB 3.35Å; N528-K531 PolarHBondContact O-N 3.34Å; K531-Y533 VanDerWaalsContact C-N 3.33Å; K531-Y533 PolarHBondContact O-N 2.77Å; K531-S534 VanDerWaalsContact O-CB 3.31Å; K531-S534 WeakPolarHBondContact O-CB 2.93Å; K531-S534 PolarHBondContact O-N 2.92Å; K531-S534 VanDerWaalsContact O-N 3.13Å; K531-V535 PolarHBondContact O-N 3Å; K531-F748 HydrophobicContact CD-CD1 4.44Å; K531-F748 HydrophobicContact CG-CD1 3.74Å; K531-F748 HydrophobicContact CG-CE1 3.63Å; K531-F748 HydrophobicContact CG-CG 4.26Å; K531-F748 HydrophobicContact CG-CZ 4.08Å |
| 532 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.7 | -40.5 | -179.2 | -65.2 | 164 | 0 | 0 | 0 | 110.8 | C490 A494 L497 P500 T503 L504 I507 N528 A529 S534 V535 V536 | C490-I532 HydrophobicContact CB-CD1 4.22Å; A494-I532 HydrophobicContact CB-CG1 4.04Å; L497-I532 HydrophobicContact CD1-CD1 4.26Å; L497-I532 HydrophobicContact CD1-CG1 4.04Å; L497-I532 HydrophobicContact CD1-CG2 4.23Å; P500-I532 HydrophobicContact CB-CG2 4.07Å; P500-I532 VanDerWaalsContact O-CG2 3.3Å; P500-I532 WeakPolarHBondContact O-CG2 2.95Å; T503-I532 HydrophobicContact CG2-CD1 4.08Å; L504-I532 HydrophobicContact CB-CG2 3.88Å; L504-I532 HydrophobicContact CD1-CB 4.48Å; I507-I532 HydrophobicContact CD1-CD1 3.36Å; N528-I532 WeakPolarHBondContact O-CG1 3.01Å; N528-I532 PolarHBondContact O-N 3.08Å; A529-I532 PolarHBondContact O-N 2.99Å; I532-S534 VanDerWaalsContact C-N 3.25Å; I532-S534 PolarHBondContact O-N 3.47Å; I532-V535 PolarHBondContact O-N 3.45Å; I532-V536 HydrophobicContact CG2-CG2 4.09Å; I532-V536 WeakPolarHBondContact O-CG2 3.16Å; I532-V536 PolarHBondContact O-N 3.44Å |
| 533 | Y | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -53.8 | -41.3 | 173.9 | 162.9 | -95.9 | 0 | 0 | 0 | 112.8 | A529 F530 K531 V535 V536 I537 L602 T603 L606 L632 L744 | A529-Y533 WeakPolarHBondContact O-CB 3.42Å; A529-Y533 PolarHBondContact O-N 2.87Å; F530-Y533 AromaticContact CD2-CD1 3.97Å; F530-Y533 HydrophobicContact CD2-CD1 3.97Å; F530-Y533 HydrophobicContact CE2-CD1 4Å; F530-Y533 HydrophobicContact CE2-CE1 4.32Å; F530-Y533 PolarHBondContact O-N 3.31Å; K531-Y533 VanDerWaalsContact C-N 3.33Å; K531-Y533 PolarHBondContact O-N 2.77Å; Y533-V535 VanDerWaalsContact C-N 3.29Å; Y533-V535 PolarHBondContact O-N 3.11Å; Y533-V536 PolarHBondContact O-N 2.92Å; Y533-I537 HydrophobicContact CD2-CG2 4.09Å; Y533-I537 HydrophobicContact CE1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CG2 4.35Å; Y533-I537 HydrophobicContact CE2-CG2 3.51Å; Y533-I537 WeakPolarHBondContact O-CG1 3.44Å; Y533-I537 PolarHBondContact O-N 2.94Å; Y533-L602 HydrophobicContact CD2-CD2 4.17Å; Y533-L602 HydrophobicContact CD2-CG 4.08Å; Y533-L602 HydrophobicContact CE2-CD2 4.14Å; Y533-L602 HydrophobicContact CE2-CG 3.97Å; Y533-T603 PolarHBondContact OH-OG1 3.25Å; Y533-L606 HydrophobicContact CD1-CD2 4.08Å; Y533-L606 HydrophobicContact CD2-CD2 3.8Å; Y533-L606 HydrophobicContact CG-CD2 3.51Å; Y533-L632 HydrophobicContact CD1-CD2 3.99Å; Y533-L632 HydrophobicContact CE1-CD2 3.55Å; Y533-L744 HydrophobicContact CE1-CD1 4.48Å |
| 534 | S | 92.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 177.1 | -162.4 | 0 | 0 | 0 | 0 | 112.7 | F530 K531 I532 I537 K538 N745 | F530-S534 PolarHBondContact O-N 3.23Å; K531-S534 VanDerWaalsContact O-CB 3.31Å; K531-S534 WeakPolarHBondContact O-CB 2.93Å; K531-S534 PolarHBondContact O-N 2.92Å; K531-S534 VanDerWaalsContact O-N 3.13Å; I532-S534 VanDerWaalsContact C-N 3.25Å; I532-S534 PolarHBondContact O-N 3.47Å; S534-I537 WeakPolarHBondContact O-CG1 3.27Å; S534-K538 WeakPolarHBondContact O-CB 3.33Å; S534-K538 PolarHBondContact O-N 3.45Å; S534-N745 WeakPolarHBondContact CB-OD1 3.22Å; S534-N745 PolarHBondContact O-OD1 3.05Å; S534-N745 PolarHBondContact OG-N 3.34Å; S534-N745 PolarHBondContact OG-OD1 3Å |
| 535 | V | 92 | Very high | 91.2 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.5 | -39.4 | 174.8 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | A494 K531 I532 Y533 K538 N539 | A494-V535 HydrophobicContact CB-CB 4.27Å; A494-V535 HydrophobicContact CB-CG2 3.65Å; K531-V535 PolarHBondContact O-N 3Å; I532-V535 PolarHBondContact O-N 3.45Å; Y533-V535 VanDerWaalsContact C-N 3.29Å; Y533-V535 PolarHBondContact O-N 3.11Å; V535-K538 WeakPolarHBondContact O-CB 3.43Å; V535-K538 PolarHBondContact O-N 3.32Å; V535-N539 WeakPolarHBondContact O-CB 3.2Å; V535-N539 PolarHBondContact O-N 3Å |
| 536 | V | 94.2 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.4 | -50.3 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | P500 E501 L504 I532 Y533 K538 N539 I540 L602 | P500-V536 HydrophobicContact CB-CG2 3.71Å; P500-V536 HydrophobicContact CG-CG2 4.08Å; E501-V536 HydrophobicContact CG-CB 4.45Å; E501-V536 HydrophobicContact CG-CG1 3.48Å; E501-V536 VanDerWaalsContact CG-CG1 3.48Å; E501-V536 HydrophobicContact CG-CG2 4.07Å; L504-V536 HydrophobicContact CD2-CG2 4.37Å; I532-V536 HydrophobicContact CG2-CG2 4.09Å; I532-V536 WeakPolarHBondContact O-CG2 3.16Å; I532-V536 PolarHBondContact O-N 3.44Å; Y533-V536 PolarHBondContact O-N 2.92Å; V536-K538 VanDerWaalsContact C-N 3.26Å; V536-K538 PolarHBondContact O-N 3.5Å; V536-N539 PolarHBondContact O-N 3.47Å; V536-I540 HydrophobicContact CG1-CD1 3.51Å; V536-I540 HydrophobicContact CG1-CG1 4.28Å; V536-I540 VanDerWaalsContact O-CG1 3.3Å; V536-I540 WeakPolarHBondContact O-CG1 3.37Å; V536-I540 PolarHBondContact O-N 3.13Å; V536-L602 HydrophobicContact CB-CD2 4.35Å; V536-L602 HydrophobicContact CG1-CD2 3.45Å; V536-L602 VanDerWaalsContact CG1-CD2 3.45Å |
| 537 | I | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63 | -34.3 | 179.5 | 61.9 | 177.7 | 0 | 0 | 0 | 112.3 | Y533 S534 T541 L599 L602 I741 L744 | Y533-I537 HydrophobicContact CD2-CG2 4.09Å; Y533-I537 HydrophobicContact CE1-CD1 4.02Å; Y533-I537 HydrophobicContact CE1-CG2 4.35Å; Y533-I537 HydrophobicContact CE2-CG2 3.51Å; Y533-I537 WeakPolarHBondContact O-CG1 3.44Å; Y533-I537 PolarHBondContact O-N 2.94Å; S534-I537 WeakPolarHBondContact O-CG1 3.27Å; I537-T541 VanDerWaalsContact O-CB 3.3Å; I537-T541 WeakPolarHBondContact O-CB 3.43Å; I537-T541 PolarHBondContact O-N 3.43Å; I537-T541 VanDerWaalsContact O-N 3.12Å; I537-T541 PolarHBondContact O-OG1 3.26Å; I537-L599 HydrophobicContact CB-CD2 3.78Å; I537-L599 HydrophobicContact CG2-CD2 3.81Å; I537-L602 HydrophobicContact CG2-CD2 3.89Å; I537-I741 HydrophobicContact CD1-CG1 4.13Å; I537-I741 HydrophobicContact CG1-CG1 4.29Å; I537-I741 HydrophobicContact CG1-CG2 4.45Å; I537-L744 HydrophobicContact CD1-CD1 3.45Å; I537-L744 VanDerWaalsContact CD1-CD1 3.45Å |
| 538 | K | 91.8 | Very high | 90.2 | Very high | 76 Ų | 76 | 31.3 Ų | 31.3 | 33% | 0.33 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 174.1 | 177.5 | -171 | 170.5 | -168.9 | 0 | 110.2 | D495 S534 V535 V536 T541 C542 I741 | D495-K538 IonicContact OD1-NZ 2.69Å; D495-K538 PolarHBondContact OD1-NZ 3.16Å; S534-K538 WeakPolarHBondContact O-CB 3.33Å; S534-K538 PolarHBondContact O-N 3.45Å; V535-K538 WeakPolarHBondContact O-CB 3.43Å; V535-K538 PolarHBondContact O-N 3.32Å; V536-K538 VanDerWaalsContact C-N 3.26Å; V536-K538 PolarHBondContact O-N 3.5Å; K538-T541 PolarHBondContact O-N 3.44Å; K538-C542 PolarHBondContact O-N 3.5Å; K538-C542 PolarHBondContact O-SG 3.46Å; K538-C542 VanDerWaalsContact O-SG 3.34Å; K538-I741 HydrophobicContact CB-CG2 3.9Å; K538-I741 HydrophobicContact CG-CG2 4.43Å |
| 539 | N | 91.7 | Very high | 89.2 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 27% | 0.273 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.2 | -45 | -178.4 | -72.1 | -3.1 | 0 | 0 | 0 | 112.8 | V535 V536 T541 C542 K543 | V535-N539 WeakPolarHBondContact O-CB 3.2Å; V535-N539 PolarHBondContact O-N 3Å; V536-N539 PolarHBondContact O-N 3.47Å; N539-T541 VanDerWaalsContact C-N 3.26Å; N539-T541 PolarHBondContact O-N 3.43Å; N539-C542 PolarHBondContact O-N 2.86Å; N539-K543 WeakPolarHBondContact O-CB 3.33Å; N539-K543 WeakPolarHBondContact O-CG 3.46Å; N539-K543 PolarHBondContact O-N 3.08Å |
| 540 | I | 91.2 | Very high | 87.6 | Confident | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.062 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.7 | -43.3 | 175 | -68.2 | 163.2 | 0 | 0 | 0 | 110.3 | E501 V536 T544 L595 H598 L602 | E501-I540 WeakPolarHBondContact OE1-CG1 3.31Å; V536-I540 HydrophobicContact CG1-CD1 3.51Å; V536-I540 HydrophobicContact CG1-CG1 4.28Å; V536-I540 VanDerWaalsContact O-CG1 3.3Å; V536-I540 WeakPolarHBondContact O-CG1 3.37Å; V536-I540 PolarHBondContact O-N 3.13Å; I540-T544 WeakPolarHBondContact O-CB 2.9Å; I540-T544 PolarHBondContact O-N 3.42Å; I540-T544 PolarHBondContact O-OG1 3.35Å; I540-L595 HydrophobicContact CG2-CD1 3.61Å; I540-H598 VanDerWaalsContact CD1-CE1 3.42Å; I540-H598 WeakPolarHBondContact CD1-CE1 3Å; I540-H598 WeakPolarHBondContact CG2-ND1 3.45Å; I540-L602 HydrophobicContact CD1-CD2 3.87Å |
| 541 | T | 90.3 | Very high | 85.6 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.3 | -44.9 | -179.1 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | I537 K538 N539 T544 I545 L595 I737 I741 | I537-T541 VanDerWaalsContact O-CB 3.3Å; I537-T541 WeakPolarHBondContact O-CB 3.43Å; I537-T541 PolarHBondContact O-N 3.43Å; I537-T541 VanDerWaalsContact O-N 3.12Å; I537-T541 PolarHBondContact O-OG1 3.26Å; K538-T541 PolarHBondContact O-N 3.44Å; N539-T541 VanDerWaalsContact C-N 3.26Å; N539-T541 PolarHBondContact O-N 3.43Å; T541-T544 PolarHBondContact O-N 3.23Å; T541-I545 HydrophobicContact CG2-CD1 3.8Å; T541-I545 HydrophobicContact CG2-CG1 4.47Å; T541-I545 WeakPolarHBondContact O-CD1 3.26Å; T541-I545 VanDerWaalsContact O-CG1 3.22Å; T541-I545 WeakPolarHBondContact O-CG1 3.35Å; T541-I545 PolarHBondContact O-N 3.37Å; T541-L595 HydrophobicContact CG2-CD2 4.22Å; T541-I737 HydrophobicContact CG2-CG2 3.96Å; T541-I741 HydrophobicContact CG2-CD1 3.79Å; T541-I741 WeakPolarHBondContact OG1-CD1 2.91Å |
| 542 | C | 88.7 | Confident | 83.7 | Confident | 55 Ų | 55 | 43 Ų | 43 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.4 | -49.2 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | K538 N539 T544 I545 E546 | K538-C542 PolarHBondContact O-N 3.5Å; K538-C542 PolarHBondContact O-SG 3.46Å; K538-C542 VanDerWaalsContact O-SG 3.34Å; N539-C542 PolarHBondContact O-N 2.86Å; C542-T544 PolarHBondContact O-N 3.43Å; C542-I545 WeakPolarHBondContact O-CB 3.4Å; C542-I545 PolarHBondContact O-N 3Å; C542-E546 PolarHBondContact O-N 2.88Å |
| 543 | K | 87.8 | Confident | 81.5 | Confident | 142 Ų | 142 | 45.7 Ų | 45.7 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -57 | -38.8 | 175.8 | -71.6 | 176 | -179.4 | -179.4 | 0 | 112.2 | N539 S547 | N539-K543 WeakPolarHBondContact O-CB 3.33Å; N539-K543 WeakPolarHBondContact O-CG 3.46Å; N539-K543 PolarHBondContact O-N 3.08Å; K543-S547 PolarHBondContact O-N 3.24Å |
| 544 | T | 87.6 | Confident | 78.8 | Confident | 25 Ų | 25 | 51.6 Ų | 51.6 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 176.8 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | I540 T541 C542 E546 S547 L548 I591 L595 | I540-T544 WeakPolarHBondContact O-CB 2.9Å; I540-T544 PolarHBondContact O-N 3.42Å; I540-T544 PolarHBondContact O-OG1 3.35Å; T541-T544 PolarHBondContact O-N 3.23Å; C542-T544 PolarHBondContact O-N 3.43Å; T544-E546 VanDerWaalsContact C-N 3.28Å; T544-E546 PolarHBondContact O-N 3.19Å; T544-S547 WeakPolarHBondContact O-CB 3.26Å; T544-S547 PolarHBondContact O-N 3.47Å; T544-S547 VanDerWaalsContact O-N 3.07Å; T544-S547 PolarHBondContact O-OG 2.99Å; T544-L548 HydrophobicContact CG2-CD1 4.25Å; T544-L548 WeakPolarHBondContact O-CD1 3.42Å; T544-L548 PolarHBondContact O-N 3.1Å; T544-I591 HydrophobicContact CG2-CG2 3.3Å; T544-L595 HydrophobicContact CG2-CB 4.09Å; T544-L595 HydrophobicContact CG2-CD2 4Å; T544-L595 HydrophobicContact CG2-CG 4.44Å |
| 545 | I | 85.3 | Confident | 76.2 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 9% | 0.087 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.6 | -41.1 | 177.1 | -70.4 | 155.3 | 0 | 0 | 0 | 111.6 | T541 C542 S547 L548 T553 L734 | T541-I545 HydrophobicContact CG2-CD1 3.8Å; T541-I545 HydrophobicContact CG2-CG1 4.47Å; T541-I545 WeakPolarHBondContact O-CD1 3.26Å; T541-I545 VanDerWaalsContact O-CG1 3.22Å; T541-I545 WeakPolarHBondContact O-CG1 3.35Å; T541-I545 PolarHBondContact O-N 3.37Å; C542-I545 WeakPolarHBondContact O-CB 3.4Å; C542-I545 PolarHBondContact O-N 3Å; I545-S547 PolarHBondContact O-N 2.86Å; I545-L548 WeakPolarHBondContact O-CB 3.42Å; I545-L548 PolarHBondContact O-N 3.23Å; I545-L548 VanDerWaalsContact O-N 3.09Å; I545-T553 HydrophobicContact CG2-CG2 4.16Å; I545-L734 HydrophobicContact CD1-CD1 3.91Å; I545-L734 HydrophobicContact CG1-CD1 3.47Å; I545-L734 VanDerWaalsContact CG1-CD1 3.47Å; I545-L734 HydrophobicContact CG1-CD2 4.07Å; I545-L734 HydrophobicContact CG1-CG 4.31Å |
| 546 | E | 84.1 | Confident | 73.5 | Confident | 155 Ų | 155 | 70.1 Ų | 70.1 | 72% | 0.724 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.7 | -26.7 | 177.9 | -70.9 | 166.3 | -165.9 | 0 | 0 | 112.7 | C542 T544 L548 | C542-E546 PolarHBondContact O-N 2.88Å; T544-E546 VanDerWaalsContact C-N 3.28Å; T544-E546 PolarHBondContact O-N 3.19Å; E546-L548 VanDerWaalsContact C-N 3.33Å |
| 547 | S | 81 | Confident | 70.6 | Confident | 70 Ų | 70 | 79.3 Ų | 79.3 | 49% | 0.49 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.6 | 175.5 | 75.2 | 0 | 0 | 0 | 0 | 114.3 | K543 T544 I545 | K543-S547 PolarHBondContact O-N 3.24Å; T544-S547 WeakPolarHBondContact O-CB 3.26Å; T544-S547 PolarHBondContact O-N 3.47Å; T544-S547 VanDerWaalsContact O-N 3.07Å; T544-S547 PolarHBondContact O-OG 2.99Å; I545-S547 PolarHBondContact O-N 2.86Å |
| 548 | L | 81.8 | Confident | 67.3 | Low | 9 Ų | 9 | 88.2 Ų | 88.2 | 5% | 0.047 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -77.5 | 143.5 | 176.6 | -90.4 | 70 | 0 | 0 | 0 | 110.8 | T544 I545 E546 L550 F552 I591 L592 | T544-L548 HydrophobicContact CG2-CD1 4.25Å; T544-L548 WeakPolarHBondContact O-CD1 3.42Å; T544-L548 PolarHBondContact O-N 3.1Å; I545-L548 WeakPolarHBondContact O-CB 3.42Å; I545-L548 PolarHBondContact O-N 3.23Å; I545-L548 VanDerWaalsContact O-N 3.09Å; E546-L548 VanDerWaalsContact C-N 3.33Å; L548-L550 PolarHBondContact O-N 2.8Å; L548-F552 HydrophobicContact CD2-CB 4.26Å; L548-F552 HydrophobicContact CD2-CD2 4.47Å; L548-F552 HydrophobicContact CD2-CG 4.47Å; L548-I591 HydrophobicContact CD1-CB 4.29Å; L548-I591 HydrophobicContact CD1-CG2 3.63Å; L548-L592 HydrophobicContact CD2-CD2 4.48Å; L548-L592 HydrophobicContact CD2-CG 4.47Å |
| 549 | P | 73.8 | Confident | 64.4 | Low | 34 Ų | 34 | 93.1 Ų | 93.1 | 22% | 0.221 | 45% | 0.452 | C | S | . | . | trans | -50.4 | 138.6 | 173.3 | -26.6 | 34 | 0 | 0 | 0 | 113.2 | M551 F552 D584 S588 | P549-M551 PolarHBondContact O-N 3.42Å; P549-F552 PolarHBondContact O-N 3.12Å; P549-D584 HydrophobicContact CB-CB 4.48Å; P549-D584 HydrophobicContact CG-CB 4.35Å; P549-S588 WeakPolarHBondContact CD-OG 3.38Å | ||
| 550 | L | 57.5 | Low | 61.3 | Low | 130 Ų | 130 | 99 Ų | 99 | 68% | 0.681 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -19.7 | -172.2 | -92.9 | 155.8 | 0 | 0 | 0 | 116.2 | L548 F552 T553 N554 | L548-L550 PolarHBondContact O-N 2.8Å; L550-F552 VanDerWaalsContact C-N 3.29Å; L550-F552 PolarHBondContact O-N 3.32Å; L550-T553 PolarHBondContact O-N 2.98Å; L550-T553 PolarHBondContact O-OG1 3.35Å; L550-N554 PolarHBondContact O-N 2.68Å |
| 551 | M | 51.4 | Low | 58.1 | Low | 86 Ų | 86 | 101.1 Ų | 101.1 | 42% | 0.424 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -29.2 | 176.5 | -71.9 | -83.9 | 159.4 | 0 | 0 | 112.7 | P549 N578 | P549-M551 PolarHBondContact O-N 3.42Å; M551-N578 HydrophobicContact CE-CB 4.19Å |
| 552 | F | 53 | Low | 55 | Low | 28 Ų | 28 | 110 Ų | 110 | 12% | 0.123 | 55% | 0.55 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -14.3 | 179.3 | -62.4 | -69.2 | 0 | 0 | 0 | 114 | L548 P549 L550 E580 Q585 S588 P730 | L548-F552 HydrophobicContact CD2-CB 4.26Å; L548-F552 HydrophobicContact CD2-CD2 4.47Å; L548-F552 HydrophobicContact CD2-CG 4.47Å; P549-F552 PolarHBondContact O-N 3.12Å; L550-F552 VanDerWaalsContact C-N 3.29Å; L550-F552 PolarHBondContact O-N 3.32Å; F552-E580 WeakPolarHBondContact CE1-OE1 3.37Å; F552-E580 WeakPolarHBondContact CZ-OE1 3.44Å; F552-Q585 HydrophobicContact CZ-CG 4.22Å; F552-S588 WeakPolarHBondContact CD2-OG 2.91Å; F552-S588 WeakPolarHBondContact CE2-OG 3.45Å; F552-P730 HydrophobicContact CD1-CB 4.06Å; F552-P730 HydrophobicContact CD1-CG 4.49Å; F552-P730 HydrophobicContact CE1-CB 3.76Å; F552-P730 HydrophobicContact CE1-CG 3.71Å; F552-P730 HydrophobicContact CE2-CG 4.35Å; F552-P730 HydrophobicContact CZ-CB 4.04Å; F552-P730 HydrophobicContact CZ-CG 3.63Å |
| 553 | T | 48.6 | Very low | 51.9 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 34% | 0.344 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | -14 | -177.3 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | I545 L550 K555 | I545-T553 HydrophobicContact CG2-CG2 4.16Å; L550-T553 PolarHBondContact O-N 2.98Å; L550-T553 PolarHBondContact O-OG1 3.35Å; T553-K555 PolarHBondContact O-N 2.78Å; T553-K555 VanDerWaalsContact O-N 3.15Å |
| 554 | N | 36.6 | Very low | 48.8 | Very low | 124 Ų | 124 | 115.3 Ų | 115.3 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | trans | -85 | 87.1 | -176 | -111.3 | -27.7 | 0 | 0 | 0 | 113.8 | L550 | L550-N554 PolarHBondContact O-N 2.68Š| ||
| 555 | K | 38.5 | Very low | 45.8 | Very low | 195 Ų | 195 | 120.4 Ų | 120.4 | 85% | 0.848 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 176.9 | 110.2 | 143.5 | -98.2 | 162.6 | -174.8 | 176.6 | 0 | 108.7 | T553 | T553-K555 PolarHBondContact O-N 2.78Å; T553-K555 VanDerWaalsContact O-N 3.15Å |
| 556 | K | 35.9 | Very low | 42.7 | Very low | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 81 | 33.3 | 163.9 | -53.5 | -176.1 | 171.9 | -176.2 | 0 | 119.9 | ||
| 557 | Y | 31.9 | Very low | 39.9 | Very low | 194 Ų | 194 | 126.9 Ų | 126.9 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | trans | -110.6 | 73.9 | 155.3 | -93.9 | -98.2 | 0 | 0 | 0 | 108.9 | ||||
| 558 | Q | 25.4 | Very low | 37.1 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 64% | 0.641 | S | S | * | * | trans | -101 | 118.9 | 148.5 | -91.7 | 175.7 | -27.5 | 0 | 0 | 104.8 | N560 | Q558-N560 PolarHBondContact O-N 3Š| ||
| 559 | E | 30.3 | Very low | 34.4 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 68% | 0.677 | S | S | * | * | trans | -58.7 | 128.2 | -178.3 | -71 | 170.5 | 138.4 | 0 | 0 | 110.4 | G561 | E559-G561 VanDerWaalsContact C-N 3.3Å; E559-G561 PolarHBondContact O-N 3.44Å | ||
| 560 | N | 25.6 | Very low | 32 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 94% | 0.936 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -71 | 92.1 | 160.4 | -68.2 | -22.9 | 0 | 0 | 0 | 107 | Q558 | Q558-N560 PolarHBondContact O-N 3Š|
| 561 | G | 25.4 | Very low | 30.5 | Very low | 57 Ų | 57 | 141.6 Ų | 141.6 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | trans | 178.9 | 81.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E559 | E559-G561 VanDerWaalsContact C-N 3.3Å; E559-G561 PolarHBondContact O-N 3.44Å | ||
| 562 | E | 25.2 | Very low | 29.2 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 73.4 | 113.5 | 155.5 | -55.4 | -173.1 | 166.9 | 0 | 0 | 118.6 | ||
| 563 | H | 23.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 63% | 0.634 | 77% | 0.765 | S | S | * | * | trans | 51.3 | 91.1 | 152.9 | -97.2 | -61.1 | 0 | 0 | 0 | 117.6 | D1123 | H563-D1123 IonicContact NE2-OD1 3.79Š| ||
| 564 | L | 22.5 | Very low | 26.8 | Very low | 173 Ų | 173 | 158 Ų | 158 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -129.3 | 116.7 | 147.2 | -100.1 | 159.1 | 0 | 0 | 0 | 110.2 | ||||
| 565 | I | 23.5 | Very low | 26.4 | Very low | 132 Ų | 132 | 162 Ų | 162 | 68% | 0.677 | 80% | 0.797 | S | S | * | * | trans | -49.3 | 135.4 | 175.2 | -68 | 156.4 | 0 | 0 | 0 | 109.8 | M567 | I565-M567 PolarHBondContact O-N 3.26Š| ||
| 566 | D | 21.7 | Very low | 26 | Very low | 134 Ų | 134 | 158.5 Ų | 158.5 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -46.3 | 95 | 162.8 | -174.2 | 5.2 | 0 | 0 | 0 | 110.3 | S568 | D566-S568 PolarHBondContact OD1-N 2.99Å; D566-S568 PolarHBondContact OD1-OG 3Å | ||
| 567 | M | 23.8 | Very low | 26.1 | Very low | 174 Ų | 174 | 155.1 Ų | 155.1 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | -107.4 | 79.5 | 160.2 | -67.4 | -74 | -98.9 | 0 | 0 | 105.5 | I565 | I565-M567 PolarHBondContact O-N 3.26Š| ||
| 568 | S | 23.4 | Very low | 26.5 | Very low | 81 Ų | 81 | 152.6 Ų | 152.6 | 57% | 0.566 | 78% | 0.779 | S | S | * | * | trans | -57.3 | 151.5 | 153.9 | 35.8 | 0 | 0 | 0 | 0 | 110.1 | D566 | D566-S568 PolarHBondContact OD1-N 2.99Å; D566-S568 PolarHBondContact OD1-OG 3Å | ||
| 569 | E | 25.1 | Very low | 27.3 | Very low | 172 Ų | 172 | 148.8 Ų | 148.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 98.8 | 112.6 | 164.5 | -56.9 | -171.5 | 159.7 | 0 | 0 | 118.5 | ||||
| 570 | N | 23.3 | Very low | 28.2 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 75.5 | 89.9 | 145.6 | -63.3 | -23.9 | 0 | 0 | 0 | 118.3 | ||||
| 571 | D | 25 | Very low | 29.6 | Very low | 166 Ų | 166 | 138.8 Ų | 138.8 | 89% | 0.888 | 72% | 0.721 | S | S | * | * | -151.6 | 81.2 | 121.4 | -91.3 | -31.6 | 0 | 0 | 0 | 110.3 | H573 | D571-H573 PolarHBondContact O-N 3.4Å; D571-H573 VanDerWaalsContact O-N 3.13Å | |||
| 572 | H | 24.5 | Very low | 31.3 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 82% | 0.819 | 72% | 0.72 | S | S | * | * | trans | -63 | 99.6 | 149 | -88.3 | -26.4 | 0 | 0 | 0 | 107.4 | ||||
| 573 | H | 25.4 | Very low | 33.2 | Very low | 190 Ų | 190 | 137.3 Ų | 137.3 | 88% | 0.88 | 71% | 0.709 | S | S | * | * | trans | 167.7 | 74.7 | 146.5 | -86.7 | -58 | 0 | 0 | 0 | 111.2 | D571 | D571-H573 PolarHBondContact O-N 3.4Å; D571-H573 VanDerWaalsContact O-N 3.13Å | ||
| 574 | N | 26.5 | Very low | 35.4 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | trans | -151.8 | 67.6 | 146.4 | -154.5 | 6.4 | 0 | 0 | 0 | 111.7 | ||||
| 575 | K | 28.4 | Very low | 37.8 | Very low | 208 Ų | 208 | 126.3 Ų | 126.3 | 90% | 0.904 | 66% | 0.655 | S | S | * | * | trans | -95.1 | 82.8 | 155.8 | -83.9 | -178.7 | 176.4 | 174.8 | 0 | 106.4 | ||||
| 576 | N | 30.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 65% | 0.652 | 64% | 0.638 | S | S | * | * | trans | -150.4 | 118.6 | 163.6 | -96.7 | -16.6 | 0 | 0 | 0 | 109.9 | ||||
| 577 | N | 36.8 | Very low | 43.2 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | trans | 71.8 | 73.5 | 156.8 | -52.4 | -11.7 | 0 | 0 | 0 | 118 | T579 | N577-T579 VanDerWaalsContact C-N 3.27Å; N577-T579 PolarHBondContact O-N 3.27Å | ||
| 578 | N | 40.4 | Very low | 46 | Very low | 140 Ų | 140 | 111.3 Ų | 111.3 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | trans | -86.2 | 32.5 | 167.4 | -70.3 | -13.3 | 0 | 0 | 0 | 113.7 | M551 E580 | M551-N578 HydrophobicContact CE-CB 4.19Å; N578-E580 PolarHBondContact O-N 3.15Å | ||
| 579 | T | 43 | Very low | 48.8 | Very low | 107 Ų | 107 | 108.8 Ų | 108.8 | 66% | 0.656 | 56% | 0.564 | S | S | * | * | trans | -79.5 | 110.6 | 171.6 | 49.1 | 0 | 0 | 0 | 0 | 108.1 | N577 T581 | N577-T579 VanDerWaalsContact C-N 3.27Å; N577-T579 PolarHBondContact O-N 3.27Å; T579-T581 PolarHBondContact O-N 3.49Å | ||
| 580 | E | 49.5 | Very low | 51.7 | Low | 84 Ų | 84 | 107 Ų | 107 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | trans | -46.1 | 111.8 | 159 | -84.9 | 179.1 | 135.6 | 0 | 0 | 106.7 | F552 N578 V582 Q585 | F552-E580 WeakPolarHBondContact CE1-OE1 3.37Å; F552-E580 WeakPolarHBondContact CZ-OE1 3.44Å; N578-E580 PolarHBondContact O-N 3.15Å; E580-V582 PolarHBondContact O-N 3.38Å; E580-Q585 HydrophobicContact CB-CG 4.3Å; E580-Q585 HydrophobicContact CG-CG 4.46Å; E580-Q585 PolarHBondContact OE2-NE2 2.96Å | ||
| 581 | T | 55 | Low | 54.8 | Low | 59 Ų | 59 | 102.6 Ų | 102.6 | 36% | 0.362 | 53% | 0.529 | S | S | . | . | trans | -67.5 | 138.5 | 169.8 | 68.5 | 0 | 0 | 0 | 0 | 106.4 | T579 D583 D584 Q585 | T579-T581 PolarHBondContact O-N 3.49Å; T581-D583 PolarHBondContact O-N 3.21Å; T581-D583 VanDerWaalsContact O-N 3.09Å; T581-D584 PolarHBondContact O-N 3.04Å; T581-D584 WeakPolarHBondContact OG1-CB 3.47Å; T581-D584 PolarHBondContact OG1-N 2.87Å; T581-D584 VanDerWaalsContact OG1-N 3.11Å; T581-D584 PolarHBondContact OG1-OD2 3.16Å; T581-Q585 PolarHBondContact O-N 3.29Å | ||
| 582 | V | 61.3 | Low | 57.8 | Low | 94 Ų | 94 | 94.7 Ų | 94.7 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -53.3 | -32 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 110 | E580 Q585 V586 | E580-V582 PolarHBondContact O-N 3.38Å; V582-Q585 PolarHBondContact O-N 3.29Å; V582-V586 HydrophobicContact CG1-CG2 4.46Å; V582-V586 VanDerWaalsContact O-CG2 3.27Å; V582-V586 WeakPolarHBondContact O-CG2 3.22Å; V582-V586 PolarHBondContact O-N 3.43Å; V582-V586 VanDerWaalsContact O-N 3.09Å |
| 583 | D | 64.8 | Low | 60.9 | Low | 121 Ų | 121 | 89.4 Ų | 89.4 | 65% | 0.647 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.2 | -39.2 | 174.8 | -68.3 | -25.1 | 0 | 0 | 0 | 113.7 | T581 V586 T587 | T581-D583 PolarHBondContact O-N 3.21Å; T581-D583 VanDerWaalsContact O-N 3.09Å; D583-V586 PolarHBondContact O-N 3.04Å; D583-T587 WeakPolarHBondContact O-CB 3.49Å; D583-T587 PolarHBondContact O-N 3.25Å; D583-T587 PolarHBondContact O-OG1 3.24Å |
| 584 | D | 69.9 | Low | 63.9 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 29% | 0.289 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.4 | -70.4 | -40.2 | 0 | 0 | 0 | 112 | P549 T581 S588 | P549-D584 HydrophobicContact CB-CB 4.48Å; P549-D584 HydrophobicContact CG-CB 4.35Å; T581-D584 PolarHBondContact O-N 3.04Å; T581-D584 WeakPolarHBondContact OG1-CB 3.47Å; T581-D584 PolarHBondContact OG1-N 2.87Å; T581-D584 VanDerWaalsContact OG1-N 3.11Å; T581-D584 PolarHBondContact OG1-OD2 3.16Å; D584-S588 WeakPolarHBondContact O-CB 3.45Å; D584-S588 PolarHBondContact O-N 3Å; D584-S588 PolarHBondContact O-OG 2.56Å |
| 585 | Q | 71.6 | Confident | 67.1 | Low | 25 Ų | 25 | 78.5 Ų | 78.5 | 12% | 0.117 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 176.4 | -71.2 | -174.4 | -6.2 | 0 | 0 | 111.3 | F552 E580 T581 V582 T587 S588 L589 | F552-Q585 HydrophobicContact CZ-CG 4.22Å; E580-Q585 HydrophobicContact CB-CG 4.3Å; E580-Q585 HydrophobicContact CG-CG 4.46Å; E580-Q585 PolarHBondContact OE2-NE2 2.96Å; T581-Q585 PolarHBondContact O-N 3.29Å; V582-Q585 PolarHBondContact O-N 3.29Å; Q585-T587 VanDerWaalsContact C-N 3.34Å; Q585-T587 PolarHBondContact O-N 3.4Å; Q585-S588 PolarHBondContact O-N 3.14Å; Q585-L589 WeakPolarHBondContact O-CG 3.41Å; Q585-L589 PolarHBondContact O-N 2.91Å |
| 586 | V | 77.2 | Confident | 70.1 | Confident | 53 Ų | 53 | 68.6 Ų | 68.6 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 178.5 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | V582 D583 L589 K590 | V582-V586 HydrophobicContact CG1-CG2 4.46Å; V582-V586 VanDerWaalsContact O-CG2 3.27Å; V582-V586 WeakPolarHBondContact O-CG2 3.22Å; V582-V586 PolarHBondContact O-N 3.43Å; V582-V586 VanDerWaalsContact O-N 3.09Å; D583-V586 PolarHBondContact O-N 3.04Å; V586-L589 PolarHBondContact O-N 3.17Å; V586-K590 PolarHBondContact O-N 2.97Å; V586-K590 VanDerWaalsContact O-N 3.09Å |
| 587 | T | 81.4 | Confident | 73.1 | Confident | 73 Ų | 73 | 64.9 Ų | 64.9 | 45% | 0.448 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 176.9 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | D583 Q585 L589 K590 I591 | D583-T587 WeakPolarHBondContact O-CB 3.49Å; D583-T587 PolarHBondContact O-N 3.25Å; D583-T587 PolarHBondContact O-OG1 3.24Å; Q585-T587 VanDerWaalsContact C-N 3.34Å; Q585-T587 PolarHBondContact O-N 3.4Å; T587-L589 PolarHBondContact O-N 3.17Å; T587-K590 PolarHBondContact O-N 3.48Å; T587-I591 HydrophobicContact CG2-CD1 4.1Å; T587-I591 WeakPolarHBondContact O-CG1 3.31Å; T587-I591 PolarHBondContact O-N 3.32Å |
| 588 | S | 82.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 178.5 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | P549 F552 D584 Q585 K590 I591 L592 | P549-S588 WeakPolarHBondContact CD-OG 3.38Å; F552-S588 WeakPolarHBondContact CD2-OG 2.91Å; F552-S588 WeakPolarHBondContact CE2-OG 3.45Å; D584-S588 WeakPolarHBondContact O-CB 3.45Å; D584-S588 PolarHBondContact O-N 3Å; D584-S588 PolarHBondContact O-OG 2.56Å; Q585-S588 PolarHBondContact O-N 3.14Å; S588-K590 VanDerWaalsContact C-N 3.33Å; S588-K590 PolarHBondContact O-N 3.27Å; S588-I591 PolarHBondContact O-N 3.14Å; S588-L592 VanDerWaalsContact O-CG 3.32Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.48Å |
| 589 | L | 84 | Confident | 78.3 | Confident | 27 Ų | 27 | 55.3 Ų | 55.3 | 14% | 0.141 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.3 | -74.2 | 173.7 | 0 | 0 | 0 | 111.9 | Q585 V586 T587 L592 Q593 L646 P730 | Q585-L589 WeakPolarHBondContact O-CG 3.41Å; Q585-L589 PolarHBondContact O-N 2.91Å; V586-L589 PolarHBondContact O-N 3.17Å; T587-L589 PolarHBondContact O-N 3.17Å; L589-L592 PolarHBondContact O-N 3.07Å; L589-Q593 WeakPolarHBondContact O-CB 3.37Å; L589-Q593 PolarHBondContact O-N 2.87Å; L589-L646 HydrophobicContact CD2-CD2 3.69Å; L589-P730 HydrophobicContact CD2-CB 4.49Å; L589-P730 HydrophobicContact CD2-CG 4.02Å; L589-P730 HydrophobicContact CG-CG 4.02Å |
| 590 | K | 85.3 | Confident | 80.7 | Confident | 136 Ų | 136 | 51.1 Ų | 51.1 | 59% | 0.591 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 177.3 | -169.2 | 173.3 | -176.2 | 177.9 | 0 | 112 | V586 T587 S588 Q593 N594 | V586-K590 PolarHBondContact O-N 2.97Å; V586-K590 VanDerWaalsContact O-N 3.09Å; T587-K590 PolarHBondContact O-N 3.48Å; S588-K590 VanDerWaalsContact C-N 3.33Å; S588-K590 PolarHBondContact O-N 3.27Å; K590-Q593 PolarHBondContact O-N 3.04Å; K590-N594 PolarHBondContact O-N 3.33Å |
| 591 | I | 87.5 | Confident | 82.8 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.195 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -46.1 | 174.7 | -66.9 | 165.9 | 0 | 0 | 0 | 110.5 | T544 L548 T587 S588 Q593 N594 L595 | T544-I591 HydrophobicContact CG2-CG2 3.3Å; L548-I591 HydrophobicContact CD1-CB 4.29Å; L548-I591 HydrophobicContact CD1-CG2 3.63Å; T587-I591 HydrophobicContact CG2-CD1 4.1Å; T587-I591 WeakPolarHBondContact O-CG1 3.31Å; T587-I591 PolarHBondContact O-N 3.32Å; S588-I591 PolarHBondContact O-N 3.14Å; I591-Q593 PolarHBondContact O-N 3.09Å; I591-N594 PolarHBondContact O-N 3.44Å; I591-L595 PolarHBondContact O-N 3.34Å |
| 592 | L | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -35.7 | 177.8 | -70.1 | 173.1 | 0 | 0 | 0 | 113 | L548 S588 L589 L595 I596 P730 V733 L734 I737 | L548-L592 HydrophobicContact CD2-CD2 4.48Å; L548-L592 HydrophobicContact CD2-CG 4.47Å; S588-L592 VanDerWaalsContact O-CG 3.32Å; S588-L592 WeakPolarHBondContact O-CG 3.44Å; S588-L592 PolarHBondContact O-N 3.48Å; L589-L592 PolarHBondContact O-N 3.07Å; L592-L595 HydrophobicContact CD2-CD2 4.31Å; L592-L595 WeakPolarHBondContact O-CB 3.47Å; L592-L595 PolarHBondContact O-N 3.2Å; L592-I596 WeakPolarHBondContact O-CG1 3.45Å; L592-I596 PolarHBondContact O-N 2.88Å; L592-P730 HydrophobicContact CD1-CB 3.77Å; L592-P730 WeakPolarHBondContact CD1-O 3.39Å; L592-V733 HydrophobicContact CB-CG1 4.22Å; L592-V733 HydrophobicContact CD1-CB 4.14Å; L592-V733 HydrophobicContact CD1-CG1 4.06Å; L592-L734 HydrophobicContact CD2-CB 4.44Å; L592-L734 HydrophobicContact CD2-CD1 3.84Å; L592-I737 HydrophobicContact CD2-CD1 4.36Å |
| 593 | Q | 89.6 | Confident | 86.1 | Confident | 67 Ų | 67 | 46.7 Ų | 46.7 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 174.3 | -174.3 | 176.6 | 26.4 | 0 | 0 | 110.8 | L589 K590 I591 L595 I596 V597 | L589-Q593 WeakPolarHBondContact O-CB 3.37Å; L589-Q593 PolarHBondContact O-N 2.87Å; K590-Q593 PolarHBondContact O-N 3.04Å; I591-Q593 PolarHBondContact O-N 3.09Å; Q593-L595 VanDerWaalsContact C-N 3.34Å; Q593-L595 PolarHBondContact O-N 3.31Å; Q593-I596 PolarHBondContact O-N 3.4Å; Q593-V597 WeakPolarHBondContact O-CG2 3.34Å; Q593-V597 PolarHBondContact O-N 2.92Å; Q593-V597 VanDerWaalsContact O-N 3.11Å |
| 594 | N | 89.2 | Confident | 87.4 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 55% | 0.545 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62 | -41.6 | 176.2 | -70.3 | -14.5 | 0 | 0 | 0 | 111.8 | K590 I591 V597 H598 | K590-N594 PolarHBondContact O-N 3.33Å; I591-N594 PolarHBondContact O-N 3.44Å; N594-V597 PolarHBondContact O-N 2.79Å; N594-H598 PolarHBondContact O-N 3.07Å |
| 595 | L | 91.9 | Very high | 88.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 175.2 | 173.2 | 61.1 | 0 | 0 | 0 | 112.1 | I540 T541 T544 I591 L592 Q593 V597 H598 L599 I737 | I540-L595 HydrophobicContact CG2-CD1 3.61Å; T541-L595 HydrophobicContact CG2-CD2 4.22Å; T544-L595 HydrophobicContact CG2-CB 4.09Å; T544-L595 HydrophobicContact CG2-CD2 4Å; T544-L595 HydrophobicContact CG2-CG 4.44Å; I591-L595 PolarHBondContact O-N 3.34Å; L592-L595 HydrophobicContact CD2-CD2 4.31Å; L592-L595 WeakPolarHBondContact O-CB 3.47Å; L592-L595 PolarHBondContact O-N 3.2Å; Q593-L595 VanDerWaalsContact C-N 3.34Å; Q593-L595 PolarHBondContact O-N 3.31Å; L595-V597 VanDerWaalsContact C-N 3.33Å; L595-V597 PolarHBondContact O-N 2.81Å; L595-H598 PolarHBondContact O-N 3.26Å; L595-L599 HydrophobicContact CD1-CD1 4.06Å; L595-L599 HydrophobicContact CD1-CD2 4.44Å; L595-L599 HydrophobicContact CD1-CG 4.02Å; L595-L599 HydrophobicContact CG-CD1 4.05Å; L595-L599 HydrophobicContact CG-CG 4.4Å; L595-L599 VanDerWaalsContact O-CG 3.32Å; L595-L599 WeakPolarHBondContact O-CG 3.37Å; L595-L599 PolarHBondContact O-N 3.08Å; L595-I737 HydrophobicContact CD2-CD1 4.09Å |
| 596 | I | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | -178.8 | -71.8 | 159.4 | 0 | 0 | 0 | 111.3 | L592 Q593 H598 L599 I600 I642 Q643 L646 V733 I737 | L592-I596 WeakPolarHBondContact O-CG1 3.45Å; L592-I596 PolarHBondContact O-N 2.88Å; Q593-I596 PolarHBondContact O-N 3.4Å; I596-H598 VanDerWaalsContact C-N 3.32Å; I596-H598 PolarHBondContact O-N 2.97Å; I596-L599 PolarHBondContact O-N 3.1Å; I596-I600 HydrophobicContact CG2-CD1 3.72Å; I596-I600 HydrophobicContact CG2-CG1 4.33Å; I596-I600 VanDerWaalsContact O-CG1 3.28Å; I596-I600 WeakPolarHBondContact O-CG1 3.42Å; I596-I600 PolarHBondContact O-N 3.31Å; I596-I642 HydrophobicContact CD1-CB 4.32Å; I596-I642 HydrophobicContact CD1-CG2 3.52Å; I596-I642 HydrophobicContact CG1-CG2 4.48Å; I596-Q643 HydrophobicContact CG2-CB 3.82Å; I596-Q643 HydrophobicContact CG2-CG 4.34Å; I596-L646 HydrophobicContact CD1-CD1 3.18Å; I596-V733 HydrophobicContact CD1-CG1 3.97Å; I596-I737 HydrophobicContact CD1-CD1 3.87Å; I596-I737 HydrophobicContact CD1-CG1 4.41Å; I596-I737 HydrophobicContact CG1-CD1 3.61Å; I596-I737 HydrophobicContact CG1-CG1 4.14Å |
| 597 | V | 92.8 | Very high | 90.1 | Very high | 45 Ų | 45 | 41 Ų | 41 | 27% | 0.273 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.8 | -48.7 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110 | Q593 N594 L595 L599 I600 E601 | Q593-V597 WeakPolarHBondContact O-CG2 3.34Å; Q593-V597 PolarHBondContact O-N 2.92Å; Q593-V597 VanDerWaalsContact O-N 3.11Å; N594-V597 PolarHBondContact O-N 2.79Å; L595-V597 VanDerWaalsContact C-N 3.33Å; L595-V597 PolarHBondContact O-N 2.81Å; V597-L599 PolarHBondContact O-N 3.47Å; V597-I600 PolarHBondContact O-N 3.03Å; V597-E601 HydrophobicContact CG1-CG 4.46Å; V597-E601 WeakPolarHBondContact O-CG 3.13Å; V597-E601 PolarHBondContact O-N 3.32Å |
| 598 | H | 92.5 | Very high | 90.4 | Very high | 72 Ų | 72 | 42.5 Ų | 42.5 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.2 | -174.6 | -139.7 | 0 | 0 | 0 | 112.8 | I540 N594 L595 I596 I600 E601 L602 | I540-H598 VanDerWaalsContact CD1-CE1 3.42Å; I540-H598 WeakPolarHBondContact CD1-CE1 3Å; I540-H598 WeakPolarHBondContact CG2-ND1 3.45Å; N594-H598 PolarHBondContact O-N 3.07Å; L595-H598 PolarHBondContact O-N 3.26Å; I596-H598 VanDerWaalsContact C-N 3.32Å; I596-H598 PolarHBondContact O-N 2.97Å; H598-I600 PolarHBondContact O-N 3.3Å; H598-E601 PolarHBondContact O-N 2.82Å; H598-L602 WeakPolarHBondContact O-CB 3.35Å; H598-L602 PolarHBondContact O-N 3.09Å |
| 599 | L | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -41.2 | 176.5 | -68.4 | 176 | 0 | 0 | 0 | 112.2 | I537 L595 I596 V597 T603 F639 I737 | I537-L599 HydrophobicContact CB-CD2 3.78Å; I537-L599 HydrophobicContact CG2-CD2 3.81Å; L595-L599 HydrophobicContact CD1-CD1 4.06Å; L595-L599 HydrophobicContact CD1-CD2 4.44Å; L595-L599 HydrophobicContact CD1-CG 4.02Å; L595-L599 HydrophobicContact CG-CD1 4.05Å; L595-L599 HydrophobicContact CG-CG 4.4Å; L595-L599 VanDerWaalsContact O-CG 3.32Å; L595-L599 WeakPolarHBondContact O-CG 3.37Å; L595-L599 PolarHBondContact O-N 3.08Å; I596-L599 PolarHBondContact O-N 3.1Å; V597-L599 PolarHBondContact O-N 3.47Å; L599-T603 WeakPolarHBondContact O-CB 3.45Å; L599-T603 PolarHBondContact O-N 2.97Å; L599-T603 PolarHBondContact O-OG1 3.47Å; L599-F639 HydrophobicContact CB-CD2 4.16Å; L599-F639 HydrophobicContact CB-CE2 3.98Å; L599-F639 HydrophobicContact CB-CZ 4.2Å; L599-F639 HydrophobicContact CD1-CD1 4.43Å; L599-F639 HydrophobicContact CD1-CE1 3.85Å; L599-F639 HydrophobicContact CD1-CZ 3.9Å; L599-I737 HydrophobicContact CD1-CG2 3.92Å |
| 600 | I | 93.5 | Very high | 90.8 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 175.9 | -69.7 | 168.2 | 0 | 0 | 0 | 110.4 | I596 V597 H598 L602 T603 N604 F639 Q643 | I596-I600 HydrophobicContact CG2-CD1 3.72Å; I596-I600 HydrophobicContact CG2-CG1 4.33Å; I596-I600 VanDerWaalsContact O-CG1 3.28Å; I596-I600 WeakPolarHBondContact O-CG1 3.42Å; I596-I600 PolarHBondContact O-N 3.31Å; V597-I600 PolarHBondContact O-N 3.03Å; H598-I600 PolarHBondContact O-N 3.3Å; I600-L602 PolarHBondContact O-N 2.86Å; I600-T603 PolarHBondContact O-N 3.15Å; I600-N604 VanDerWaalsContact CG2-ND2 3.33Å; I600-N604 WeakPolarHBondContact CG2-ND2 3.16Å; I600-N604 VanDerWaalsContact O-CB 3.3Å; I600-N604 WeakPolarHBondContact O-CB 3.48Å; I600-N604 PolarHBondContact O-N 3.33Å; I600-N604 PolarHBondContact O-ND2 2.84Å; I600-F639 HydrophobicContact CD1-CB 4.01Å; I600-F639 HydrophobicContact CG1-CB 3.48Å; I600-F639 VanDerWaalsContact CG1-CB 3.48Å; I600-F639 HydrophobicContact CG1-CG 4.42Å; I600-Q643 HydrophobicContact CD1-CB 4.33Å; I600-Q643 VanDerWaalsContact CD1-OE1 3.3Å |
| 601 | E | 93.5 | Very high | 90.8 | Very high | 119 Ų | 119 | 40.2 Ų | 40.2 | 56% | 0.556 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -59.4 | -46.5 | 178.2 | -74.9 | 176.2 | 177.8 | 0 | 0 | 111.6 | V597 H598 N604 F605 | V597-E601 HydrophobicContact CG1-CG 4.46Å; V597-E601 WeakPolarHBondContact O-CG 3.13Å; V597-E601 PolarHBondContact O-N 3.32Å; H598-E601 PolarHBondContact O-N 2.82Å; E601-N604 PolarHBondContact O-N 3.45Å; E601-F605 VanDerWaalsContact O-CB 3.29Å; E601-F605 WeakPolarHBondContact O-CB 3.34Å; E601-F605 PolarHBondContact O-N 2.91Å |
| 602 | L | 92 | Very high | 90.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 13% | 0.131 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.5 | -43.1 | 177 | -174.9 | 63.7 | 0 | 0 | 0 | 112.6 | L504 Y533 V536 I537 I540 H598 I600 N604 F605 L606 | L504-L602 HydrophobicContact CD2-CD1 4.46Å; Y533-L602 HydrophobicContact CD2-CD2 4.17Å; Y533-L602 HydrophobicContact CD2-CG 4.08Å; Y533-L602 HydrophobicContact CE2-CD2 4.14Å; Y533-L602 HydrophobicContact CE2-CG 3.97Å; V536-L602 HydrophobicContact CB-CD2 4.35Å; V536-L602 HydrophobicContact CG1-CD2 3.45Å; V536-L602 VanDerWaalsContact CG1-CD2 3.45Å; I537-L602 HydrophobicContact CG2-CD2 3.89Å; I540-L602 HydrophobicContact CD1-CD2 3.87Å; H598-L602 WeakPolarHBondContact O-CB 3.35Å; H598-L602 PolarHBondContact O-N 3.09Å; I600-L602 PolarHBondContact O-N 2.86Å; L602-N604 VanDerWaalsContact C-N 3.35Å; L602-N604 PolarHBondContact O-N 2.72Å; L602-F605 WeakPolarHBondContact O-CB 3.28Å; L602-F605 PolarHBondContact O-N 3.12Å; L602-L606 PolarHBondContact O-N 2.7Å; L602-L606 VanDerWaalsContact O-N 3.07Å |
| 603 | T | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | 176.9 | -51.4 | 0 | 0 | 0 | 0 | 110.7 | Y533 L599 I600 L606 M607 L632 V635 | Y533-T603 PolarHBondContact OH-OG1 3.25Å; L599-T603 WeakPolarHBondContact O-CB 3.45Å; L599-T603 PolarHBondContact O-N 2.97Å; L599-T603 PolarHBondContact O-OG1 3.47Å; I600-T603 PolarHBondContact O-N 3.15Å; T603-L606 PolarHBondContact O-N 3.1Å; T603-M607 HydrophobicContact CG2-CE 4.25Å; T603-M607 VanDerWaalsContact O-CB 3.32Å; T603-M607 WeakPolarHBondContact O-CB 3.48Å; T603-M607 PolarHBondContact O-N 2.77Å; T603-L632 HydrophobicContact CG2-CB 4.14Å; T603-L632 HydrophobicContact CG2-CD2 4.05Å; T603-L632 WeakPolarHBondContact CG2-O 3.49Å; T603-V635 HydrophobicContact CG2-CB 4.27Å; T603-V635 HydrophobicContact CG2-CG1 4.1Å |
| 604 | N | 93.7 | Very high | 89.7 | Confident | 51 Ų | 51 | 41.8 Ų | 41.8 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70 | -36 | -179.4 | -70.9 | -21.1 | 0 | 0 | 0 | 111.5 | I600 E601 L602 M607 N608 S636 | I600-N604 VanDerWaalsContact CG2-ND2 3.33Å; I600-N604 WeakPolarHBondContact CG2-ND2 3.16Å; I600-N604 VanDerWaalsContact O-CB 3.3Å; I600-N604 WeakPolarHBondContact O-CB 3.48Å; I600-N604 PolarHBondContact O-N 3.33Å; I600-N604 PolarHBondContact O-ND2 2.84Å; E601-N604 PolarHBondContact O-N 3.45Å; L602-N604 VanDerWaalsContact C-N 3.35Å; L602-N604 PolarHBondContact O-N 2.72Å; N604-M607 PolarHBondContact O-N 2.91Å; N604-N608 VanDerWaalsContact O-CB 3.24Å; N604-N608 WeakPolarHBondContact O-CB 3.22Å; N604-N608 PolarHBondContact O-N 3.18Å; N604-N608 PolarHBondContact O-ND2 3.28Å; N604-N608 VanDerWaalsContact O-ND2 3.15Å; N604-S636 PolarHBondContact OD1-OG 2.99Å |
| 605 | F | 91.8 | Very high | 89.1 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 29% | 0.289 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56 | -53.1 | 172 | 170.2 | -97.2 | 0 | 0 | 0 | 110.7 | N505 E601 L602 M607 N608 R609 | N505-F605 WeakPolarHBondContact OD1-CE1 3.39Å; N505-F605 WeakPolarHBondContact OD1-CZ 3.45Å; E601-F605 VanDerWaalsContact O-CB 3.29Å; E601-F605 WeakPolarHBondContact O-CB 3.34Å; E601-F605 PolarHBondContact O-N 2.91Å; L602-F605 WeakPolarHBondContact O-CB 3.28Å; L602-F605 PolarHBondContact O-N 3.12Å; F605-M607 PolarHBondContact O-N 3.48Å; F605-N608 PolarHBondContact O-N 3.25Å; F605-R609 HydrophobicContact CE1-CG 4.44Å; F605-R609 HydrophobicContact CE2-CG 4.38Å; F605-R609 HydrophobicContact CZ-CG 4.28Å; F605-R609 WeakPolarHBondContact O-CG 3.29Å; F605-R609 PolarHBondContact O-N 2.96Å; F605-R609 VanDerWaalsContact O-N 3.13Å |
| 606 | L | 91.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.4 | -42.1 | -179.5 | -170.8 | 64.1 | 0 | 0 | 0 | 112.1 | L504 V508 Y533 L602 T603 N608 R609 F610 L632 | L504-L606 HydrophobicContact CD1-CD1 4.23Å; V508-L606 HydrophobicContact CG2-CD1 3.89Å; Y533-L606 HydrophobicContact CD1-CD2 4.08Å; Y533-L606 HydrophobicContact CD2-CD2 3.8Å; Y533-L606 HydrophobicContact CG-CD2 3.51Å; L602-L606 PolarHBondContact O-N 2.7Å; L602-L606 VanDerWaalsContact O-N 3.07Å; T603-L606 PolarHBondContact O-N 3.1Å; L606-N608 PolarHBondContact O-N 2.98Å; L606-R609 PolarHBondContact O-N 3.45Å; L606-F610 HydrophobicContact CD1-CD2 4.13Å; L606-F610 HydrophobicContact CD1-CE1 4.31Å; L606-F610 HydrophobicContact CD1-CE2 3.47Å; L606-F610 VanDerWaalsContact CD1-CE2 3.47Å; L606-F610 HydrophobicContact CD1-CZ 3.57Å; L606-F610 HydrophobicContact CD2-CE2 3.97Å; L606-F610 HydrophobicContact CG-CD2 3.93Å; L606-F610 HydrophobicContact CG-CE2 3.55Å; L606-F610 HydrophobicContact CG-CZ 4.19Å; L606-F610 PolarHBondContact O-N 3.37Å; L606-L632 HydrophobicContact CB-CD1 4.11Å; L606-L632 HydrophobicContact CD2-CD1 3.83Å; L606-L632 HydrophobicContact CD2-CD2 4.14Å; L606-L632 HydrophobicContact CG-CD1 3.83Å |
| 607 | M | 90.7 | Very high | 87.8 | Confident | 17 Ų | 17 | 46.1 Ų | 46.1 | 8% | 0.084 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 177 | -168.5 | -174.3 | -36.2 | 0 | 0 | 111.9 | T603 N604 F605 R609 F610 I611 H629 L632 | T603-M607 HydrophobicContact CG2-CE 4.25Å; T603-M607 VanDerWaalsContact O-CB 3.32Å; T603-M607 WeakPolarHBondContact O-CB 3.48Å; T603-M607 PolarHBondContact O-N 2.77Å; N604-M607 PolarHBondContact O-N 2.91Å; F605-M607 PolarHBondContact O-N 3.48Å; M607-R609 PolarHBondContact O-N 2.88Å; M607-F610 PolarHBondContact O-N 3.44Å; M607-I611 PolarHBondContact O-N 2.83Å; M607-H629 WeakPolarHBondContact CG-NE2 3.36Å; M607-L632 HydrophobicContact CB-CB 4.26Å; M607-L632 HydrophobicContact CB-CD1 4.27Å; M607-L632 VanDerWaalsContact CE-C 3.45Å; M607-L632 HydrophobicContact CE-CB 3.99Å; M607-L632 WeakPolarHBondContact CE-O 3.48Å; M607-L632 HydrophobicContact CG-CB 4.37Å |
| 608 | N | 89 | Confident | 87.2 | Confident | 104 Ų | 104 | 46.3 Ų | 46.3 | 56% | 0.556 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -66.2 | -22.8 | 178.3 | -72.8 | -24.7 | 0 | 0 | 0 | 113.2 | N604 F605 L606 I611 | N604-N608 VanDerWaalsContact O-CB 3.24Å; N604-N608 WeakPolarHBondContact O-CB 3.22Å; N604-N608 PolarHBondContact O-N 3.18Å; N604-N608 PolarHBondContact O-ND2 3.28Å; N604-N608 VanDerWaalsContact O-ND2 3.15Å; F605-N608 PolarHBondContact O-N 3.25Å; L606-N608 PolarHBondContact O-N 2.98Å; N608-I611 WeakPolarHBondContact O-CG2 3.49Å |
| 609 | R | 87.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 47.5 Ų | 47.5 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -80.1 | -43.7 | 174.7 | -66.3 | -77.3 | 178.9 | 179.7 | 5.3 | 110.7 | V508 L512 F605 L606 M607 I611 | V508-R609 HydrophobicContact CG1-CB 3.73Å; V508-R609 HydrophobicContact CG1-CG 3.69Å; L512-R609 HydrophobicContact CD1-CB 4.18Å; L512-R609 HydrophobicContact CD1-CG 4.35Å; F605-R609 HydrophobicContact CE1-CG 4.44Å; F605-R609 HydrophobicContact CE2-CG 4.38Å; F605-R609 HydrophobicContact CZ-CG 4.28Å; F605-R609 WeakPolarHBondContact O-CG 3.29Å; F605-R609 PolarHBondContact O-N 2.96Å; F605-R609 VanDerWaalsContact O-N 3.13Å; L606-R609 PolarHBondContact O-N 3.45Å; M607-R609 PolarHBondContact O-N 2.88Å; R609-I611 VanDerWaalsContact C-N 3.35Å; R609-I611 PolarHBondContact O-N 3.38Å |
| 610 | F | 86.2 | Confident | 86 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77 | -17.5 | -179.8 | -66.4 | -30 | 0 | 0 | 0 | 115.4 | I526 A529 L606 M607 Q612 Y613 I628 L632 | I526-F610 HydrophobicContact CB-CE1 4.09Å; I526-F610 HydrophobicContact CB-CZ 4.41Å; I526-F610 HydrophobicContact CG1-CD1 4.14Å; I526-F610 HydrophobicContact CG1-CE1 3.94Å; I526-F610 HydrophobicContact CG2-CD1 4.01Å; I526-F610 HydrophobicContact CG2-CD2 4.42Å; I526-F610 HydrophobicContact CG2-CE1 3.86Å; I526-F610 HydrophobicContact CG2-CE2 4.26Å; I526-F610 HydrophobicContact CG2-CG 4.3Å; I526-F610 HydrophobicContact CG2-CZ 3.98Å; I526-F610 WeakPolarHBondContact O-CZ 3.15Å; A529-F610 HydrophobicContact CB-CE1 4.46Å; A529-F610 HydrophobicContact CB-CZ 3.73Å; L606-F610 HydrophobicContact CD1-CD2 4.13Å; L606-F610 HydrophobicContact CD1-CE1 4.31Å; L606-F610 HydrophobicContact CD1-CE2 3.47Å; L606-F610 VanDerWaalsContact CD1-CE2 3.47Å; L606-F610 HydrophobicContact CD1-CZ 3.57Å; L606-F610 HydrophobicContact CD2-CE2 3.97Å; L606-F610 HydrophobicContact CG-CD2 3.93Å; L606-F610 HydrophobicContact CG-CE2 3.55Å; L606-F610 HydrophobicContact CG-CZ 4.19Å; L606-F610 PolarHBondContact O-N 3.37Å; M607-F610 PolarHBondContact O-N 3.44Å; F610-Q612 PolarHBondContact O-N 3.3Å; F610-Q612 VanDerWaalsContact O-N 3.08Å; F610-Y613 HydrophobicContact CD1-CD2 4.25Å; F610-Y613 HydrophobicContact CD1-CE2 4.46Å; F610-Y613 PolarHBondContact O-N 3.43Å; F610-I628 HydrophobicContact CD2-CG2 3.7Å; F610-I628 HydrophobicContact CE2-CG2 3.84Å; F610-L632 HydrophobicContact CD2-CD1 4.25Å |
| 611 | I | 85.3 | Confident | 85.5 | Confident | 22 Ų | 22 | 51.1 Ų | 51.1 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.3 | 175.8 | -156.4 | 167.3 | 0 | 0 | 0 | 112.9 | M607 N608 R609 Y613 V614 M918 F922 | M607-I611 PolarHBondContact O-N 2.83Å; N608-I611 WeakPolarHBondContact O-CG2 3.49Å; R609-I611 VanDerWaalsContact C-N 3.35Å; R609-I611 PolarHBondContact O-N 3.38Å; I611-Y613 VanDerWaalsContact C-N 3.27Å; I611-Y613 PolarHBondContact O-N 3.17Å; I611-V614 WeakPolarHBondContact O-CB 3.43Å; I611-V614 PolarHBondContact O-N 2.94Å; I611-M918 HydrophobicContact CD1-CE 3.25Å; I611-M918 HydrophobicContact CG1-CE 3.8Å; I611-F922 HydrophobicContact CB-CZ 4.33Å; I611-F922 HydrophobicContact CD1-CE2 3.62Å; I611-F922 HydrophobicContact CD1-CZ 3.48Å; I611-F922 VanDerWaalsContact CD1-CZ 3.48Å; I611-F922 HydrophobicContact CG1-CE2 3.57Å; I611-F922 HydrophobicContact CG1-CZ 3.57Å; I611-F922 HydrophobicContact CG2-CZ 3.84Å |
| 612 | Q | 80.4 | Confident | 85.1 | Confident | 119 Ų | 119 | 46.5 Ų | 46.5 | 56% | 0.556 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -68.1 | -26.9 | 178 | -57.1 | -170.7 | 19.9 | 0 | 0 | 112.4 | L512 F610 | L512-Q612 HydrophobicContact CD2-CB 4.35Å; L512-Q612 HydrophobicContact CD2-CG 4.49Å; F610-Q612 PolarHBondContact O-N 3.3Å; F610-Q612 VanDerWaalsContact O-N 3.08Å |
| 613 | Y | 83.4 | Confident | 84.8 | Confident | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -88.6 | -10.6 | 178.2 | -62.8 | -75.3 | 0 | 0 | 0 | 113.8 | A511 L512 I526 F610 I611 H615 S616 V621 A625 | A511-Y613 HydrophobicContact CB-CE2 4.48Å; A511-Y613 VanDerWaalsContact CB-OH 3.31Å; A511-Y613 WeakPolarHBondContact CB-OH 3.5Å; A511-Y613 PolarHBondContact O-OH 3.35Å; L512-Y613 WeakPolarHBondContact CA-OH 3.2Å; L512-Y613 HydrophobicContact CD2-CE2 3.7Å; L512-Y613 HydrophobicContact CG-CE2 4.42Å; L512-Y613 PolarHBondContact N-OH 2.85Å; I526-Y613 HydrophobicContact CD1-CD1 3.84Å; I526-Y613 HydrophobicContact CD1-CD2 3.66Å; I526-Y613 HydrophobicContact CD1-CE1 4.23Å; I526-Y613 HydrophobicContact CD1-CE2 4.07Å; I526-Y613 HydrophobicContact CD1-CG 3.54Å; I526-Y613 HydrophobicContact CG1-CD2 4.17Å; I526-Y613 HydrophobicContact CG1-CE2 4.26Å; F610-Y613 HydrophobicContact CD1-CD2 4.25Å; F610-Y613 HydrophobicContact CD1-CE2 4.46Å; F610-Y613 PolarHBondContact O-N 3.43Å; I611-Y613 VanDerWaalsContact C-N 3.27Å; I611-Y613 PolarHBondContact O-N 3.17Å; Y613-H615 PolarHBondContact O-N 3.42Å; Y613-H615 VanDerWaalsContact O-N 3.12Å; Y613-S616 VanDerWaalsContact O-CB 3.26Å; Y613-S616 WeakPolarHBondContact O-CB 3.43Å; Y613-S616 PolarHBondContact O-N 3.3Å; Y613-V621 HydrophobicContact CD1-CG1 3.63Å; Y613-V621 HydrophobicContact CG-CG1 4.11Å; Y613-A625 VanDerWaalsContact CB-CB 3.48Å |
| 614 | V | 79.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -61.2 | -20.4 | 174.2 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | I611 Q622 V626 H629 A915 M918 | I611-V614 WeakPolarHBondContact O-CB 3.43Å; I611-V614 PolarHBondContact O-N 2.94Å; V614-Q622 WeakPolarHBondContact O-CG 3.36Å; V614-V626 HydrophobicContact CB-CG2 4.35Å; V614-V626 HydrophobicContact CG1-CG2 3.87Å; V614-V626 HydrophobicContact CG2-CG2 4.24Å; V614-H629 HydrophobicContact CG2-CB 4.48Å; V614-A915 HydrophobicContact CG1-CB 4.25Å; V614-M918 HydrophobicContact CG1-CB 4.27Å; V614-M918 HydrophobicContact CG1-CG 4.47Å |
| 615 | H | 77.6 | Confident | 84 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -110.2 | 16.7 | 175.7 | -52.1 | 116.7 | 0 | 0 | 0 | 113.5 | Y613 S617 A915 R919 F922 | Y613-H615 PolarHBondContact O-N 3.42Å; Y613-H615 VanDerWaalsContact O-N 3.12Å; H615-S617 PolarHBondContact O-N 3.41Å; H615-A915 PolarHBondContact NE2-O 3.05Å; H615-R919 WeakPolarHBondContact CD2-CG 3.19Å; H615-R919 VanDerWaalsContact NE2-CG 3.3Å; H615-R919 WeakPolarHBondContact NE2-CG 3.01Å; H615-R919 PolarHBondContact NE2-N 3.38Å; H615-F922 AromaticContact CE1-CD2 3.52Å; H615-F922 AromaticContact CE1-CE2 3.81Å |
| 616 | S | 79.6 | Confident | 83.8 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 13% | 0.126 | 23% | 0.233 | C | C | . | . | trans | -54.9 | 140.3 | 176.5 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | Y613 D618 | Y613-S616 VanDerWaalsContact O-CB 3.26Å; Y613-S616 WeakPolarHBondContact O-CB 3.43Å; Y613-S616 PolarHBondContact O-N 3.3Å; S616-D618 PolarHBondContact O-N 3.09Å; S616-D618 PolarHBondContact OG-N 2.97Å | ||
| 617 | S | 76.5 | Confident | 83.5 | Confident | 130 Ų | 130 | 49 Ų | 49 | 91% | 0.909 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -68.6 | -20.3 | 171 | 50.7 | 0 | 0 | 0 | 0 | 112.2 | H615 | H615-S617 PolarHBondContact O-N 3.41Š|
| 618 | D | 80.6 | Confident | 83.5 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -89.3 | 125.4 | 177.1 | -172 | -84.9 | 0 | 0 | 0 | 111.3 | S519 S616 E620 V621 Q622 | S519-D618 VanDerWaalsContact CB-CB 3.46Å; S519-D618 WeakPolarHBondContact CB-OD2 3.49Å; S519-D618 WeakPolarHBondContact OG-CB 3.29Å; S519-D618 PolarHBondContact OG-OD2 3.34Å; S616-D618 PolarHBondContact O-N 3.09Å; S616-D618 PolarHBondContact OG-N 2.97Å; D618-E620 PolarHBondContact O-N 3.43Å; D618-E620 WeakPolarHBondContact OD1-CB 3.38Å; D618-E620 PolarHBondContact OD1-N 3.47Å; D618-V621 HydrophobicContact CB-CB 4.18Å; D618-V621 HydrophobicContact CB-CG2 4.07Å; D618-V621 PolarHBondContact O-N 2.94Å; D618-V621 PolarHBondContact OD1-N 3.11Å; D618-V621 VanDerWaalsContact OD1-N 3.14Å; D618-Q622 VanDerWaalsContact O-CB 3.27Å; D618-Q622 WeakPolarHBondContact O-CB 3.23Å; D618-Q622 PolarHBondContact O-N 2.98Å |
| 619 | L | 80.8 | Confident | 83.5 | Confident | 98 Ų | 98 | 44 Ų | 44 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.1 | -38.8 | -175.1 | -176.2 | 65.9 | 0 | 0 | 0 | 112.4 | Q622 E623 | L619-Q622 PolarHBondContact O-N 3.1Å; L619-E623 HydrophobicContact CD1-CG 4.03Å; L619-E623 HydrophobicContact CG-CG 4.27Å; L619-E623 WeakPolarHBondContact O-CB 3.46Å; L619-E623 VanDerWaalsContact O-CG 3.29Å; L619-E623 WeakPolarHBondContact O-CG 3.32Å; L619-E623 PolarHBondContact O-N 3.32Å |
| 620 | E | 79.4 | Confident | 83.6 | Confident | 93 Ų | 93 | 43 Ų | 43 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.1 | -44.6 | -177.8 | -176.1 | 177.9 | 177.8 | 0 | 0 | 110.7 | A523 D618 Q622 R624 | A523-E620 HydrophobicContact CB-CG 4.04Å; D618-E620 PolarHBondContact O-N 3.43Å; D618-E620 WeakPolarHBondContact OD1-CB 3.38Å; D618-E620 PolarHBondContact OD1-N 3.47Å; E620-Q622 VanDerWaalsContact C-N 3.35Å; E620-R624 WeakPolarHBondContact O-CB 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.47Å; E620-R624 PolarHBondContact O-N 2.7Å; E620-R624 VanDerWaalsContact O-N 3.09Å; E620-R624 IonicContact OE1-CZ 2.85Å; E620-R624 VanDerWaalsContact OE1-CZ 3.29Å; E620-R624 IonicContact OE1-NE 3.64Å; E620-R624 PolarHBondContact OE1-NE 3.13Å; E620-R624 IonicContact OE1-NH2 2.64Å; E620-R624 PolarHBondContact OE1-NH2 3.49Å |
| 621 | V | 83.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -46.8 | 174.8 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | S519 Q522 A523 I526 Y613 D618 A625 | S519-V621 WeakPolarHBondContact O-CG2 3.35Å; Q522-V621 HydrophobicContact CB-CG1 4.45Å; Q522-V621 HydrophobicContact CB-CG2 3.93Å; A523-V621 HydrophobicContact CB-CG2 4.06Å; I526-V621 HydrophobicContact CD1-CG1 3.82Å; Y613-V621 HydrophobicContact CD1-CG1 3.63Å; Y613-V621 HydrophobicContact CG-CG1 4.11Å; D618-V621 HydrophobicContact CB-CB 4.18Å; D618-V621 HydrophobicContact CB-CG2 4.07Å; D618-V621 PolarHBondContact O-N 2.94Å; D618-V621 PolarHBondContact OD1-N 3.11Å; D618-V621 VanDerWaalsContact OD1-N 3.14Å; V621-A625 VanDerWaalsContact O-CB 3.24Å; V621-A625 WeakPolarHBondContact O-CB 3.39Å; V621-A625 PolarHBondContact O-N 2.9Å |
| 622 | Q | 85.3 | Confident | 84.2 | Confident | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -51.4 | 179.4 | -171.9 | -164.7 | -45.8 | 0 | 0 | 111.3 | V614 D618 L619 E620 R624 A625 V626 | V614-Q622 WeakPolarHBondContact O-CG 3.36Å; D618-Q622 VanDerWaalsContact O-CB 3.27Å; D618-Q622 WeakPolarHBondContact O-CB 3.23Å; D618-Q622 PolarHBondContact O-N 2.98Å; L619-Q622 PolarHBondContact O-N 3.1Å; E620-Q622 VanDerWaalsContact C-N 3.35Å; Q622-R624 PolarHBondContact O-N 3.32Å; Q622-A625 PolarHBondContact O-N 3.49Å; Q622-V626 HydrophobicContact CG-CG2 4.37Å; Q622-V626 WeakPolarHBondContact O-CB 3.14Å; Q622-V626 VanDerWaalsContact O-CG2 3.28Å; Q622-V626 WeakPolarHBondContact O-CG2 3.3Å; Q622-V626 PolarHBondContact O-N 3.44Å |
| 623 | E | 84.2 | Confident | 84.7 | Confident | 64 Ų | 64 | 40.2 Ų | 40.2 | 30% | 0.299 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -40.7 | -176.3 | -72.2 | -60.8 | 159.9 | 0 | 0 | 112.3 | L619 S627 S911 | L619-E623 HydrophobicContact CD1-CG 4.03Å; L619-E623 HydrophobicContact CG-CG 4.27Å; L619-E623 WeakPolarHBondContact O-CB 3.46Å; L619-E623 VanDerWaalsContact O-CG 3.29Å; L619-E623 WeakPolarHBondContact O-CG 3.32Å; L619-E623 PolarHBondContact O-N 3.32Å; E623-S627 VanDerWaalsContact O-CB 3.27Å; E623-S627 WeakPolarHBondContact O-CB 3.19Å; E623-S627 PolarHBondContact O-N 3.11Å; E623-S627 PolarHBondContact O-OG 3.45Å; E623-S911 PolarHBondContact OE1-OG 3.07Å; E623-S911 VanDerWaalsContact OE2-CB 3.31Å; E623-S911 WeakPolarHBondContact OE2-CB 3.44Å; E623-S911 PolarHBondContact OE2-OG 3.43Å |
| 624 | R | 83.9 | Confident | 85.1 | Confident | 74 Ų | 74 | 44.5 Ų | 44.5 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.2 | -70.9 | -174.9 | -171.4 | -153.1 | 0.9 | 111.1 | A523 E620 Q622 S627 I628 | A523-R624 VanDerWaalsContact C-NH1 3.34Å; A523-R624 WeakPolarHBondContact O-CD 3.35Å; A523-R624 PolarHBondContact O-NH1 2.85Å; E620-R624 WeakPolarHBondContact O-CB 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.47Å; E620-R624 PolarHBondContact O-N 2.7Å; E620-R624 VanDerWaalsContact O-N 3.09Å; E620-R624 IonicContact OE1-CZ 2.85Å; E620-R624 VanDerWaalsContact OE1-CZ 3.29Å; E620-R624 IonicContact OE1-NE 3.64Å; E620-R624 PolarHBondContact OE1-NE 3.13Å; E620-R624 IonicContact OE1-NH2 2.64Å; E620-R624 PolarHBondContact OE1-NH2 3.49Å; Q622-R624 PolarHBondContact O-N 3.32Å; R624-S627 PolarHBondContact O-N 3.49Å; R624-I628 WeakPolarHBondContact O-CB 3.36Å; R624-I628 WeakPolarHBondContact O-CD1 3.4Å; R624-I628 VanDerWaalsContact O-CG1 3.26Å; R624-I628 WeakPolarHBondContact O-CG1 3.13Å; R624-I628 PolarHBondContact O-N 3.44Å |
| 625 | A | 86.5 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y613 V621 Q622 H629 | Y613-A625 VanDerWaalsContact CB-CB 3.48Å; V621-A625 VanDerWaalsContact O-CB 3.24Å; V621-A625 WeakPolarHBondContact O-CB 3.39Å; V621-A625 PolarHBondContact O-N 2.9Å; Q622-A625 PolarHBondContact O-N 3.49Å; A625-H629 WeakPolarHBondContact O-CB 3.43Å; A625-H629 PolarHBondContact O-N 3.14Å |
| 626 | V | 87.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 176.8 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | V614 Q622 I628 H629 Q630 S911 F914 | V614-V626 HydrophobicContact CB-CG2 4.35Å; V614-V626 HydrophobicContact CG1-CG2 3.87Å; V614-V626 HydrophobicContact CG2-CG2 4.24Å; Q622-V626 HydrophobicContact CG-CG2 4.37Å; Q622-V626 WeakPolarHBondContact O-CB 3.14Å; Q622-V626 VanDerWaalsContact O-CG2 3.28Å; Q622-V626 WeakPolarHBondContact O-CG2 3.3Å; Q622-V626 PolarHBondContact O-N 3.44Å; V626-I628 PolarHBondContact O-N 2.8Å; V626-H629 PolarHBondContact O-N 3.34Å; V626-Q630 HydrophobicContact CG1-CG 4.38Å; V626-Q630 WeakPolarHBondContact O-CB 3.46Å; V626-Q630 VanDerWaalsContact O-CG 3.31Å; V626-Q630 WeakPolarHBondContact O-CG 3.47Å; V626-Q630 PolarHBondContact O-N 3.15Å; V626-S911 WeakPolarHBondContact CG1-OG 3.18Å; V626-F914 HydrophobicContact CG1-CD1 3.86Å |
| 627 | S | 86.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.7 | -47.9 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | E623 R624 Q630 I631 | E623-S627 VanDerWaalsContact O-CB 3.27Å; E623-S627 WeakPolarHBondContact O-CB 3.19Å; E623-S627 PolarHBondContact O-N 3.11Å; E623-S627 PolarHBondContact O-OG 3.45Å; R624-S627 PolarHBondContact O-N 3.49Å; S627-Q630 PolarHBondContact O-N 3.47Å; S627-I631 WeakPolarHBondContact O-CG1 3.33Å; S627-I631 PolarHBondContact O-N 3.37Å; S627-I631 VanDerWaalsContact O-N 3.09Å |
| 628 | I | 89.7 | Confident | 88.2 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 178.2 | -68.2 | 163.9 | 0 | 0 | 0 | 110.7 | I526 F527 F530 F610 R624 V626 Q630 I631 L632 | I526-I628 HydrophobicContact CG2-CD1 3.69Å; F527-I628 HydrophobicContact CD2-CD1 4.35Å; F530-I628 HydrophobicContact CB-CD1 3.97Å; F530-I628 HydrophobicContact CB-CG1 4.25Å; F530-I628 HydrophobicContact CB-CG2 4.03Å; F530-I628 HydrophobicContact CD1-CD1 4.3Å; F530-I628 HydrophobicContact CD1-CG1 3.82Å; F530-I628 HydrophobicContact CD1-CG2 4.27Å; F530-I628 HydrophobicContact CD2-CG2 3.87Å; F530-I628 HydrophobicContact CE1-CG1 4.45Å; F530-I628 HydrophobicContact CE2-CG2 4.47Å; F530-I628 HydrophobicContact CG-CD1 4.35Å; F530-I628 HydrophobicContact CG-CG1 4.08Å; F530-I628 HydrophobicContact CG-CG2 3.79Å; F610-I628 HydrophobicContact CD2-CG2 3.7Å; F610-I628 HydrophobicContact CE2-CG2 3.84Å; R624-I628 WeakPolarHBondContact O-CB 3.36Å; R624-I628 WeakPolarHBondContact O-CD1 3.4Å; R624-I628 VanDerWaalsContact O-CG1 3.26Å; R624-I628 WeakPolarHBondContact O-CG1 3.13Å; R624-I628 PolarHBondContact O-N 3.44Å; V626-I628 PolarHBondContact O-N 2.8Å; I628-Q630 VanDerWaalsContact C-N 3.32Å; I628-Q630 PolarHBondContact O-N 3.4Å; I628-I631 PolarHBondContact O-N 3.32Å; I628-L632 HydrophobicContact CG2-CD1 3.79Å; I628-L632 HydrophobicContact CG2-CG 4.15Å; I628-L632 WeakPolarHBondContact O-CB 3.12Å; I628-L632 WeakPolarHBondContact O-CG 3.35Å; I628-L632 PolarHBondContact O-N 3.09Å |
| 629 | H | 89.6 | Confident | 88.8 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.046 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 178.3 | -174.5 | -61.4 | 0 | 0 | 0 | 111.9 | M607 V614 A625 V626 S633 F914 | M607-H629 WeakPolarHBondContact CG-NE2 3.36Å; V614-H629 HydrophobicContact CG2-CB 4.48Å; A625-H629 WeakPolarHBondContact O-CB 3.43Å; A625-H629 PolarHBondContact O-N 3.14Å; V626-H629 PolarHBondContact O-N 3.34Å; H629-S633 WeakPolarHBondContact O-CB 3.48Å; H629-S633 PolarHBondContact O-N 3.05Å; H629-F914 AromaticContact CE1-CZ 3.82Å; H629-F914 AromaticContact ND1-CE1 3.94Å; H629-F914 AromaticContact ND1-CZ 3.56Å |
| 630 | Q | 89.5 | Confident | 89.4 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -43.9 | 175.7 | -73.6 | 177.9 | -0.8 | 0 | 0 | 111.4 | V626 S627 I628 S633 L634 F914 | V626-Q630 HydrophobicContact CG1-CG 4.38Å; V626-Q630 WeakPolarHBondContact O-CB 3.46Å; V626-Q630 VanDerWaalsContact O-CG 3.31Å; V626-Q630 WeakPolarHBondContact O-CG 3.47Å; V626-Q630 PolarHBondContact O-N 3.15Å; S627-Q630 PolarHBondContact O-N 3.47Å; I628-Q630 VanDerWaalsContact C-N 3.32Å; I628-Q630 PolarHBondContact O-N 3.4Å; Q630-S633 WeakPolarHBondContact O-CB 3.49Å; Q630-S633 PolarHBondContact O-N 3.43Å; Q630-L634 WeakPolarHBondContact O-CG 3.25Å; Q630-L634 PolarHBondContact O-N 2.95Å; Q630-L634 VanDerWaalsContact O-N 3.08Å; Q630-F914 HydrophobicContact CG-CD1 4.42Å; Q630-F914 HydrophobicContact CG-CE1 4.39Å |
| 631 | I | 91.1 | Very high | 90 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 28% | 0.277 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -50.2 | 176.1 | -66.3 | 166.8 | 0 | 0 | 0 | 110.5 | F530 S627 I628 S633 L634 V635 L744 L747 | F530-I631 HydrophobicContact CE1-CD1 4.34Å; F530-I631 HydrophobicContact CE2-CG2 4.38Å; F530-I631 HydrophobicContact CZ-CB 4.39Å; F530-I631 HydrophobicContact CZ-CG2 3.71Å; S627-I631 WeakPolarHBondContact O-CG1 3.33Å; S627-I631 PolarHBondContact O-N 3.37Å; S627-I631 VanDerWaalsContact O-N 3.09Å; I628-I631 PolarHBondContact O-N 3.32Å; I631-S633 VanDerWaalsContact C-N 3.27Å; I631-S633 PolarHBondContact O-N 3.22Å; I631-L634 WeakPolarHBondContact O-CB 3.29Å; I631-L634 PolarHBondContact O-N 2.6Å; I631-L634 VanDerWaalsContact O-N 3.09Å; I631-V635 HydrophobicContact CG2-CG2 4.36Å; I631-V635 VanDerWaalsContact O-CG2 3.32Å; I631-V635 WeakPolarHBondContact O-CG2 3.45Å; I631-V635 PolarHBondContact O-N 2.95Å; I631-L744 HydrophobicContact CG2-CD2 4Å; I631-L747 HydrophobicContact CD1-CD2 4.32Å |
| 632 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.9 | -67.6 | 174.1 | 0 | 0 | 0 | 112 | F530 Y533 T603 L606 M607 F610 I628 V635 S636 | F530-L632 HydrophobicContact CD2-CD2 4.16Å; F530-L632 HydrophobicContact CE2-CD2 3.87Å; F530-L632 HydrophobicContact CE2-CG 4.34Å; Y533-L632 HydrophobicContact CD1-CD2 3.99Å; Y533-L632 HydrophobicContact CE1-CD2 3.55Å; T603-L632 HydrophobicContact CG2-CB 4.14Å; T603-L632 HydrophobicContact CG2-CD2 4.05Å; T603-L632 WeakPolarHBondContact CG2-O 3.49Å; L606-L632 HydrophobicContact CB-CD1 4.11Å; L606-L632 HydrophobicContact CD2-CD1 3.83Å; L606-L632 HydrophobicContact CD2-CD2 4.14Å; L606-L632 HydrophobicContact CG-CD1 3.83Å; M607-L632 HydrophobicContact CB-CB 4.26Å; M607-L632 HydrophobicContact CB-CD1 4.27Å; M607-L632 VanDerWaalsContact CE-C 3.45Å; M607-L632 HydrophobicContact CE-CB 3.99Å; M607-L632 WeakPolarHBondContact CE-O 3.48Å; M607-L632 HydrophobicContact CG-CB 4.37Å; F610-L632 HydrophobicContact CD2-CD1 4.25Å; I628-L632 HydrophobicContact CG2-CD1 3.79Å; I628-L632 HydrophobicContact CG2-CG 4.15Å; I628-L632 WeakPolarHBondContact O-CB 3.12Å; I628-L632 WeakPolarHBondContact O-CG 3.35Å; I628-L632 PolarHBondContact O-N 3.09Å; L632-V635 PolarHBondContact O-N 3.49Å; L632-S636 WeakPolarHBondContact O-CB 3.48Å; L632-S636 PolarHBondContact O-N 2.92Å |
| 633 | S | 91.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -41 | 175.1 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | H629 Q630 I631 K637 | H629-S633 WeakPolarHBondContact O-CB 3.48Å; H629-S633 PolarHBondContact O-N 3.05Å; Q630-S633 WeakPolarHBondContact O-CB 3.49Å; Q630-S633 PolarHBondContact O-N 3.43Å; I631-S633 VanDerWaalsContact C-N 3.27Å; I631-S633 PolarHBondContact O-N 3.22Å; S633-K637 WeakPolarHBondContact O-CB 3.49Å; S633-K637 VanDerWaalsContact O-CG 3.28Å; S633-K637 WeakPolarHBondContact O-CG 3.44Å; S633-K637 PolarHBondContact O-N 3.28Å |
| 634 | L | 91.9 | Very high | 90.5 | Very high | 109 Ų | 109 | 45.9 Ų | 45.9 | 57% | 0.571 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.2 | -41.5 | 175.2 | -68 | 170.8 | 0 | 0 | 0 | 111.7 | Q630 I631 K637 R638 | Q630-L634 WeakPolarHBondContact O-CG 3.25Å; Q630-L634 PolarHBondContact O-N 2.95Å; Q630-L634 VanDerWaalsContact O-N 3.08Å; I631-L634 WeakPolarHBondContact O-CB 3.29Å; I631-L634 PolarHBondContact O-N 2.6Å; I631-L634 VanDerWaalsContact O-N 3.09Å; L634-K637 PolarHBondContact O-N 2.93Å; L634-R638 WeakPolarHBondContact O-CG 3.4Å; L634-R638 PolarHBondContact O-N 3.23Å |
| 635 | V | 93.4 | Very high | 90.4 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -49.4 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 111 | T603 I631 L632 K637 R638 F639 I740 L744 | T603-V635 HydrophobicContact CG2-CB 4.27Å; T603-V635 HydrophobicContact CG2-CG1 4.1Å; I631-V635 HydrophobicContact CG2-CG2 4.36Å; I631-V635 VanDerWaalsContact O-CG2 3.32Å; I631-V635 WeakPolarHBondContact O-CG2 3.45Å; I631-V635 PolarHBondContact O-N 2.95Å; L632-V635 PolarHBondContact O-N 3.49Å; V635-K637 VanDerWaalsContact C-N 3.33Å; V635-K637 PolarHBondContact O-N 3.44Å; V635-R638 PolarHBondContact O-N 3.2Å; V635-R638 VanDerWaalsContact O-N 3.12Å; V635-F639 HydrophobicContact CG1-CD2 3.69Å; V635-F639 HydrophobicContact CG1-CE2 3.31Å; V635-F639 HydrophobicContact CG1-CZ 4.12Å; V635-F639 PolarHBondContact O-N 3.42Å; V635-I740 HydrophobicContact CG1-CG2 4.27Å; V635-L744 HydrophobicContact CG1-CD1 4Å; V635-L744 HydrophobicContact CG2-CD1 3.72Å; V635-L744 HydrophobicContact CG2-CD2 3.75Å; V635-L744 HydrophobicContact CG2-CG 4.11Å |
| 636 | S | 94.1 | Very high | 90.1 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 10% | 0.098 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -42.2 | 177.7 | -177 | 0 | 0 | 0 | 0 | 111.9 | N604 L632 R638 F639 T640 | N604-S636 PolarHBondContact OD1-OG 2.99Å; L632-S636 WeakPolarHBondContact O-CB 3.48Å; L632-S636 PolarHBondContact O-N 2.92Å; S636-R638 PolarHBondContact O-N 3.38Å; S636-F639 PolarHBondContact O-N 2.95Å; S636-T640 WeakPolarHBondContact O-CB 3.44Å; S636-T640 PolarHBondContact O-N 2.84Å; S636-T640 PolarHBondContact O-OG1 2.82Å |
| 637 | K | 94.3 | Very high | 89.4 | Confident | 134 Ų | 134 | 49.2 Ų | 49.2 | 58% | 0.583 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.1 | -74.9 | 171.6 | -175.9 | 174.3 | 0 | 112.6 | S633 L634 V635 T640 K641 | S633-K637 WeakPolarHBondContact O-CB 3.49Å; S633-K637 VanDerWaalsContact O-CG 3.28Å; S633-K637 WeakPolarHBondContact O-CG 3.44Å; S633-K637 PolarHBondContact O-N 3.28Å; L634-K637 PolarHBondContact O-N 2.93Å; V635-K637 VanDerWaalsContact C-N 3.33Å; V635-K637 PolarHBondContact O-N 3.44Å; K637-T640 PolarHBondContact O-N 3.49Å; K637-K641 PolarHBondContact O-N 2.76Å |
| 638 | R | 94.6 | Very high | 88.2 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 178 | -73.9 | -179.3 | 74.8 | -178.3 | 0.2 | 111.5 | L634 V635 S636 K641 I642 I740 E743 | L634-R638 WeakPolarHBondContact O-CG 3.4Å; L634-R638 PolarHBondContact O-N 3.23Å; V635-R638 PolarHBondContact O-N 3.2Å; V635-R638 VanDerWaalsContact O-N 3.12Å; S636-R638 PolarHBondContact O-N 3.38Å; R638-K641 PolarHBondContact O-N 3.41Å; R638-I642 WeakPolarHBondContact O-CG1 3.3Å; R638-I642 PolarHBondContact O-N 3.3Å; R638-I642 VanDerWaalsContact O-N 3.15Å; R638-I740 HydrophobicContact CB-CD1 3.68Å; R638-I740 HydrophobicContact CB-CG1 4.35Å; R638-E743 IonicContact CZ-OE1 3.74Å; R638-E743 IonicContact CZ-OE2 3.59Å; R638-E743 IonicContact NH1-OE1 3.53Å; R638-E743 IonicContact NH1-OE2 2.67Å; R638-E743 PolarHBondContact NH1-OE2 2.95Å; R638-E743 IonicContact NH2-OE1 2.96Å; R638-E743 PolarHBondContact NH2-OE1 3.49Å; R638-E743 IonicContact NH2-OE2 3.56Å |
| 639 | F | 94.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 174.7 | -70.7 | -44.1 | 0 | 0 | 0 | 112.6 | L599 I600 V635 S636 K641 I642 Q643 I737 I740 | L599-F639 HydrophobicContact CB-CD2 4.16Å; L599-F639 HydrophobicContact CB-CE2 3.98Å; L599-F639 HydrophobicContact CB-CZ 4.2Å; L599-F639 HydrophobicContact CD1-CD1 4.43Å; L599-F639 HydrophobicContact CD1-CE1 3.85Å; L599-F639 HydrophobicContact CD1-CZ 3.9Å; I600-F639 HydrophobicContact CD1-CB 4.01Å; I600-F639 HydrophobicContact CG1-CB 3.48Å; I600-F639 VanDerWaalsContact CG1-CB 3.48Å; I600-F639 HydrophobicContact CG1-CG 4.42Å; V635-F639 HydrophobicContact CG1-CD2 3.69Å; V635-F639 HydrophobicContact CG1-CE2 3.31Å; V635-F639 HydrophobicContact CG1-CZ 4.12Å; V635-F639 PolarHBondContact O-N 3.42Å; S636-F639 PolarHBondContact O-N 2.95Å; F639-K641 VanDerWaalsContact C-N 3.29Å; F639-K641 PolarHBondContact O-N 3.39Å; F639-I642 HydrophobicContact CD1-CD1 4.46Å; F639-I642 PolarHBondContact O-N 3.4Å; F639-I642 VanDerWaalsContact O-N 3.11Å; F639-Q643 PolarHBondContact O-N 3.3Å; F639-I737 HydrophobicContact CE1-CG2 4.48Å; F639-I740 HydrophobicContact CD1-CD1 3.85Å; F639-I740 HydrophobicContact CE1-CB 4.21Å; F639-I740 HydrophobicContact CE1-CD1 3.83Å; F639-I740 HydrophobicContact CE1-CG2 4Å; F639-I740 HydrophobicContact CZ-CB 4.47Å; F639-I740 HydrophobicContact CZ-CG2 3.85Å |
| 640 | T | 92.6 | Very high | 84.2 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | S636 K637 I642 Q643 S644 | S636-T640 WeakPolarHBondContact O-CB 3.44Å; S636-T640 PolarHBondContact O-N 2.84Å; S636-T640 PolarHBondContact O-OG1 2.82Å; K637-T640 PolarHBondContact O-N 3.49Å; T640-I642 PolarHBondContact O-N 3.36Å; T640-Q643 WeakPolarHBondContact O-CB 3.39Å; T640-Q643 PolarHBondContact O-N 3.4Å; T640-S644 PolarHBondContact O-N 3.27Å |
| 641 | K | 91.2 | Very high | 81.6 | Confident | 122 Ų | 122 | 54 Ų | 54 | 53% | 0.53 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.7 | -170.2 | 176 | 176.1 | -171.3 | 0 | 111.6 | K637 R638 F639 S644 F645 F684 | K637-K641 PolarHBondContact O-N 2.76Å; R638-K641 PolarHBondContact O-N 3.41Å; F639-K641 VanDerWaalsContact C-N 3.29Å; F639-K641 PolarHBondContact O-N 3.39Å; K641-S644 PolarHBondContact O-N 3.35Å; K641-S644 PolarHBondContact O-OG 2.87Å; K641-F645 PolarHBondContact O-N 2.89Å; K641-F645 VanDerWaalsContact O-N 3.12Å; K641-F684 HydrophobicContact CD-CE1 3.97Å; K641-F684 HydrophobicContact CD-CZ 4.29Å |
| 642 | I | 88.9 | Confident | 78.9 | Confident | 7 Ų | 7 | 58 Ų | 58 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 175 | -59.1 | 168.5 | 0 | 0 | 0 | 110.8 | I596 R638 F639 T640 S644 F645 L646 V733 L736 I737 I740 | I596-I642 HydrophobicContact CD1-CB 4.32Å; I596-I642 HydrophobicContact CD1-CG2 3.52Å; I596-I642 HydrophobicContact CG1-CG2 4.48Å; R638-I642 WeakPolarHBondContact O-CG1 3.3Å; R638-I642 PolarHBondContact O-N 3.3Å; R638-I642 VanDerWaalsContact O-N 3.15Å; F639-I642 HydrophobicContact CD1-CD1 4.46Å; F639-I642 PolarHBondContact O-N 3.4Å; F639-I642 VanDerWaalsContact O-N 3.11Å; T640-I642 PolarHBondContact O-N 3.36Å; I642-S644 VanDerWaalsContact C-N 3.3Å; I642-S644 PolarHBondContact O-N 2.9Å; I642-F645 WeakPolarHBondContact O-CB 3.5Å; I642-F645 PolarHBondContact O-N 2.99Å; I642-F645 VanDerWaalsContact O-N 3.17Å; I642-L646 HydrophobicContact CG2-CD1 4.38Å; I642-L646 PolarHBondContact O-N 3.08Å; I642-L646 VanDerWaalsContact O-N 3.1Å; I642-V733 HydrophobicContact CG2-CG1 4.02Å; I642-L736 HydrophobicContact CD1-CB 3.74Å; I642-L736 HydrophobicContact CG1-CB 4.22Å; I642-L736 HydrophobicContact CG1-CD1 4.38Å; I642-I737 HydrophobicContact CD1-CG1 4.35Å; I642-I740 HydrophobicContact CD1-CD1 3.55Å |
| 643 | Q | 90.5 | Very high | 76.1 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.8 | -167.9 | -175.4 | 12.5 | 0 | 0 | 112.1 | I596 I600 F639 T640 F645 L646 S647 | I596-Q643 HydrophobicContact CG2-CB 3.82Å; I596-Q643 HydrophobicContact CG2-CG 4.34Å; I600-Q643 HydrophobicContact CD1-CB 4.33Å; I600-Q643 VanDerWaalsContact CD1-OE1 3.3Å; F639-Q643 PolarHBondContact O-N 3.3Å; T640-Q643 WeakPolarHBondContact O-CB 3.39Å; T640-Q643 PolarHBondContact O-N 3.4Å; Q643-F645 VanDerWaalsContact C-N 3.34Å; Q643-L646 PolarHBondContact O-N 3.14Å; Q643-S647 PolarHBondContact O-N 2.85Å; Q643-S647 PolarHBondContact O-OG 3.3Å |
| 644 | S | 85.2 | Confident | 73.3 | Confident | 69 Ų | 69 | 69.4 Ų | 69.4 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 176.7 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | T640 K641 I642 S647 S648 | T640-S644 PolarHBondContact O-N 3.27Å; K641-S644 PolarHBondContact O-N 3.35Å; K641-S644 PolarHBondContact O-OG 2.87Å; I642-S644 VanDerWaalsContact C-N 3.3Å; I642-S644 PolarHBondContact O-N 2.9Å; S644-S647 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-N 3.4Å; S644-S648 PolarHBondContact O-OG 3Å; S644-S648 VanDerWaalsContact O-OG 3.12Å |
| 645 | F | 81.6 | Confident | 70.3 | Confident | 79 Ų | 79 | 72 Ų | 72 | 35% | 0.346 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 176.9 | -176.5 | -105.9 | 0 | 0 | 0 | 112.5 | K641 I642 Q643 S648 V728 | K641-F645 PolarHBondContact O-N 2.89Å; K641-F645 VanDerWaalsContact O-N 3.12Å; I642-F645 WeakPolarHBondContact O-CB 3.5Å; I642-F645 PolarHBondContact O-N 2.99Å; I642-F645 VanDerWaalsContact O-N 3.17Å; Q643-F645 VanDerWaalsContact C-N 3.34Å; F645-S648 PolarHBondContact O-OG 3.03Å; F645-V728 HydrophobicContact CD1-CG1 4.11Å; F645-V728 HydrophobicContact CD1-CG2 4.27Å; F645-V728 HydrophobicContact CE1-CB 4.27Å; F645-V728 HydrophobicContact CE1-CG1 3.56Å; F645-V728 HydrophobicContact CE1-CG2 3.63Å; F645-V728 HydrophobicContact CZ-CG1 4.44Å; F645-V728 HydrophobicContact CZ-CG2 3.78Å |
| 646 | L | 80.2 | Confident | 67 | Low | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 172.9 | -81.3 | 152.4 | 0 | 0 | 0 | 112.9 | L589 I596 I642 Q643 S649 S650 V733 | L589-L646 HydrophobicContact CD2-CD2 3.69Å; I596-L646 HydrophobicContact CD1-CD1 3.18Å; I642-L646 HydrophobicContact CG2-CD1 4.38Å; I642-L646 PolarHBondContact O-N 3.08Å; I642-L646 VanDerWaalsContact O-N 3.1Å; Q643-L646 PolarHBondContact O-N 3.14Å; L646-S649 PolarHBondContact O-N 3.48Å; L646-S650 PolarHBondContact O-N 3.33Å; L646-S650 PolarHBondContact O-OG 3.28Å; L646-V733 HydrophobicContact CD1-CG1 3.87Å; L646-V733 HydrophobicContact CD1-CG2 4.48Å; L646-V733 HydrophobicContact CD2-CG1 4.37Å; L646-V733 HydrophobicContact CD2-CG2 3.92Å; L646-V733 HydrophobicContact CG-CG1 4.34Å; L646-V733 HydrophobicContact CG-CG2 4.06Å |
| 647 | S | 74 | Confident | 63.7 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 40% | 0.399 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69 | -36.9 | -177 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | Q643 S644 S649 S650 | Q643-S647 PolarHBondContact O-N 2.85Å; Q643-S647 PolarHBondContact O-OG 3.3Å; S644-S647 PolarHBondContact O-N 3.46Å; S647-S649 PolarHBondContact O-N 3.33Å; S647-S650 PolarHBondContact O-N 3.28Å |
| 648 | S | 60.5 | Low | 60.3 | Low | 75 Ų | 75 | 82.6 Ų | 82.6 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -24.6 | 176 | 46.2 | 0 | 0 | 0 | 0 | 114 | S644 F645 | S644-S648 PolarHBondContact O-N 3.4Å; S644-S648 PolarHBondContact O-OG 3Å; S644-S648 VanDerWaalsContact O-OG 3.12Å; F645-S648 PolarHBondContact O-OG 3.03Å |
| 649 | S | 51.8 | Low | 56.9 | Low | 30 Ų | 30 | 83.9 Ų | 83.9 | 21% | 0.21 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -94.9 | -27.6 | -177.6 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | L646 S647 A651 L652 V728 | L646-S649 PolarHBondContact O-N 3.48Å; S647-S649 PolarHBondContact O-N 3.33Å; S649-A651 PolarHBondContact O-N 3.05Å; S649-L652 PolarHBondContact O-N 3.34Å; S649-V728 WeakPolarHBondContact OG-CG2 3.33Å |
| 650 | S | 43.4 | Very low | 53.5 | Low | 56 Ų | 56 | 90.7 Ų | 90.7 | 39% | 0.392 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -25.9 | 175.9 | -49.3 | 0 | 0 | 0 | 0 | 112.5 | L646 S647 L652 Q653 | L646-S650 PolarHBondContact O-N 3.33Å; L646-S650 PolarHBondContact O-OG 3.28Å; S647-S650 PolarHBondContact O-N 3.28Å; S650-L652 PolarHBondContact O-N 3Å; S650-Q653 PolarHBondContact O-N 3.31Å |
| 651 | A | 35.8 | Very low | 50.1 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 67% | 0.669 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -12 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S649 | S649-A651 PolarHBondContact O-N 3.05Š|
| 652 | L | 33.4 | Very low | 46.7 | Very low | 137 Ų | 137 | 98.3 Ų | 98.3 | 72% | 0.717 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -7.6 | 179.8 | -70.3 | 171.8 | 0 | 0 | 0 | 115 | S649 S650 | S649-L652 PolarHBondContact O-N 3.34Å; S650-L652 PolarHBondContact O-N 3Å |
| 653 | Q | 35.1 | Very low | 43.6 | Very low | 92 Ų | 92 | 105 Ų | 105 | 43% | 0.43 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -96.8 | -4.9 | -176.3 | -78.3 | -177.4 | -14.3 | 0 | 0 | 115.3 | S650 N655 | S650-Q653 PolarHBondContact O-N 3.31Å; Q653-N655 VanDerWaalsContact C-N 3.29Å; Q653-N655 PolarHBondContact O-N 3.46Å |
| 654 | Q | 31.8 | Very low | 40.3 | Very low | 179 Ų | 179 | 110.6 Ų | 110.6 | 84% | 0.836 | 64% | 0.637 | S | S | * | * | trans | -80 | 1 | 178.6 | -75.5 | -160.2 | -8 | 0 | 0 | 115.3 | S656 | Q654-S656 PolarHBondContact O-N 3.31Š| ||
| 655 | N | 28.8 | Very low | 37.4 | Very low | 164 Ų | 164 | 113.7 Ų | 113.7 | 88% | 0.877 | 65% | 0.648 | S | S | * | * | trans | -92.2 | 74.9 | 171.4 | -98.1 | -2.8 | 0 | 0 | 0 | 111.1 | Q653 N657 | Q653-N655 VanDerWaalsContact C-N 3.29Å; Q653-N655 PolarHBondContact O-N 3.46Å; N655-N657 PolarHBondContact O-N 3.4Å | ||
| 656 | S | 24.7 | Very low | 34.6 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -72.9 | 112.2 | 166.4 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | Q654 | Q654-S656 PolarHBondContact O-N 3.31Š| ||
| 657 | N | 24.3 | Very low | 31.9 | Very low | 158 Ų | 158 | 121.9 Ų | 121.9 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | trans | -137.3 | 105.1 | 149.7 | -105.6 | -12.4 | 0 | 0 | 0 | 107.8 | N655 S659 | N655-N657 PolarHBondContact O-N 3.4Å; N657-S659 PolarHBondContact O-N 2.89Å | ||
| 658 | P | 23.9 | Very low | 29.3 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | trans | -91.6 | 77.9 | -173 | 35.2 | -31.2 | 0 | 0 | 0 | 110.3 | ||||
| 659 | S | 23.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -157.4 | 82.7 | 173.4 | -73.3 | 0 | 0 | 0 | 0 | 111 | N657 | N657-S659 PolarHBondContact O-N 2.89Š| ||
| 660 | T | 23.1 | Very low | 26.1 | Very low | 144 Ų | 144 | 130.8 Ų | 130.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 165.6 | 80.9 | 147.2 | 37.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 661 | L | 20.1 | Very low | 25.1 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 94.6 | 164.6 | -75.6 | 171.2 | 0 | 0 | 0 | 107.1 | ||||
| 662 | I | 21.1 | Very low | 24.5 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 86% | 0.862 | 78% | 0.784 | S | S | * | * | trans | -124.3 | 126.5 | 162.4 | -61.8 | -178.8 | 0 | 0 | 0 | 106.9 | ||||
| 663 | L | 22.3 | Very low | 24 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -59 | 142.2 | -176.6 | -62.1 | 143.8 | 0 | 0 | 0 | 111.4 | ||||
| 664 | D | 22.4 | Very low | 23.4 | Very low | 174 Ų | 174 | 142 Ų | 142 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | trans | -139.6 | 132.1 | 141.4 | -92.7 | -35.4 | 0 | 0 | 0 | 109.9 | ||||
| 665 | N | 23.5 | Very low | 23 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 166.5 | -176.3 | -79.8 | -32.1 | 0 | 0 | 0 | 112.3 | ||||
| 666 | D | 23.1 | Very low | 22.9 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 70.1 | 84.9 | 153.2 | -58.5 | -27.9 | 0 | 0 | 0 | 117.8 | ||||
| 667 | S | 23.2 | Very low | 22.9 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | -175.3 | 117.3 | 127.1 | 27.4 | 0 | 0 | 0 | 0 | 110.9 | P669 | S667-P669 VanDerWaalsContact O-CD 3.24Å; S667-P669 WeakPolarHBondContact O-CD 3.23Å | |||
| 668 | S | 20.4 | Very low | 23 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -61.5 | 115.7 | 169.3 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 669 | P | 23.5 | Very low | 23.1 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -84.9 | 133.6 | 168 | 2.3 | 17.9 | 0 | 0 | 0 | 109.3 | S667 | S667-P669 VanDerWaalsContact O-CD 3.24Å; S667-P669 WeakPolarHBondContact O-CD 3.23Å | ||
| 670 | S | 21.9 | Very low | 23.3 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -56.2 | 139 | -178.6 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | S672 | S670-S672 PolarHBondContact O-N 2.86Š| ||
| 671 | L | 21.8 | Very low | 23.5 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 90% | 0.895 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -61.6 | 82.5 | 173.5 | -167.5 | 80.5 | 0 | 0 | 0 | 111.9 | ||
| 672 | S | 23.8 | Very low | 23.9 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | trans | -147.4 | 1.9 | 173.7 | 66.1 | 0 | 0 | 0 | 0 | 118 | S670 | S670-S672 PolarHBondContact O-N 2.86Š| ||
| 673 | N | 22.3 | Very low | 24.3 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -111.1 | 11.9 | -179.4 | -100.1 | 3.7 | 0 | 0 | 0 | 116.1 | ||
| 674 | Y | 21.8 | Very low | 24.6 | Very low | 198 Ų | 198 | 119.8 Ų | 119.8 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -88.2 | 3.3 | -180 | -81 | -77.7 | 0 | 0 | 0 | 115.4 | S676 | Y674-S676 PolarHBondContact O-N 3.23Š|
| 675 | Q | 24.9 | Very low | 24.8 | Very low | 164 Ų | 164 | 119.2 Ų | 119.2 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -74.5 | -7.3 | 178.1 | -76.9 | -175.4 | -23.1 | 0 | 0 | 114.4 | ||
| 676 | S | 25.5 | Very low | 24.8 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -87.7 | -4.1 | -179 | -52.8 | 0 | 0 | 0 | 0 | 114.8 | Y674 | Y674-S676 PolarHBondContact O-N 3.23Š|
| 677 | L | 24.5 | Very low | 24.9 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.4 | -22.4 | 178.7 | -135.6 | 79.1 | 0 | 0 | 0 | 114 | N679 L680 V732 | L677-N679 PolarHBondContact O-N 2.72Å; L677-L680 PolarHBondContact O-N 3.21Å; L677-V732 HydrophobicContact CD2-CG2 3.7Å |
| 678 | D | 26.4 | Very low | 24.9 | Very low | 113 Ų | 113 | 118.6 Ų | 118.6 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.2 | -26.8 | 173.7 | -73.1 | -27.9 | 0 | 0 | 0 | 111.5 | L680 A681 D682 | D678-L680 PolarHBondContact O-N 3.25Å; D678-A681 PolarHBondContact O-N 3.4Å; D678-A681 VanDerWaalsContact O-N 3.13Å; D678-D682 PolarHBondContact O-N 2.99Å; D678-D682 VanDerWaalsContact O-N 3.16Å |
| 679 | N | 27.3 | Very low | 24.9 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 54% | 0.54 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.7 | -17.4 | 174.3 | -75.7 | -27.1 | 0 | 0 | 0 | 114.2 | L677 Q683 | L677-N679 PolarHBondContact O-N 2.72Å; N679-Q683 WeakPolarHBondContact O-CB 3.45Å; N679-Q683 WeakPolarHBondContact O-CG 3.42Å; N679-Q683 PolarHBondContact O-N 3.3Å |
| 680 | L | 26.4 | Very low | 24.8 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 42% | 0.424 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -80.2 | -32.8 | 174 | -103.2 | 151.6 | 0 | 0 | 0 | 111.6 | L677 D678 D682 Q683 F684 | L677-L680 PolarHBondContact O-N 3.21Å; D678-L680 PolarHBondContact O-N 3.25Å; L680-D682 VanDerWaalsContact C-N 3.33Å; L680-Q683 PolarHBondContact O-N 3.14Å; L680-F684 WeakPolarHBondContact O-CD2 3.24Å; L680-F684 PolarHBondContact O-N 3.27Å |
| 681 | A | 27.2 | Very low | 24.7 | Very low | 62 Ų | 62 | 121.7 Ų | 121.7 | 51% | 0.512 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.9 | -39.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D678 F684 H685 | D678-A681 PolarHBondContact O-N 3.4Å; D678-A681 VanDerWaalsContact O-N 3.13Å; A681-F684 PolarHBondContact O-N 3.35Å; A681-H685 PolarHBondContact O-N 3.43Å |
| 682 | D | 29 | Very low | 24.7 | Very low | 94 Ų | 94 | 119 Ų | 119 | 50% | 0.503 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -72.6 | -29.6 | 176 | -72.1 | -26.1 | 0 | 0 | 0 | 113.4 | D678 L680 F684 H685 N686 | D678-D682 PolarHBondContact O-N 2.99Å; D678-D682 VanDerWaalsContact O-N 3.16Å; L680-D682 VanDerWaalsContact C-N 3.33Å; D682-F684 VanDerWaalsContact C-N 3.27Å; D682-F684 PolarHBondContact O-N 2.93Å; D682-H685 PolarHBondContact O-N 2.96Å; D682-H685 VanDerWaalsContact O-N 3.09Å; D682-N686 PolarHBondContact O-N 3.37Å |
| 683 | Q | 28.9 | Very low | 24.5 | Very low | 135 Ų | 135 | 120.5 Ų | 120.5 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.4 | -25.2 | 169.3 | -87.9 | -169.6 | 6 | 0 | 0 | 113.2 | N679 L680 H685 | N679-Q683 WeakPolarHBondContact O-CB 3.45Å; N679-Q683 WeakPolarHBondContact O-CG 3.42Å; N679-Q683 PolarHBondContact O-N 3.3Å; L680-Q683 PolarHBondContact O-N 3.14Å; Q683-H685 VanDerWaalsContact C-N 3.33Å |
| 684 | F | 28.2 | Very low | 24.4 | Very low | 63 Ų | 63 | 120 Ų | 120 | 28% | 0.276 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.6 | -26.3 | 169 | -82.8 | -72.2 | 0 | 0 | 0 | 112.2 | K641 L680 A681 D682 L736 | K641-F684 HydrophobicContact CD-CE1 3.97Å; K641-F684 HydrophobicContact CD-CZ 4.29Å; L680-F684 WeakPolarHBondContact O-CD2 3.24Å; L680-F684 PolarHBondContact O-N 3.27Å; A681-F684 PolarHBondContact O-N 3.35Å; D682-F684 VanDerWaalsContact C-N 3.27Å; D682-F684 PolarHBondContact O-N 2.93Å; F684-L736 HydrophobicContact CD2-CD2 3.86Å; F684-L736 HydrophobicContact CE2-CD1 4.45Å; F684-L736 HydrophobicContact CE2-CD2 3.75Å; F684-L736 HydrophobicContact CZ-CD2 4.43Å |
| 685 | H | 26.3 | Very low | 24.3 | Very low | 162 Ų | 162 | 117.4 Ų | 117.4 | 75% | 0.75 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78.8 | -28.2 | 174.4 | -144 | 60.9 | 0 | 0 | 0 | 113 | A681 D682 Q683 | A681-H685 PolarHBondContact O-N 3.43Å; D682-H685 PolarHBondContact O-N 2.96Å; D682-H685 VanDerWaalsContact O-N 3.09Å; Q683-H685 VanDerWaalsContact C-N 3.33Å |
| 686 | N | 25.1 | Very low | 24.2 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 65% | 0.652 | 64% | 0.641 | S | S | * | * | trans | -114.7 | 45.6 | -174 | -76.2 | -34.5 | 0 | 0 | 0 | 115 | D682 Q688 | D682-N686 PolarHBondContact O-N 3.37Å; N686-Q688 PolarHBondContact O-N 3.12Å | ||
| 687 | S | 24.4 | Very low | 24 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | trans | -74.9 | 70.3 | 170 | 70 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 688 | Q | 22.4 | Very low | 23.8 | Very low | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 66% | 0.658 | S | S | * | * | trans | -135.1 | 133.9 | 155.9 | -83.2 | -100.4 | 2.3 | 0 | 0 | 106.1 | N686 | N686-Q688 PolarHBondContact O-N 3.12Š| ||
| 689 | L | 21.5 | Very low | 23.7 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 78% | 0.775 | 67% | 0.667 | S | S | * | * | trans | 82.2 | 79.7 | 170.5 | -52.5 | 166.5 | 0 | 0 | 0 | 117.9 | ||||
| 690 | I | 21.6 | Very low | 23.4 | Very low | 159 Ų | 159 | 124 Ų | 124 | 82% | 0.815 | 68% | 0.684 | S | S | * | * | trans | -127.8 | 104 | 142.3 | -60.6 | -178.8 | 0 | 0 | 0 | 108.2 | T692 | I690-T692 PolarHBondContact O-N 3.33Š| ||
| 691 | S | 19.8 | Very low | 23.3 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -76.8 | 104.8 | 170.7 | -42.8 | 0 | 0 | 0 | 0 | 108.4 | S693 | S691-S693 PolarHBondContact O-N 3.13Š| ||
| 692 | T | 20.7 | Very low | 23.1 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | trans | -69.5 | 102.7 | 169.1 | 36.5 | 0 | 0 | 0 | 0 | 110.5 | I690 | I690-T692 PolarHBondContact O-N 3.33Š| ||
| 693 | S | 20.7 | Very low | 22.9 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 74% | 0.736 | S | S | * | * | trans | -94.5 | 91.2 | 157.5 | -67.7 | 0 | 0 | 0 | 0 | 108 | S691 N695 | S691-S693 PolarHBondContact O-N 3.13Å; S693-N695 PolarHBondContact O-N 2.92Å | ||
| 694 | I | 20.4 | Very low | 22.4 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 70% | 0.697 | 75% | 0.747 | S | S | * | * | trans | -78.1 | 104.6 | 174.8 | -65.8 | 167.5 | 0 | 0 | 0 | 107 | I696 | I694-I696 HydrophobicContact CG2-CG1 3.89Š| ||
| 695 | N | 19.7 | Very low | 22.2 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | trans | -96.1 | 109.1 | 169.8 | -163.1 | 2.6 | 0 | 0 | 0 | 108.3 | S693 N697 | S693-N695 PolarHBondContact O-N 2.92Å; N695-N697 PolarHBondContact O-N 2.99Å | ||
| 696 | I | 21.8 | Very low | 22.1 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 65% | 0.646 | 77% | 0.771 | S | S | * | * | trans | -82.3 | 101.5 | -178.1 | -61.2 | 175.3 | 0 | 0 | 0 | 107.6 | I694 | I694-I696 HydrophobicContact CG2-CG1 3.89Š| ||
| 697 | N | 21.7 | Very low | 21.9 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -87 | 106.3 | 170.5 | -105.5 | -3.2 | 0 | 0 | 0 | 109.5 | N695 N699 | N695-N697 PolarHBondContact O-N 2.99Å; N697-N699 PolarHBondContact O-N 3.35Å | ||
| 698 | N | 20.9 | Very low | 21.7 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | -84.2 | 98.8 | 166.4 | -74.3 | -21.3 | 0 | 0 | 0 | 108.9 | ||||
| 699 | N | 22.7 | Very low | 21.7 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -118.3 | 101.2 | 167.4 | -91.3 | -9.1 | 0 | 0 | 0 | 109.3 | N697 | N697-N699 PolarHBondContact O-N 3.35Š| ||
| 700 | T | 22.5 | Very low | 21.8 | Very low | 147 Ų | 147 | 141.5 Ų | 141.5 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | -121.1 | 114.4 | 163.4 | 45.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 701 | G | 24.5 | Very low | 21.7 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | -172.5 | 86.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 702 | D | 21.4 | Very low | 21.8 | Very low | 155 Ų | 155 | 145 Ų | 145 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -43.7 | 139 | 161.8 | -76.7 | -56.4 | 0 | 0 | 0 | 111.4 | ||||
| 703 | N | 25.9 | Very low | 21.8 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -163.5 | 127.5 | 132.7 | -91.9 | -30.8 | 0 | 0 | 0 | 111.5 | ||||
| 704 | R | 19.1 | Very low | 21.9 | Very low | 230 Ų | 230 | 146.3 Ų | 146.3 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -78.1 | 172.1 | 175.1 | -73.9 | 169.5 | 150.5 | 143.3 | -6.6 | 111 | ||||
| 705 | V | 22.8 | Very low | 21.9 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | 80.2 | 115 | 159.5 | -150.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 706 | D | 23.6 | Very low | 22.1 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | -162.6 | 149.7 | 61.6 | -101.5 | -50.7 | 0 | 0 | 0 | 113.6 | |||||
| 707 | T | 21.4 | Very low | 22 | Very low | 120 Ų | 120 | 148 Ų | 148 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 161.7 | 168.8 | 29.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 708 | Q | 20.8 | Very low | 22.1 | Very low | 163 Ų | 163 | 149.8 Ų | 149.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | 102.2 | 109.3 | 161 | -55.5 | -93.6 | -0.6 | 0 | 0 | 115.6 | ||||
| 709 | L | 21.9 | Very low | 22.1 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | 173.5 | 112.3 | 121.5 | -93.8 | 151.4 | 0 | 0 | 0 | 112.8 | |||||
| 710 | H | 23.2 | Very low | 22.2 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 25 | 108.5 | 144.9 | -73.3 | -65.4 | 0 | 0 | 0 | 121.3 | R712 | H710-R712 PolarHBondContact O-N 3.45Š| ||
| 711 | S | 21.3 | Very low | 22.2 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | 19 | 97.6 | 123.6 | 60.7 | 0 | 0 | 0 | 0 | 118 | |||||
| 712 | R | 20.4 | Very low | 22.3 | Very low | 237 Ų | 237 | 147.3 Ų | 147.3 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -128.8 | 90.5 | 149.6 | -153.7 | 82.1 | 170 | -167.6 | -1.6 | 108.2 | H710 N714 | H710-R712 PolarHBondContact O-N 3.45Å; R712-N714 PolarHBondContact O-N 3.19Å | ||
| 713 | S | 21.5 | Very low | 22.5 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -64.5 | 101.3 | 170.3 | 40.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 714 | N | 23.3 | Very low | 22.6 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -116.7 | 103.3 | 153.8 | -92.7 | -4.1 | 0 | 0 | 0 | 107.4 | R712 I716 | R712-N714 PolarHBondContact O-N 3.19Å; N714-I716 PolarHBondContact O-N 2.97Å; N714-I716 VanDerWaalsContact O-N 3.09Å | ||
| 715 | S | 20.2 | Very low | 23.2 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 99.6 | 169.7 | 45.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 716 | I | 23.1 | Very low | 24.1 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -115.7 | 106.8 | 153.9 | -61.8 | 177.3 | 0 | 0 | 0 | 105.5 | N714 M718 | N714-I716 PolarHBondContact O-N 2.97Å; N714-I716 VanDerWaalsContact O-N 3.09Å; I716-M718 PolarHBondContact O-N 3.44Å; I716-M718 VanDerWaalsContact O-N 3.08Å | ||
| 717 | Q | 20.7 | Very low | 25.5 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -55.1 | 104.2 | 175.2 | -173.6 | 169.7 | -23.9 | 0 | 0 | 108.7 | ||||
| 718 | M | 22.7 | Very low | 27.6 | Very low | 172 Ų | 172 | 128.2 Ų | 128.2 | 85% | 0.847 | 72% | 0.719 | S | S | * | * | trans | -86.7 | 111.9 | 169.4 | -79.6 | -85.8 | 172.1 | 0 | 0 | 106.8 | I716 A720 | I716-M718 PolarHBondContact O-N 3.44Å; I716-M718 VanDerWaalsContact O-N 3.08Å; M718-A720 PolarHBondContact O-N 3.33Å | ||
| 719 | D | 21.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 77% | 0.77 | 70% | 0.697 | S | S | * | * | trans | -52.7 | 127 | 173.3 | -75.7 | -36.8 | 0 | 0 | 0 | 110.4 | S721 | D719-S721 PolarHBondContact O-N 2.89Å; D719-S721 VanDerWaalsContact O-N 3.15Å | ||
| 720 | A | 24.2 | Very low | 33 | Very low | 97 Ų | 97 | 115.1 Ų | 115.1 | 80% | 0.802 | 66% | 0.659 | S | S | * | * | trans | -62.1 | 113.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | M718 | M718-A720 PolarHBondContact O-N 3.33Š| ||
| 721 | S | 23.5 | Very low | 35.7 | Very low | 111 Ų | 111 | 110.4 Ų | 110.4 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | trans | -65.6 | 123.8 | 171.1 | 12.6 | 0 | 0 | 0 | 0 | 108.3 | D719 S723 | D719-S721 PolarHBondContact O-N 2.89Å; D719-S721 VanDerWaalsContact O-N 3.15Å; S721-S723 PolarHBondContact O-N 3.43Å | ||
| 722 | P | 25.5 | Very low | 38.7 | Very low | 112 Ų | 112 | 107.5 Ų | 107.5 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | trans | -69.5 | 133.7 | 179.6 | 28.2 | -31 | 0 | 0 | 0 | 108.9 | L724 | P722-L724 PolarHBondContact O-N 2.89Š| ||
| 723 | S | 25.7 | Very low | 41.9 | Very low | 111 Ų | 111 | 96.2 Ų | 96.2 | 78% | 0.776 | 58% | 0.576 | S | S | * | * | trans | -57.4 | 91.5 | 174.2 | 49.2 | 0 | 0 | 0 | 0 | 111 | S721 T725 | S721-S723 PolarHBondContact O-N 3.43Å; S723-T725 VanDerWaalsContact C-N 3.3Å; S723-T725 PolarHBondContact O-N 3.5Å | ||
| 724 | L | 28 | Very low | 45 | Very low | 164 Ų | 164 | 91.1 Ų | 91.1 | 86% | 0.859 | 54% | 0.54 | S | S | * | . | trans | -68.8 | 89 | 164.4 | -75.9 | 161.9 | 0 | 0 | 0 | 108 | P722 S726 | P722-L724 PolarHBondContact O-N 2.89Å; L724-S726 VanDerWaalsContact C-N 3.31Å; L724-S726 PolarHBondContact O-N 3.47Å | ||
| 725 | T | 31.4 | Very low | 48 | Very low | 102 Ų | 102 | 90.9 Ų | 90.9 | 63% | 0.626 | 53% | 0.532 | S | S | * | . | trans | -57 | 103.4 | 157 | 46.7 | 0 | 0 | 0 | 0 | 106.6 | S723 I727 | S723-T725 VanDerWaalsContact C-N 3.3Å; S723-T725 PolarHBondContact O-N 3.5Å; T725-I727 PolarHBondContact O-N 2.87Å | ||
| 726 | S | 42.9 | Very low | 51.3 | Low | 92 Ų | 92 | 86.9 Ų | 86.9 | 64% | 0.643 | 50% | 0.501 | S | S | * | . | trans | -67 | 71 | 172.2 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | L724 V728 | L724-S726 VanDerWaalsContact C-N 3.31Å; L724-S726 PolarHBondContact O-N 3.47Å; S726-V728 PolarHBondContact O-N 3.42Å | ||
| 727 | I | 53.1 | Low | 54.5 | Low | 62 Ų | 62 | 80.1 Ų | 80.1 | 32% | 0.318 | 47% | 0.466 | S | S | . | . | trans | -72.5 | 114.2 | 173 | -60.8 | 169.9 | 0 | 0 | 0 | 105.1 | T725 S729 | T725-I727 PolarHBondContact O-N 2.87Å; I727-S729 PolarHBondContact O-N 3.31Å | ||
| 728 | V | 64.1 | Low | 57.8 | Low | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.067 | 44% | 0.441 | C | S | . | . | trans | -57.2 | 113.1 | 169.9 | 165.4 | 0 | 0 | 0 | 0 | 107.1 | F645 S649 S726 P730 V733 | F645-V728 HydrophobicContact CD1-CG1 4.11Å; F645-V728 HydrophobicContact CD1-CG2 4.27Å; F645-V728 HydrophobicContact CE1-CB 4.27Å; F645-V728 HydrophobicContact CE1-CG1 3.56Å; F645-V728 HydrophobicContact CE1-CG2 3.63Å; F645-V728 HydrophobicContact CZ-CG1 4.44Å; F645-V728 HydrophobicContact CZ-CG2 3.78Å; S649-V728 WeakPolarHBondContact OG-CG2 3.33Å; S726-V728 PolarHBondContact O-N 3.42Å; V728-P730 WeakPolarHBondContact O-CD 3.31Å; V728-V733 HydrophobicContact CG1-CG2 3.55Å | ||
| 729 | S | 76.6 | Confident | 61 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | trans | -64.7 | 125.9 | 177.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | I727 T731 V732 | I727-S729 PolarHBondContact O-N 3.31Å; S729-T731 PolarHBondContact O-N 2.92Å; S729-T731 WeakPolarHBondContact OG-CB 3.45Å; S729-T731 PolarHBondContact OG-OG1 3.06Å; S729-V732 PolarHBondContact O-N 3.47Å | ||
| 730 | P | 79.9 | Confident | 64.2 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -48.1 | -33.1 | 173.9 | -29.4 | 35.2 | 0 | 0 | 0 | 113.1 | F552 L589 L592 V728 V732 V733 L734 | F552-P730 HydrophobicContact CD1-CB 4.06Å; F552-P730 HydrophobicContact CD1-CG 4.49Å; F552-P730 HydrophobicContact CE1-CB 3.76Å; F552-P730 HydrophobicContact CE1-CG 3.71Å; F552-P730 HydrophobicContact CE2-CG 4.35Å; F552-P730 HydrophobicContact CZ-CB 4.04Å; F552-P730 HydrophobicContact CZ-CG 3.63Å; L589-P730 HydrophobicContact CD2-CB 4.49Å; L589-P730 HydrophobicContact CD2-CG 4.02Å; L589-P730 HydrophobicContact CG-CG 4.02Å; L592-P730 HydrophobicContact CD1-CB 3.77Å; L592-P730 WeakPolarHBondContact CD1-O 3.39Å; V728-P730 WeakPolarHBondContact O-CD 3.31Å; P730-V732 VanDerWaalsContact C-N 3.34Å; P730-V732 PolarHBondContact O-N 3.02Å; P730-V733 PolarHBondContact O-N 3.38Å; P730-L734 WeakPolarHBondContact O-CB 3.29Å; P730-L734 PolarHBondContact O-N 3.24Å |
| 731 | T | 80.5 | Confident | 67.4 | Low | 55 Ų | 55 | 58.6 Ų | 58.6 | 34% | 0.337 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58 | -39.7 | 177 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | S729 K735 | S729-T731 PolarHBondContact O-N 2.92Å; S729-T731 WeakPolarHBondContact OG-CB 3.45Å; S729-T731 PolarHBondContact OG-OG1 3.06Å; T731-K735 WeakPolarHBondContact O-CB 3.27Å; T731-K735 WeakPolarHBondContact O-CG 3.45Å; T731-K735 PolarHBondContact O-N 2.96Å |
| 732 | V | 84.4 | Confident | 70.5 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.3 | -45.5 | -179 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L677 S729 P730 L734 K735 L736 | L677-V732 HydrophobicContact CD2-CG2 3.7Å; S729-V732 PolarHBondContact O-N 3.47Å; P730-V732 VanDerWaalsContact C-N 3.34Å; P730-V732 PolarHBondContact O-N 3.02Å; V732-L734 VanDerWaalsContact C-N 3.33Å; V732-L734 PolarHBondContact O-N 3.16Å; V732-K735 PolarHBondContact O-N 3.34Å; V732-L736 HydrophobicContact CG1-CD1 4.45Å; V732-L736 WeakPolarHBondContact O-CG 3.41Å; V732-L736 PolarHBondContact O-N 3.46Å |
| 733 | V | 86.2 | Confident | 73.5 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | L592 I596 I642 L646 V728 P730 K735 L736 I737 | L592-V733 HydrophobicContact CB-CG1 4.22Å; L592-V733 HydrophobicContact CD1-CB 4.14Å; L592-V733 HydrophobicContact CD1-CG1 4.06Å; I596-V733 HydrophobicContact CD1-CG1 3.97Å; I642-V733 HydrophobicContact CG2-CG1 4.02Å; L646-V733 HydrophobicContact CD1-CG1 3.87Å; L646-V733 HydrophobicContact CD1-CG2 4.48Å; L646-V733 HydrophobicContact CD2-CG1 4.37Å; L646-V733 HydrophobicContact CD2-CG2 3.92Å; L646-V733 HydrophobicContact CG-CG1 4.34Å; L646-V733 HydrophobicContact CG-CG2 4.06Å; V728-V733 HydrophobicContact CG1-CG2 3.55Å; P730-V733 PolarHBondContact O-N 3.38Å; V733-K735 VanDerWaalsContact C-N 3.35Å; V733-K735 PolarHBondContact O-N 3.1Å; V733-L736 PolarHBondContact O-N 2.8Å; V733-I737 HydrophobicContact CG1-CD1 4.05Å; V733-I737 WeakPolarHBondContact O-CG1 3.39Å; V733-I737 PolarHBondContact O-N 3.35Å |
| 734 | L | 87.1 | Confident | 76.4 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 179.2 | -171.9 | 69.5 | 0 | 0 | 0 | 112.6 | I545 L592 P730 V732 I737 R738 | I545-L734 HydrophobicContact CD1-CD1 3.91Å; I545-L734 HydrophobicContact CG1-CD1 3.47Å; I545-L734 VanDerWaalsContact CG1-CD1 3.47Å; I545-L734 HydrophobicContact CG1-CD2 4.07Å; I545-L734 HydrophobicContact CG1-CG 4.31Å; L592-L734 HydrophobicContact CD2-CB 4.44Å; L592-L734 HydrophobicContact CD2-CD1 3.84Å; P730-L734 WeakPolarHBondContact O-CB 3.29Å; P730-L734 PolarHBondContact O-N 3.24Å; V732-L734 VanDerWaalsContact C-N 3.33Å; V732-L734 PolarHBondContact O-N 3.16Å; L734-I737 PolarHBondContact O-N 3.2Å; L734-R738 WeakPolarHBondContact O-CB 3.45Å; L734-R738 WeakPolarHBondContact O-CG 3.29Å; L734-R738 PolarHBondContact O-N 3.31Å |
| 735 | K | 86.7 | Confident | 79.2 | Confident | 141 Ų | 141 | 46 Ų | 46 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 173.7 | -79.2 | 179 | 177.7 | -174.7 | 0 | 112.1 | T731 V732 V733 R738 S739 | T731-K735 WeakPolarHBondContact O-CB 3.27Å; T731-K735 WeakPolarHBondContact O-CG 3.45Å; T731-K735 PolarHBondContact O-N 2.96Å; V732-K735 PolarHBondContact O-N 3.34Å; V733-K735 VanDerWaalsContact C-N 3.35Å; V733-K735 PolarHBondContact O-N 3.1Å; K735-R738 PolarHBondContact O-N 2.95Å; K735-S739 PolarHBondContact O-N 2.94Å |
| 736 | L | 89.8 | Confident | 81.8 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 178.4 | -69.7 | 171.1 | 0 | 0 | 0 | 111.9 | I642 F684 V732 V733 S739 I740 | I642-L736 HydrophobicContact CD1-CB 3.74Å; I642-L736 HydrophobicContact CG1-CB 4.22Å; I642-L736 HydrophobicContact CG1-CD1 4.38Å; F684-L736 HydrophobicContact CD2-CD2 3.86Å; F684-L736 HydrophobicContact CE2-CD1 4.45Å; F684-L736 HydrophobicContact CE2-CD2 3.75Å; F684-L736 HydrophobicContact CZ-CD2 4.43Å; V732-L736 HydrophobicContact CG1-CD1 4.45Å; V732-L736 WeakPolarHBondContact O-CG 3.41Å; V732-L736 PolarHBondContact O-N 3.46Å; V733-L736 PolarHBondContact O-N 2.8Å; L736-S739 PolarHBondContact O-N 3.05Å; L736-I740 PolarHBondContact O-N 3.14Å |
| 737 | I | 90 | Very high | 83.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 175.8 | -64.3 | 169.1 | 0 | 0 | 0 | 110.2 | T541 L592 L595 I596 L599 F639 I642 V733 L734 S739 I740 I741 | T541-I737 HydrophobicContact CG2-CG2 3.96Å; L592-I737 HydrophobicContact CD2-CD1 4.36Å; L595-I737 HydrophobicContact CD2-CD1 4.09Å; I596-I737 HydrophobicContact CD1-CD1 3.87Å; I596-I737 HydrophobicContact CD1-CG1 4.41Å; I596-I737 HydrophobicContact CG1-CD1 3.61Å; I596-I737 HydrophobicContact CG1-CG1 4.14Å; L599-I737 HydrophobicContact CD1-CG2 3.92Å; F639-I737 HydrophobicContact CE1-CG2 4.48Å; I642-I737 HydrophobicContact CD1-CG1 4.35Å; V733-I737 HydrophobicContact CG1-CD1 4.05Å; V733-I737 WeakPolarHBondContact O-CG1 3.39Å; V733-I737 PolarHBondContact O-N 3.35Å; L734-I737 PolarHBondContact O-N 3.2Å; I737-S739 VanDerWaalsContact C-N 3.29Å; I737-S739 PolarHBondContact O-N 3.09Å; I737-I740 PolarHBondContact O-N 3.49Å; I737-I741 HydrophobicContact CG2-CD1 3.69Å; I737-I741 WeakPolarHBondContact O-CG1 3.39Å; I737-I741 PolarHBondContact O-N 2.94Å; I737-I741 VanDerWaalsContact O-N 3.14Å |
| 738 | R | 89.3 | Confident | 85 | Confident | 80 Ų | 80 | 43.3 Ų | 43.3 | 30% | 0.302 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.5 | -38.9 | 178 | -79.1 | 177.8 | 171 | 169.4 | -4.8 | 112.3 | L734 K735 I741 N742 | L734-R738 WeakPolarHBondContact O-CB 3.45Å; L734-R738 WeakPolarHBondContact O-CG 3.29Å; L734-R738 PolarHBondContact O-N 3.31Å; K735-R738 PolarHBondContact O-N 2.95Å; R738-I741 PolarHBondContact O-N 2.68Å; R738-N742 VanDerWaalsContact O-CB 3.28Å; R738-N742 WeakPolarHBondContact O-CB 3.48Å; R738-N742 PolarHBondContact O-N 3.39Å; R738-N742 PolarHBondContact O-ND2 3.37Å |
| 739 | S | 89.6 | Confident | 85.3 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 36% | 0.357 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.1 | -50.9 | 176.4 | -168.1 | 0 | 0 | 0 | 0 | 111.7 | K735 L736 I737 I741 N742 E743 | K735-S739 PolarHBondContact O-N 2.94Å; L736-S739 PolarHBondContact O-N 3.05Å; I737-S739 VanDerWaalsContact C-N 3.29Å; I737-S739 PolarHBondContact O-N 3.09Å; S739-I741 VanDerWaalsContact C-N 3.32Å; S739-I741 PolarHBondContact O-N 3.46Å; S739-N742 PolarHBondContact O-N 2.87Å; S739-E743 WeakPolarHBondContact O-CB 3.35Å; S739-E743 VanDerWaalsContact O-CG 3.23Å; S739-E743 WeakPolarHBondContact O-CG 3.24Å; S739-E743 PolarHBondContact O-N 2.93Å; S739-E743 PolarHBondContact OG-OE1 3.08Å |
| 740 | I | 90.1 | Very high | 84.6 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | -179.5 | -63.9 | 165.2 | 0 | 0 | 0 | 110.9 | V635 R638 F639 I642 L736 I737 E743 L744 | V635-I740 HydrophobicContact CG1-CG2 4.27Å; R638-I740 HydrophobicContact CB-CD1 3.68Å; R638-I740 HydrophobicContact CB-CG1 4.35Å; F639-I740 HydrophobicContact CD1-CD1 3.85Å; F639-I740 HydrophobicContact CE1-CB 4.21Å; F639-I740 HydrophobicContact CE1-CD1 3.83Å; F639-I740 HydrophobicContact CE1-CG2 4Å; F639-I740 HydrophobicContact CZ-CB 4.47Å; F639-I740 HydrophobicContact CZ-CG2 3.85Å; I642-I740 HydrophobicContact CD1-CD1 3.55Å; L736-I740 PolarHBondContact O-N 3.14Å; I737-I740 PolarHBondContact O-N 3.49Å; I740-E743 PolarHBondContact O-N 3.41Å; I740-L744 HydrophobicContact CG2-CD1 4.2Å; I740-L744 WeakPolarHBondContact O-CG 3.46Å; I740-L744 PolarHBondContact O-N 3.5Å |
| 741 | I | 90.3 | Very high | 83.5 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.4 | -40.9 | -178.3 | -67.4 | 171.5 | 0 | 0 | 0 | 111.3 | I537 K538 T541 I737 R738 S739 L744 N745 | I537-I741 HydrophobicContact CD1-CG1 4.13Å; I537-I741 HydrophobicContact CG1-CG1 4.29Å; I537-I741 HydrophobicContact CG1-CG2 4.45Å; K538-I741 HydrophobicContact CB-CG2 3.9Å; K538-I741 HydrophobicContact CG-CG2 4.43Å; T541-I741 HydrophobicContact CG2-CD1 3.79Å; T541-I741 WeakPolarHBondContact OG1-CD1 2.91Å; I737-I741 HydrophobicContact CG2-CD1 3.69Å; I737-I741 WeakPolarHBondContact O-CG1 3.39Å; I737-I741 PolarHBondContact O-N 2.94Å; I737-I741 VanDerWaalsContact O-N 3.14Å; R738-I741 PolarHBondContact O-N 2.68Å; S739-I741 VanDerWaalsContact C-N 3.32Å; S739-I741 PolarHBondContact O-N 3.46Å; I741-L744 PolarHBondContact O-N 2.98Å; I741-N745 WeakPolarHBondContact CG2-ND2 3.44Å; I741-N745 WeakPolarHBondContact O-CB 3.43Å; I741-N745 PolarHBondContact O-N 3.26Å; I741-N745 PolarHBondContact O-ND2 2.83Å |
| 742 | N | 88.8 | Confident | 82.1 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.4 | -71.1 | -10.6 | 0 | 0 | 0 | 111.3 | R738 S739 L744 N745 A746 | R738-N742 VanDerWaalsContact O-CB 3.28Å; R738-N742 WeakPolarHBondContact O-CB 3.48Å; R738-N742 PolarHBondContact O-N 3.39Å; R738-N742 PolarHBondContact O-ND2 3.37Å; S739-N742 PolarHBondContact O-N 2.87Å; N742-L744 VanDerWaalsContact C-N 3.34Å; N742-L744 PolarHBondContact O-N 3.19Å; N742-N745 PolarHBondContact O-N 3.48Å; N742-A746 WeakPolarHBondContact O-CB 3.31Å; N742-A746 PolarHBondContact O-N 2.98Å |
| 743 | E | 88.9 | Confident | 80.5 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 173.8 | -71.4 | 168.4 | -128.9 | 0 | 0 | 112 | R638 S739 I740 A746 L747 | R638-E743 IonicContact CZ-OE1 3.74Å; R638-E743 IonicContact CZ-OE2 3.59Å; R638-E743 IonicContact NH1-OE1 3.53Å; R638-E743 IonicContact NH1-OE2 2.67Å; R638-E743 PolarHBondContact NH1-OE2 2.95Å; R638-E743 IonicContact NH2-OE1 2.96Å; R638-E743 PolarHBondContact NH2-OE1 3.49Å; R638-E743 IonicContact NH2-OE2 3.56Å; S739-E743 WeakPolarHBondContact O-CB 3.35Å; S739-E743 VanDerWaalsContact O-CG 3.23Å; S739-E743 WeakPolarHBondContact O-CG 3.24Å; S739-E743 PolarHBondContact O-N 2.93Å; S739-E743 PolarHBondContact OG-OE1 3.08Å; I740-E743 PolarHBondContact O-N 3.41Å; E743-A746 PolarHBondContact O-N 3.49Å; E743-L747 PolarHBondContact O-N 3.19Å |
| 744 | L | 87.7 | Confident | 78.7 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.4 | -44.9 | 176.2 | -78.7 | 170.3 | 0 | 0 | 0 | 112.6 | F530 Y533 I537 I631 V635 I740 I741 N742 A746 L747 | F530-L744 HydrophobicContact CZ-CD2 4.25Å; Y533-L744 HydrophobicContact CE1-CD1 4.48Å; I537-L744 HydrophobicContact CD1-CD1 3.45Å; I537-L744 VanDerWaalsContact CD1-CD1 3.45Å; I631-L744 HydrophobicContact CG2-CD2 4Å; V635-L744 HydrophobicContact CG1-CD1 4Å; V635-L744 HydrophobicContact CG2-CD1 3.72Å; V635-L744 HydrophobicContact CG2-CD2 3.75Å; V635-L744 HydrophobicContact CG2-CG 4.11Å; I740-L744 HydrophobicContact CG2-CD1 4.2Å; I740-L744 WeakPolarHBondContact O-CG 3.46Å; I740-L744 PolarHBondContact O-N 3.5Å; I741-L744 PolarHBondContact O-N 2.98Å; N742-L744 VanDerWaalsContact C-N 3.34Å; N742-L744 PolarHBondContact O-N 3.19Å; L744-A746 VanDerWaalsContact C-N 3.29Å; L744-A746 PolarHBondContact O-N 3.37Å; L744-L747 WeakPolarHBondContact O-CB 3.48Å; L744-L747 PolarHBondContact O-N 3.01Å |
| 745 | N | 85.9 | Confident | 76.7 | Confident | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.15 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.3 | -36.3 | 176.6 | -73.4 | -47.5 | 0 | 0 | 0 | 111.5 | S534 I741 N742 L747 F748 T749 | S534-N745 WeakPolarHBondContact CB-OD1 3.22Å; S534-N745 PolarHBondContact O-OD1 3.05Å; S534-N745 PolarHBondContact OG-N 3.34Å; S534-N745 PolarHBondContact OG-OD1 3Å; I741-N745 WeakPolarHBondContact CG2-ND2 3.44Å; I741-N745 WeakPolarHBondContact O-CB 3.43Å; I741-N745 PolarHBondContact O-N 3.26Å; I741-N745 PolarHBondContact O-ND2 2.83Å; N742-N745 PolarHBondContact O-N 3.48Å; N745-L747 PolarHBondContact O-N 3.45Å; N745-F748 PolarHBondContact O-N 3.16Å; N745-T749 PolarHBondContact O-N 3.28Å |
| 746 | A | 85 | Confident | 75 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -22.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N742 E743 L744 F748 T749 | N742-A746 WeakPolarHBondContact O-CB 3.31Å; N742-A746 PolarHBondContact O-N 2.98Å; E743-A746 PolarHBondContact O-N 3.49Å; L744-A746 VanDerWaalsContact C-N 3.29Å; L744-A746 PolarHBondContact O-N 3.37Å; A746-F748 PolarHBondContact O-N 3.25Å; A746-T749 VanDerWaalsContact CA-OG1 3.29Å; A746-T749 WeakPolarHBondContact CA-OG1 3.35Å; A746-T749 PolarHBondContact O-N 3.21Å; A746-T749 PolarHBondContact O-OG1 3.22Å |
| 747 | L | 82.3 | Confident | 73.2 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -28 | 173.1 | -173.5 | 64.5 | 0 | 0 | 0 | 112.5 | F530 I631 E743 L744 N745 | F530-L747 HydrophobicContact CE1-CD2 3.69Å; F530-L747 HydrophobicContact CZ-CD2 4.19Å; I631-L747 HydrophobicContact CD1-CD2 4.32Å; E743-L747 PolarHBondContact O-N 3.19Å; L744-L747 WeakPolarHBondContact O-CB 3.48Å; L744-L747 PolarHBondContact O-N 3.01Å; N745-L747 PolarHBondContact O-N 3.45Å |
| 748 | F | 82.3 | Confident | 71.7 | Confident | 57 Ų | 57 | 81 Ų | 81 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 0.3 | -178 | -50.7 | -66.7 | 0 | 0 | 0 | 112.9 | F527 F530 K531 N745 A746 | F527-F748 HydrophobicContact CZ-CE1 4.41Å; F530-F748 HydrophobicContact CD1-CE1 4.13Å; F530-F748 AromaticContact CD1-CZ 3.49Å; F530-F748 HydrophobicContact CD1-CZ 3.49Å; F530-F748 VanDerWaalsContact CD1-CZ 3.49Å; F530-F748 HydrophobicContact CE1-CE1 4.28Å; F530-F748 HydrophobicContact CE1-CE2 4.34Å; F530-F748 AromaticContact CE1-CZ 3.51Å; F530-F748 HydrophobicContact CE1-CZ 3.51Å; F530-F748 HydrophobicContact CG-CZ 4.18Å; F530-F748 HydrophobicContact CZ-CZ 4.2Å; K531-F748 HydrophobicContact CD-CD1 4.44Å; K531-F748 HydrophobicContact CG-CD1 3.74Å; K531-F748 HydrophobicContact CG-CE1 3.63Å; K531-F748 HydrophobicContact CG-CG 4.26Å; K531-F748 HydrophobicContact CG-CZ 4.08Å; N745-F748 PolarHBondContact O-N 3.16Å; A746-F748 PolarHBondContact O-N 3.25Å |
| 749 | T | 70.4 | Confident | 70.2 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 64% | 0.638 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -83.4 | 116.8 | 173.1 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | N745 A746 | N745-T749 PolarHBondContact O-N 3.28Å; A746-T749 VanDerWaalsContact CA-OG1 3.29Å; A746-T749 WeakPolarHBondContact CA-OG1 3.35Å; A746-T749 PolarHBondContact O-N 3.21Å; A746-T749 PolarHBondContact O-OG1 3.22Å |
| 750 | G | 60.7 | Low | 68.5 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 67% | 0.67 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 105.7 | 150.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I752 | G750-I752 PolarHBondContact O-N 3.17Š|
| 751 | E | 56.8 | Low | 67 | Low | 186 Ų | 186 | 86.4 Ų | 86.4 | 87% | 0.869 | 48% | 0.483 | S | S | * | . | trans | -70.6 | 122.7 | 173.7 | -69.5 | -176.6 | 170 | 0 | 0 | 109.9 | I753 | E751-I753 PolarHBondContact O-N 3.06Š| ||
| 752 | I | 52.1 | Low | 65.7 | Low | 150 Ų | 150 | 94.8 Ų | 94.8 | 77% | 0.769 | 52% | 0.52 | S | S | * | . | trans | -71.7 | 98.9 | 172.5 | -57.2 | 174.3 | 0 | 0 | 0 | 107.7 | G750 P754 | G750-I752 PolarHBondContact O-N 3.17Å; I752-P754 WeakPolarHBondContact O-CD 3.42Å | ||
| 753 | I | 50.1 | Low | 64.3 | Low | 135 Ų | 135 | 94.9 Ų | 94.9 | 69% | 0.692 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -72.9 | 118.7 | 174.9 | -56.3 | 171.3 | 0 | 0 | 0 | 107.8 | E751 V755 | E751-I753 PolarHBondContact O-N 3.06Å; I753-V755 PolarHBondContact O-N 3.49Å; I753-V755 VanDerWaalsContact O-N 3.17Å |
| 754 | P | 49.2 | Very low | 62.7 | Low | 86 Ų | 86 | 95.6 Ų | 95.6 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 125.1 | 173.4 | 24.1 | -31.5 | 0 | 0 | 0 | 108.7 | I752 A756 | I752-P754 WeakPolarHBondContact O-CD 3.42Å; P754-A756 PolarHBondContact O-N 3.4Å; P754-A756 VanDerWaalsContact O-N 3.11Å |
| 755 | V | 45.3 | Very low | 61.2 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 53% | 0.527 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -55 | 122 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | I753 A759 Q760 | I753-V755 PolarHBondContact O-N 3.49Å; I753-V755 VanDerWaalsContact O-N 3.17Å; V755-A759 HydrophobicContact CG1-CB 3.58Å; V755-Q760 HydrophobicContact CB-CG 3.85Å; V755-Q760 HydrophobicContact CG1-CG 3.66Å; V755-Q760 WeakPolarHBondContact O-CG 3.03Å; V755-Q760 PolarHBondContact O-NE2 3.24Å |
| 756 | A | 50.4 | Low | 59.6 | Low | 56 Ų | 56 | 103.5 Ų | 103.5 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 144.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | P754 K758 A759 Q760 | P754-A756 PolarHBondContact O-N 3.4Å; P754-A756 VanDerWaalsContact O-N 3.11Å; A756-K758 PolarHBondContact O-N 2.91Å; A756-A759 WeakPolarHBondContact O-CA 3.45Å; A756-A759 WeakPolarHBondContact O-CB 3.4Å; A756-A759 PolarHBondContact O-N 3.18Å; A756-Q760 PolarHBondContact O-N 2.84Å |
| 757 | P | 51.9 | Low | 58 | Low | 83 Ų | 83 | 110.5 Ų | 110.5 | 54% | 0.539 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -54 | -30.8 | -179.4 | -26.9 | 32.9 | 0 | 0 | 0 | 113.4 | K761 | P757-K761 WeakPolarHBondContact O-CB 3.44Å; P757-K761 VanDerWaalsContact O-CG 3.23Å; P757-K761 WeakPolarHBondContact O-CG 3.34Å; P757-K761 PolarHBondContact O-N 3.11Å |
| 758 | K | 59.5 | Low | 57.1 | Low | 177 Ų | 177 | 110.3 Ų | 110.3 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.5 | -38.4 | 173.9 | -76.9 | -175.6 | 177.4 | 178.4 | 0 | 113.1 | A756 | A756-K758 PolarHBondContact O-N 2.91Å |
| 759 | A | 57.7 | Low | 55.7 | Low | 49 Ų | 49 | 112.6 Ų | 112.6 | 41% | 0.405 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -75.3 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V755 A756 K761 K762 | V755-A759 HydrophobicContact CG1-CB 3.58Å; A756-A759 WeakPolarHBondContact O-CA 3.45Å; A756-A759 WeakPolarHBondContact O-CB 3.4Å; A756-A759 PolarHBondContact O-N 3.18Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.24Å; A759-K762 PolarHBondContact O-N 2.64Å; A759-K762 VanDerWaalsContact O-N 3.17Å |
| 760 | Q | 53.6 | Low | 55.1 | Low | 57 Ų | 57 | 112.5 Ų | 112.5 | 27% | 0.266 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -62 | -40.6 | 173.3 | -61.8 | -176.2 | 3.4 | 0 | 0 | 112.2 | V755 A756 K762 V763 L856 | V755-Q760 HydrophobicContact CB-CG 3.85Å; V755-Q760 HydrophobicContact CG1-CG 3.66Å; V755-Q760 WeakPolarHBondContact O-CG 3.03Å; V755-Q760 PolarHBondContact O-NE2 3.24Å; A756-Q760 PolarHBondContact O-N 2.84Å; Q760-K762 PolarHBondContact O-N 3.44Å; Q760-V763 WeakPolarHBondContact O-CB 3.26Å; Q760-V763 WeakPolarHBondContact O-CG2 3.27Å; Q760-V763 PolarHBondContact O-N 2.89Å; Q760-L856 HydrophobicContact CB-CD2 4.18Å |
| 761 | K | 58.3 | Low | 54.7 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 61% | 0.609 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -23.1 | 175.5 | -82.7 | 178.3 | -179.3 | -173.7 | 0 | 114.4 | P757 A759 V763 L856 | P757-K761 WeakPolarHBondContact O-CB 3.44Å; P757-K761 VanDerWaalsContact O-CG 3.23Å; P757-K761 WeakPolarHBondContact O-CG 3.34Å; P757-K761 PolarHBondContact O-N 3.11Å; A759-K761 VanDerWaalsContact C-N 3.35Å; A759-K761 PolarHBondContact O-N 3.24Å; K761-V763 VanDerWaalsContact C-N 3.27Å; K761-L856 HydrophobicContact CG-CD2 4.17Å |
| 762 | K | 63.4 | Low | 54.3 | Low | 182 Ų | 182 | 112.1 Ų | 112.1 | 79% | 0.791 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -6.1 | 177.6 | -74.4 | -177.2 | 177.5 | -174.9 | 0 | 112.8 | A759 Q760 P764 | A759-K762 PolarHBondContact O-N 2.64Å; A759-K762 VanDerWaalsContact O-N 3.17Å; Q760-K762 PolarHBondContact O-N 3.44Å; K762-P764 WeakPolarHBondContact O-CD 3.22Å |
| 763 | V | 59 | Low | 54.4 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 62% | 0.624 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -73.7 | 110.7 | 172.3 | -176.9 | 0 | 0 | 0 | 0 | 107.3 | Q760 K761 I765 | Q760-V763 WeakPolarHBondContact O-CB 3.26Å; Q760-V763 WeakPolarHBondContact O-CG2 3.27Å; Q760-V763 PolarHBondContact O-N 2.89Å; K761-V763 VanDerWaalsContact C-N 3.27Å; V763-I765 PolarHBondContact O-N 3.3Å |
| 764 | P | 55.4 | Low | 54.2 | Low | 108 Ų | 108 | 110.1 Ų | 110.1 | 70% | 0.701 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 135.7 | -179.9 | 25.3 | -32.3 | 0 | 0 | 0 | 109.7 | K762 P766 | K762-P764 WeakPolarHBondContact O-CD 3.22Å; P764-P766 WeakPolarHBondContact O-CD 3.38Å |
| 765 | I | 55.8 | Low | 54.1 | Low | 118 Ų | 118 | 113.1 Ų | 113.1 | 61% | 0.605 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 124.1 | 169.5 | -56.3 | 170.2 | 0 | 0 | 0 | 106.4 | V763 E767 L769 | V763-I765 PolarHBondContact O-N 3.3Å; I765-E767 PolarHBondContact O-N 3.38Å; I765-L769 HydrophobicContact CG2-CB 4.3Å; I765-L769 HydrophobicContact CG2-CD2 4.3Å |
| 766 | P | 53.5 | Low | 53.9 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 134.5 | 177 | -24.3 | 33.8 | 0 | 0 | 0 | 111.1 | P764 G768 L769 | P764-P766 WeakPolarHBondContact O-CD 3.38Å; P766-G768 PolarHBondContact O-N 3.2Å; P766-L769 WeakPolarHBondContact O-CB 3.45Å; P766-L769 PolarHBondContact O-N 3.24Å |
| 767 | E | 50.8 | Low | 53.7 | Low | 200 Ų | 200 | 114.5 Ų | 114.5 | 94% | 0.935 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | 133.2 | 176.5 | -68.5 | -177.3 | 172.7 | 0 | 0 | 110.7 | I765 | I765-E767 PolarHBondContact O-N 3.38Š|
| 768 | G | 62.1 | Low | 53 | Low | 85 Ų | 85 | 115.2 Ų | 115.2 | 88% | 0.876 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.5 | 4.1 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | P766 D770 | P766-G768 PolarHBondContact O-N 3.2Å; G768-D770 PolarHBondContact O-N 3.31Å |
| 769 | L | 54.1 | Low | 52 | Low | 105 Ų | 105 | 111 Ų | 111 | 55% | 0.55 | 62% | 0.623 | S | S | . | * | trans | -80.2 | 101.7 | 172.6 | -163 | 78.8 | 0 | 0 | 0 | 110.5 | I765 P766 L771 | I765-L769 HydrophobicContact CG2-CB 4.3Å; I765-L769 HydrophobicContact CG2-CD2 4.3Å; P766-L769 WeakPolarHBondContact O-CB 3.45Å; P766-L769 PolarHBondContact O-N 3.24Å; L769-L771 HydrophobicContact CD2-CD2 4.29Å; L769-L771 PolarHBondContact O-N 2.86Å | ||
| 770 | D | 58.1 | Low | 51 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | trans | -75.9 | 115.7 | 171.6 | -176.9 | 0.8 | 0 | 0 | 0 | 110 | G768 D772 A773 | G768-D770 PolarHBondContact O-N 3.31Å; D770-D772 VanDerWaalsContact C-N 3.29Å; D770-D772 PolarHBondContact OD1-N 3.13Å; D770-A773 HydrophobicContact CB-CB 3.95Å | ||
| 771 | L | 52 | Low | 49.9 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 69% | 0.686 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -76.2 | -16.2 | -178.3 | -63.5 | 173.3 | 0 | 0 | 0 | 112.9 | L769 | L769-L771 HydrophobicContact CD2-CD2 4.29Å; L769-L771 PolarHBondContact O-N 2.86Å |
| 772 | D | 49.1 | Very low | 48.5 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 60% | 0.604 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -96.5 | -17.9 | 179.2 | -80 | -50.6 | 0 | 0 | 0 | 113.2 | D770 R842 | D770-D772 VanDerWaalsContact C-N 3.29Å; D770-D772 PolarHBondContact OD1-N 3.13Å; D772-R842 IonicContact OD1-CZ 2.73Å; D772-R842 IonicContact OD1-NH1 3.94Å; D772-R842 IonicContact OD1-NH2 2.74Å; D772-R842 PolarHBondContact OD1-NH2 2.69Å |
| 773 | A | 52.7 | Low | 46.8 | Very low | 48 Ų | 48 | 123.1 Ų | 123.1 | 40% | 0.397 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -66.8 | 139.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | D770 I775 | D770-A773 HydrophobicContact CB-CB 3.95Å; A773-I775 PolarHBondContact O-N 3.3Å |
| 774 | W | 47.2 | Very low | 45.3 | Very low | 194 Ų | 194 | 127 Ų | 127 | 74% | 0.735 | 69% | 0.688 | S | S | * | * | trans | -57.6 | 119.2 | 169.1 | -75.8 | 65.5 | 0 | 0 | 0 | 108.4 | N776 | W774-N776 VanDerWaalsContact CE3-O 3.25Å; W774-N776 PolarHBondContact O-N 3.19Å; W774-N776 VanDerWaalsContact O-N 3.11Å | ||
| 775 | I | 46.2 | Very low | 43.8 | Very low | 150 Ų | 150 | 129.5 Ų | 129.5 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -54.8 | -32 | 172.1 | -62.8 | 174.3 | 0 | 0 | 0 | 109.6 | A773 | A773-I775 PolarHBondContact O-N 3.3Š|
| 776 | N | 41.2 | Very low | 42.3 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 36% | 0.364 | 71% | 0.711 | S | S | . | * | S | Bend | trans | -131.8 | 113.8 | 169.2 | -63.3 | -55.1 | 0 | 0 | 0 | 111.8 | W774 D912 | W774-N776 VanDerWaalsContact CE3-O 3.25Å; W774-N776 PolarHBondContact O-N 3.19Å; W774-N776 VanDerWaalsContact O-N 3.11Å; N776-D912 PolarHBondContact ND2-OD1 2.81Å; N776-D912 PolarHBondContact ND2-OD2 2.98Å |
| 777 | P | 45.6 | Very low | 41.1 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142.5 | 170.5 | 25.8 | -31.5 | 0 | 0 | 0 | 110.9 | ||
| 778 | P | 37.6 | Very low | 40 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.8 | 173.3 | 23.6 | -31.4 | 0 | 0 | 0 | 110.6 | ||
| 779 | A | 38.6 | Very low | 38.4 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I781 | A779-I781 PolarHBondContact O-N 2.99Š|
| 780 | P | 36.2 | Very low | 37.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130.3 | -178.3 | 23.4 | -30.8 | 0 | 0 | 0 | 112.2 | R782 | P780-R782 PolarHBondContact O-N 3.47Å; P780-R782 VanDerWaalsContact O-N 3.07Å |
| 781 | I | 31.7 | Very low | 35.9 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | -65.3 | 104.3 | 174 | -58.3 | 167.3 | 0 | 0 | 0 | 108.3 | A779 K783 | A779-I781 PolarHBondContact O-N 2.99Å; I781-K783 HydrophobicContact CG2-CG 4.3Å; I781-K783 PolarHBondContact O-N 3.08Å | ||
| 782 | R | 27.6 | Very low | 34.8 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -71.3 | 92.9 | 176.4 | -83.2 | -172.4 | -96.2 | -161.7 | -2.6 | 110.7 | P780 Q784 | P780-R782 PolarHBondContact O-N 3.47Å; P780-R782 VanDerWaalsContact O-N 3.07Å; R782-Q784 VanDerWaalsContact C-N 3.29Å; R782-Q784 PolarHBondContact O-N 2.95Å; R782-Q784 VanDerWaalsContact O-N 3.16Å | ||
| 783 | K | 29.2 | Very low | 33.7 | Very low | 187 Ų | 187 | 145.3 Ų | 145.3 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | trans | -80 | 57 | 171.5 | -71 | -176.9 | 174.1 | 178.5 | 0 | 112.4 | I781 | I781-K783 HydrophobicContact CG2-CG 4.3Å; I781-K783 PolarHBondContact O-N 3.08Å | ||
| 784 | Q | 27 | Very low | 32.5 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -153.5 | 83 | 173.6 | -73.2 | -169 | -19.6 | 0 | 0 | 111.8 | R782 | R782-Q784 VanDerWaalsContact C-N 3.29Å; R782-Q784 PolarHBondContact O-N 2.95Å; R782-Q784 VanDerWaalsContact O-N 3.16Å | ||
| 785 | L | 24.8 | Very low | 31.5 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -164.6 | 47.5 | 154.5 | -154.4 | 72.5 | 0 | 0 | 0 | 112.1 | ||||
| 786 | W | 24.4 | Very low | 30.6 | Very low | 252 Ų | 252 | 144.2 Ų | 144.2 | 96% | 0.955 | 76% | 0.759 | S | S | * | * | trans | -124.2 | 38.6 | -177.8 | -76.2 | 44.3 | 0 | 0 | 0 | 112 | ||||
| 787 | T | 27.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -125.3 | -2.6 | -178.8 | 51.5 | 0 | 0 | 0 | 0 | 116.3 | ||
| 788 | N | 28.4 | Very low | 29.1 | Very low | 144 Ų | 144 | 150 Ų | 150 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -113.3 | 6.7 | -175.9 | -67.8 | 5.3 | 0 | 0 | 0 | 115.3 | ||
| 789 | T | 28.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -97.2 | -12 | 177.4 | -42.5 | 0 | 0 | 0 | 0 | 112.6 | D791 | T789-D791 PolarHBondContact O-N 3.28Š|
| 790 | L | 29.5 | Very low | 28.1 | Very low | 159 Ų | 159 | 152.7 Ų | 152.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -20.1 | -176.4 | -137.6 | 84.7 | 0 | 0 | 0 | 114 | ||
| 791 | D | 30.4 | Very low | 27.5 | Very low | 157 Ų | 157 | 153.7 Ų | 153.7 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -10.4 | -179.3 | -80.8 | -11.8 | 0 | 0 | 0 | 114.1 | T789 | T789-D791 PolarHBondContact O-N 3.28Š|
| 792 | F | 28 | Very low | 27.5 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -87.5 | -16.2 | -176.7 | -161.3 | -100.6 | 0 | 0 | 0 | 114 | ||
| 793 | I | 26.8 | Very low | 27.3 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -100.5 | -9.1 | -174.2 | -56.9 | 179.2 | 0 | 0 | 0 | 112.3 | K795 | I793-K795 PolarHBondContact O-N 3.03Š|
| 794 | G | 26.3 | Very low | 27.3 | Very low | 70 Ų | 70 | 151 Ų | 151 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -79 | -5.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | S796 | G794-S796 PolarHBondContact O-N 2.95Š|
| 795 | K | 27.7 | Very low | 27.1 | Very low | 208 Ų | 208 | 146.6 Ų | 146.6 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -99.1 | 72.3 | 174.5 | -99.6 | -178.2 | 175.4 | 178.1 | 0 | 110.7 | I793 | I793-K795 PolarHBondContact O-N 3.03Š| ||
| 796 | S | 26 | Very low | 27.1 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -87.5 | 131.3 | 159.2 | -119.5 | 0 | 0 | 0 | 0 | 108.9 | G794 | G794-S796 PolarHBondContact O-N 2.95Š| ||
| 797 | I | 26.7 | Very low | 27 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | 70.7 | 97.1 | 139.7 | -52.9 | 158.8 | 0 | 0 | 0 | 115.4 | ||||
| 798 | N | 28.7 | Very low | 26.8 | Very low | 146 Ų | 146 | 146.7 Ų | 146.7 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | trans | -149.7 | 132.3 | 143.4 | -93.3 | -9.2 | 0 | 0 | 0 | 108.8 | ||||
| 799 | D | 29.1 | Very low | 26.6 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 83.9 | 83.7 | 153 | -51.8 | -22.9 | 0 | 0 | 0 | 120.1 | ||||
| 800 | T | 25.4 | Very low | 26.4 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 68% | 0.681 | 76% | 0.755 | S | S | * | * | 48.4 | 128.6 | 112.6 | 52.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 801 | D | 25.3 | Very low | 26.1 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 74.9 | 106.3 | 137 | -55.4 | -17.7 | 0 | 0 | 0 | 119.8 | ||||
| 802 | D | 29.9 | Very low | 25.8 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | -168.7 | 144.6 | 114.3 | -98.3 | -31.6 | 0 | 0 | 0 | 113.8 | |||||
| 803 | H | 24.6 | Very low | 25.7 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | -53 | 140.4 | -171.2 | -63 | -88.7 | 0 | 0 | 0 | 116.3 | ||||
| 804 | H | 29.1 | Very low | 25.5 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | -176.4 | 141.7 | 120.5 | -92.9 | -62.4 | 0 | 0 | 0 | 112.5 | |||||
| 805 | S | 23.2 | Very low | 25.4 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | -77.3 | 170.2 | -169.9 | 50.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 806 | I | 24.5 | Very low | 25.3 | Very low | 143 Ų | 143 | 143.3 Ų | 143.3 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 101.2 | 88 | 158.5 | -52.1 | 159.1 | 0 | 0 | 0 | 112.6 | ||||
| 807 | H | 22.9 | Very low | 25.1 | Very low | 136 Ų | 136 | 144.6 Ų | 144.6 | 63% | 0.63 | 76% | 0.756 | S | S | * | * | 66.8 | 85.8 | 71.5 | -153.1 | 63.1 | 0 | 0 | 0 | 114.1 | N809 | H807-N809 PolarHBondContact CE1-ND2 3.09Å; H807-N809 PolarHBondContact CE1-OD1 3.28Å | |||
| 808 | W | 21.9 | Very low | 25.1 | Very low | 254 Ų | 254 | 144.9 Ų | 144.9 | 96% | 0.962 | 76% | 0.759 | S | S | * | * | trans | -116.9 | 102.2 | 146.1 | -76.1 | 86.5 | 0 | 0 | 0 | 106.8 | ||||
| 809 | N | 24.1 | Very low | 25 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | -87.4 | 150.4 | 168.4 | -101.3 | 14.4 | 0 | 0 | 0 | 109.9 | H807 | H807-N809 PolarHBondContact CE1-ND2 3.09Å; H807-N809 PolarHBondContact CE1-OD1 3.28Å | ||
| 810 | N | 24.6 | Very low | 24.9 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | 122.4 | 97.2 | 154.7 | -75.7 | 12.5 | 0 | 0 | 0 | 112.5 | ||||
| 811 | E | 23.3 | Very low | 24.8 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | 93.9 | 91.1 | 90.5 | -84 | 178.2 | 167.3 | 0 | 0 | 110.6 | V813 | E811-V813 PolarHBondContact O-N 3.48Š| |||
| 812 | S | 23.1 | Very low | 24.8 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | 6.9 | 99.7 | 138.8 | 54.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 813 | V | 25.6 | Very low | 24.6 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -109.2 | 106.1 | 149.1 | 178 | 0 | 0 | 0 | 0 | 106.7 | E811 N815 | E811-V813 PolarHBondContact O-N 3.48Å; V813-N815 PolarHBondContact O-N 3.4Å; V813-N815 VanDerWaalsContact O-N 3.08Å | ||
| 814 | N | 23.7 | Very low | 24.6 | Very low | 149 Ų | 149 | 150.4 Ų | 150.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -58 | 104.1 | 170.7 | -73.3 | -24.7 | 0 | 0 | 0 | 109.2 | ||||
| 815 | N | 24.8 | Very low | 24.6 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -116 | 97.6 | 159.9 | -95.7 | -13 | 0 | 0 | 0 | 108 | V813 C817 | V813-N815 PolarHBondContact O-N 3.4Å; V813-N815 VanDerWaalsContact O-N 3.08Å; N815-C817 PolarHBondContact O-N 3.32Å; N815-C817 VanDerWaalsContact O-N 3.13Å | ||
| 816 | E | 24.1 | Very low | 24.8 | Very low | 186 Ų | 186 | 151 Ų | 151 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -59.6 | 99.2 | 169.4 | -65.4 | 173.2 | 144.3 | 0 | 0 | 110.1 | ||||
| 817 | C | 23.4 | Very low | 24.9 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -152.4 | 15.4 | 160.9 | -98 | 0 | 0 | 0 | 0 | 114.4 | N815 | N815-C817 PolarHBondContact O-N 3.32Å; N815-C817 VanDerWaalsContact O-N 3.13Å | ||
| 818 | D | 25.3 | Very low | 25 | Very low | 151 Ų | 151 | 151.7 Ų | 151.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -104.8 | 39.7 | -173 | -70.8 | -20.9 | 0 | 0 | 0 | 114.4 | F820 | D818-F820 PolarHBondContact O-N 3.12Š| ||
| 819 | I | 27.7 | Very low | 25.2 | Very low | 156 Ų | 156 | 148 Ų | 148 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 6 | -179.8 | -58.3 | 176.9 | 0 | 0 | 0 | 112.8 | ||
| 820 | F | 25.6 | Very low | 25.3 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 19.4 | -176.9 | -89.1 | -80.1 | 0 | 0 | 0 | 116.4 | D818 | D818-F820 PolarHBondContact O-N 3.12Š|
| 821 | F | 25.2 | Very low | 25.8 | Very low | 223 Ų | 223 | 147.6 Ų | 147.6 | 98% | 0.978 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -113.2 | 71.7 | 162.5 | -103.1 | -90.7 | 0 | 0 | 0 | 110.9 | ||
| 822 | G | 24.8 | Very low | 26.5 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 6.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q824 | G822-Q824 VanDerWaalsContact C-N 3.26Å; G822-Q824 PolarHBondContact O-N 2.9Å | ||
| 823 | L | 24.5 | Very low | 27.2 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | trans | -93.4 | 63.7 | 171.4 | -72.9 | 167.1 | 0 | 0 | 0 | 109.6 | D825 | L823-D825 PolarHBondContact O-N 3.41Š| ||
| 824 | Q | 25.8 | Very low | 28.4 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 110.9 | 154.1 | -116.3 | 173.5 | -11.2 | 0 | 0 | 107 | G822 N826 | G822-Q824 VanDerWaalsContact C-N 3.26Å; G822-Q824 PolarHBondContact O-N 2.9Å; Q824-N826 PolarHBondContact O-N 3.38Å | ||
| 825 | D | 28.1 | Very low | 30.1 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 37.5 | 57.8 | 149.4 | -59.4 | -29.1 | 0 | 0 | 0 | 116.4 | L823 K827 | L823-D825 PolarHBondContact O-N 3.41Å; D825-K827 PolarHBondContact O-N 3.37Å | ||
| 826 | N | 27.6 | Very low | 31.7 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -67.3 | 97.5 | 145.4 | -101.5 | -16.2 | 0 | 0 | 0 | 106 | Q824 S828 | Q824-N826 PolarHBondContact O-N 3.38Å; N826-S828 PolarHBondContact O-N 2.89Å; N826-S828 VanDerWaalsContact O-N 3.1Å | ||
| 827 | K | 27.2 | Very low | 33.1 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -8.2 | 110.3 | 156.1 | -67.7 | 171.5 | 180 | 172.6 | 0 | 109.1 | D825 Q829 | D825-K827 PolarHBondContact O-N 3.37Å; K827-Q829 PolarHBondContact O-N 3.34Å | ||
| 828 | S | 25.6 | Very low | 34.1 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | trans | -46 | 102.3 | 155.1 | -65 | 0 | 0 | 0 | 0 | 105.2 | N826 T830 | N826-S828 PolarHBondContact O-N 2.89Å; N826-S828 VanDerWaalsContact O-N 3.1Å; S828-T830 PolarHBondContact O-N 3.43Å | ||
| 829 | Q | 24.8 | Very low | 35.8 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 70% | 0.699 | S | S | * | * | trans | -65.6 | 86.8 | 168.6 | -91 | 178.3 | -30.3 | 0 | 0 | 103 | K827 V831 | K827-Q829 PolarHBondContact O-N 3.34Å; Q829-V831 PolarHBondContact O-N 3.42Å | ||
| 830 | T | 27.2 | Very low | 37.3 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -50.8 | 101.8 | 148.6 | 44.6 | 0 | 0 | 0 | 0 | 103.3 | S828 Q832 | S828-T830 PolarHBondContact O-N 3.43Å; T830-Q832 VanDerWaalsContact C-N 3.27Å; T830-Q832 PolarHBondContact O-N 2.89Å | ||
| 831 | V | 35.3 | Very low | 38.4 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 64% | 0.642 | 67% | 0.671 | S | S | * | * | trans | -55.4 | 100.8 | 178.8 | 175.9 | 0 | 0 | 0 | 0 | 105.5 | Q829 L833 | Q829-V831 PolarHBondContact O-N 3.42Å; V831-L833 VanDerWaalsContact C-N 3.27Å; V831-L833 PolarHBondContact O-N 3.02Å | ||
| 832 | Q | 36.3 | Very low | 39.5 | Very low | 182 Ų | 182 | 121.2 Ų | 121.2 | 85% | 0.85 | 65% | 0.648 | S | S | * | * | trans | -68.9 | 99.8 | 167.7 | -101.5 | 177.8 | -17.1 | 0 | 0 | 104.2 | T830 T834 | T830-Q832 VanDerWaalsContact C-N 3.27Å; T830-Q832 PolarHBondContact O-N 2.89Å; Q832-T834 PolarHBondContact O-N 3.48Å; Q832-T834 VanDerWaalsContact O-N 3.15Å | ||
| 833 | L | 39.1 | Very low | 41.3 | Very low | 77 Ų | 77 | 121.5 Ų | 121.5 | 40% | 0.403 | 64% | 0.639 | S | S | . | * | trans | -56.3 | 121.3 | 172.8 | -66.8 | 150.7 | 0 | 0 | 0 | 106.7 | V831 Q837 S838 M841 | V831-L833 VanDerWaalsContact C-N 3.27Å; V831-L833 PolarHBondContact O-N 3.02Å; L833-Q837 HydrophobicContact CB-CB 4Å; L833-Q837 HydrophobicContact CD2-CB 3.68Å; L833-Q837 HydrophobicContact CG-CB 4.48Å; L833-S838 WeakPolarHBondContact CB-OG 3.31Å; L833-M841 HydrophobicContact CD1-CE 3.32Å; L833-M841 HydrophobicContact CD2-CE 3.48Å; L833-M841 VanDerWaalsContact CD2-CE 3.48Å; L833-M841 HydrophobicContact CG-CE 4.03Å | ||
| 834 | T | 51 | Low | 43.1 | Very low | 84 Ų | 84 | 119.6 Ų | 119.6 | 52% | 0.515 | 63% | 0.625 | S | S | . | * | trans | -54.5 | 155.7 | 167.9 | 7 | 0 | 0 | 0 | 0 | 108.9 | Q832 E836 Q837 S838 | Q832-T834 PolarHBondContact O-N 3.48Å; Q832-T834 VanDerWaalsContact O-N 3.15Å; T834-E836 PolarHBondContact O-N 2.86Å; T834-E836 VanDerWaalsContact O-N 3.12Å; T834-Q837 PolarHBondContact O-N 3.25Å; T834-Q837 PolarHBondContact OG1-OE1 3.45Å; T834-S838 PolarHBondContact O-N 3.48Å; T834-S838 PolarHBondContact O-OG 3.37Å | ||
| 835 | A | 58.5 | Low | 44.2 | Very low | 75 Ų | 75 | 119 Ų | 119 | 62% | 0.62 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -49.7 | -40 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S838 D839 | A835-S838 PolarHBondContact O-N 2.85Å; A835-D839 WeakPolarHBondContact O-CB 3.25Å; A835-D839 VanDerWaalsContact O-CG 3.31Å; A835-D839 PolarHBondContact O-N 3.38Å |
| 836 | E | 59.1 | Low | 45.8 | Very low | 160 Ų | 160 | 116.1 Ų | 116.1 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -59.8 | -45.1 | 172.8 | -78.8 | -176.3 | 147.7 | 0 | 0 | 114.3 | T834 S838 D839 E840 | T834-E836 PolarHBondContact O-N 2.86Å; T834-E836 VanDerWaalsContact O-N 3.12Å; E836-S838 VanDerWaalsContact C-N 3.3Å; E836-S838 PolarHBondContact O-N 3.03Å; E836-D839 PolarHBondContact O-N 3.38Å; E836-E840 WeakPolarHBondContact O-CB 3.43Å; E836-E840 PolarHBondContact O-N 3.34Å |
| 837 | Q | 53.2 | Low | 47.4 | Very low | 82 Ų | 82 | 114.3 Ų | 114.3 | 38% | 0.383 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -33.2 | 179.2 | -69.3 | -178.7 | -33.8 | 0 | 0 | 111.7 | L833 T834 M841 | L833-Q837 HydrophobicContact CB-CB 4Å; L833-Q837 HydrophobicContact CD2-CB 3.68Å; L833-Q837 HydrophobicContact CG-CB 4.48Å; T834-Q837 PolarHBondContact O-N 3.25Å; T834-Q837 PolarHBondContact OG1-OE1 3.45Å; Q837-M841 PolarHBondContact O-N 3.44Å |
| 838 | S | 45.1 | Very low | 48.7 | Very low | 51 Ų | 51 | 111 Ų | 111 | 36% | 0.357 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.8 | -41.8 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L833 T834 A835 E836 M841 R842 | L833-S838 WeakPolarHBondContact CB-OG 3.31Å; T834-S838 PolarHBondContact O-N 3.48Å; T834-S838 PolarHBondContact O-OG 3.37Å; A835-S838 PolarHBondContact O-N 2.85Å; E836-S838 VanDerWaalsContact C-N 3.3Å; E836-S838 PolarHBondContact O-N 3.03Å; S838-M841 PolarHBondContact O-N 3.29Å; S838-R842 WeakPolarHBondContact O-CB 3.33Å; S838-R842 PolarHBondContact O-N 3.45Å |
| 839 | D | 60.4 | Low | 50.2 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 51% | 0.508 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.3 | -36.1 | 175.7 | -73.7 | -21.8 | 0 | 0 | 0 | 112.1 | A835 E836 R842 S843 | A835-D839 WeakPolarHBondContact O-CB 3.25Å; A835-D839 VanDerWaalsContact O-CG 3.31Å; A835-D839 PolarHBondContact O-N 3.38Å; E836-D839 PolarHBondContact O-N 3.38Å; D839-R842 PolarHBondContact O-N 3.08Å; D839-S843 VanDerWaalsContact O-CB 3.29Å; D839-S843 WeakPolarHBondContact O-CB 3.3Å; D839-S843 PolarHBondContact O-N 3.42Å; D839-S843 PolarHBondContact O-OG 2.9Å |
| 840 | E | 59.7 | Low | 51.8 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -44.3 | 172.7 | -165.1 | -163 | 152.1 | 0 | 0 | 110.6 | E836 S843 K844 | E836-E840 WeakPolarHBondContact O-CB 3.43Å; E836-E840 PolarHBondContact O-N 3.34Å; E840-S843 WeakPolarHBondContact O-CB 3.5Å; E840-S843 PolarHBondContact O-N 2.99Å; E840-K844 PolarHBondContact O-N 3.12Å; E840-K844 IonicContact OE1-NZ 3.95Å; E840-K844 PolarHBondContact OE1-NZ 2.83Å |
| 841 | M | 48.9 | Very low | 53.1 | Low | 104 Ų | 104 | 106.1 Ų | 106.1 | 51% | 0.512 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 174.9 | -120.2 | -169 | -72.1 | 0 | 0 | 111.9 | L833 Q837 S838 S843 K844 R845 | L833-M841 HydrophobicContact CD1-CE 3.32Å; L833-M841 HydrophobicContact CD2-CE 3.48Å; L833-M841 VanDerWaalsContact CD2-CE 3.48Å; L833-M841 HydrophobicContact CG-CE 4.03Å; Q837-M841 PolarHBondContact O-N 3.44Å; S838-M841 PolarHBondContact O-N 3.29Å; M841-S843 VanDerWaalsContact C-N 3.31Å; M841-S843 PolarHBondContact O-N 3.44Å; M841-K844 PolarHBondContact O-N 3.47Å; M841-R845 WeakPolarHBondContact O-CB 3.39Å; M841-R845 PolarHBondContact O-N 3.3Å |
| 842 | R | 47 | Very low | 53.8 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175 | -156.2 | 179.2 | -160.9 | -132.4 | 0.4 | 110.7 | D772 S838 D839 R845 L846 | D772-R842 IonicContact OD1-CZ 2.73Å; D772-R842 IonicContact OD1-NH1 3.94Å; D772-R842 IonicContact OD1-NH2 2.74Å; D772-R842 PolarHBondContact OD1-NH2 2.69Å; S838-R842 WeakPolarHBondContact O-CB 3.33Å; S838-R842 PolarHBondContact O-N 3.45Å; D839-R842 PolarHBondContact O-N 3.08Å; R842-R845 WeakPolarHBondContact O-CB 3.29Å; R842-R845 PolarHBondContact O-N 2.85Å; R842-L846 PolarHBondContact O-N 2.87Å |
| 843 | S | 63.3 | Low | 54.5 | Low | 72 Ų | 72 | 101 Ų | 101 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | 176.6 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | D839 E840 M841 R845 L846 Q847 | D839-S843 VanDerWaalsContact O-CB 3.29Å; D839-S843 WeakPolarHBondContact O-CB 3.3Å; D839-S843 PolarHBondContact O-N 3.42Å; D839-S843 PolarHBondContact O-OG 2.9Å; E840-S843 WeakPolarHBondContact O-CB 3.5Å; E840-S843 PolarHBondContact O-N 2.99Å; M841-S843 VanDerWaalsContact C-N 3.31Å; M841-S843 PolarHBondContact O-N 3.44Å; S843-R845 VanDerWaalsContact C-N 3.29Å; S843-R845 PolarHBondContact O-N 3.35Å; S843-L846 WeakPolarHBondContact O-CB 3.4Å; S843-L846 PolarHBondContact O-N 2.81Å; S843-Q847 WeakPolarHBondContact O-CB 3.29Å; S843-Q847 PolarHBondContact O-N 3.22Å |
| 844 | K | 61.3 | Low | 55 | Low | 114 Ų | 114 | 102.6 Ų | 102.6 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.2 | -40.2 | 172.2 | -101.8 | 171.3 | 177.9 | 151.8 | 0 | 112.1 | E840 M841 Q847 N848 | E840-K844 PolarHBondContact O-N 3.12Å; E840-K844 IonicContact OE1-NZ 3.95Å; E840-K844 PolarHBondContact OE1-NZ 2.83Å; M841-K844 PolarHBondContact O-N 3.47Å; K844-Q847 PolarHBondContact O-N 3.32Å; K844-N848 PolarHBondContact O-N 3.49Å |
| 845 | R | 50.1 | Low | 54.9 | Low | 164 Ų | 164 | 104 Ų | 104 | 62% | 0.619 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -48.4 | 176.4 | -136.6 | 178.1 | -160.8 | 163.3 | 4 | 111.5 | M841 R842 S843 Q847 N848 Q849 | M841-R845 WeakPolarHBondContact O-CB 3.39Å; M841-R845 PolarHBondContact O-N 3.3Å; R842-R845 WeakPolarHBondContact O-CB 3.29Å; R842-R845 PolarHBondContact O-N 2.85Å; S843-R845 VanDerWaalsContact C-N 3.29Å; S843-R845 PolarHBondContact O-N 3.35Å; R845-Q847 VanDerWaalsContact C-N 3.27Å; R845-Q847 PolarHBondContact O-N 3.03Å; R845-N848 PolarHBondContact O-N 2.87Å; R845-Q849 WeakPolarHBondContact O-CB 3.37Å; R845-Q849 VanDerWaalsContact O-CG 3.22Å; R845-Q849 WeakPolarHBondContact O-CG 3.47Å; R845-Q849 PolarHBondContact O-N 3.32Å |
| 846 | L | 62 | Low | 54.3 | Low | 88 Ų | 88 | 104.3 Ų | 104.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -37.1 | 175.4 | -99.8 | 150.9 | 0 | 0 | 0 | 112 | R842 S843 Q849 Q850 | R842-L846 PolarHBondContact O-N 2.87Å; S843-L846 WeakPolarHBondContact O-CB 3.4Å; S843-L846 PolarHBondContact O-N 2.81Å; L846-Q849 PolarHBondContact O-N 3Å; L846-Q850 WeakPolarHBondContact O-CB 3.31Å; L846-Q850 WeakPolarHBondContact O-CG 3.4Å; L846-Q850 PolarHBondContact O-N 3.07Å |
| 847 | Q | 60.3 | Low | 53.5 | Low | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 178.1 | -145.8 | 174.9 | 12.3 | 0 | 0 | 112.1 | S843 K844 R845 Q849 Q850 N851 | S843-Q847 WeakPolarHBondContact O-CB 3.29Å; S843-Q847 PolarHBondContact O-N 3.22Å; K844-Q847 PolarHBondContact O-N 3.32Å; R845-Q847 VanDerWaalsContact C-N 3.27Å; R845-Q847 PolarHBondContact O-N 3.03Å; Q847-Q849 VanDerWaalsContact C-N 3.3Å; Q847-Q849 PolarHBondContact O-N 2.69Å; Q847-Q850 PolarHBondContact O-N 3.36Å; Q847-N851 WeakPolarHBondContact O-CB 3.21Å; Q847-N851 PolarHBondContact O-N 2.97Å |
| 848 | N | 54.4 | Low | 52.8 | Low | 114 Ų | 114 | 106 Ų | 106 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 173.7 | -75.1 | -7.4 | 0 | 0 | 0 | 111.8 | K844 R845 N851 N852 | K844-N848 PolarHBondContact O-N 3.49Å; R845-N848 PolarHBondContact O-N 2.87Å; N848-N851 PolarHBondContact O-N 3.16Å; N848-N852 WeakPolarHBondContact O-CB 3.47Å; N848-N852 PolarHBondContact O-N 3.02Å |
| 849 | Q | 58.3 | Low | 52.4 | Low | 57 Ų | 57 | 109 Ų | 109 | 27% | 0.266 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.9 | -74.7 | 173.7 | 6.2 | 0 | 0 | 112.2 | R845 L846 Q847 N851 N852 Y855 | R845-Q849 WeakPolarHBondContact O-CB 3.37Å; R845-Q849 VanDerWaalsContact O-CG 3.22Å; R845-Q849 WeakPolarHBondContact O-CG 3.47Å; R845-Q849 PolarHBondContact O-N 3.32Å; L846-Q849 PolarHBondContact O-N 3Å; Q847-Q849 VanDerWaalsContact C-N 3.3Å; Q847-Q849 PolarHBondContact O-N 2.69Å; Q849-N851 VanDerWaalsContact C-N 3.33Å; Q849-N851 PolarHBondContact O-N 3.41Å; Q849-N852 PolarHBondContact O-N 2.95Å; Q849-Y855 HydrophobicContact CB-CD1 3.52Å; Q849-Y855 HydrophobicContact CB-CE1 3.72Å; Q849-Y855 HydrophobicContact CB-CG 3.95Å; Q849-Y855 HydrophobicContact CG-CD1 3.7Å; Q849-Y855 HydrophobicContact CG-CD2 4.02Å; Q849-Y855 HydrophobicContact CG-CE1 3.5Å; Q849-Y855 VanDerWaalsContact CG-CE1 3.5Å; Q849-Y855 HydrophobicContact CG-CE2 3.84Å; Q849-Y855 HydrophobicContact CG-CG 3.96Å; Q849-Y855 PolarHBondContact NE2-OH 3.45Å; Q849-Y855 VanDerWaalsContact NE2-OH 3.08Å; Q849-Y855 WeakPolarHBondContact O-CB 3.49Å; Q849-Y855 VanDerWaalsContact OE1-CE1 3.25Å |
| 850 | Q | 57.4 | Low | 51.1 | Low | 126 Ų | 126 | 111.8 Ų | 111.8 | 59% | 0.589 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.3 | -35.3 | 174.8 | -85 | -176.4 | -6.8 | 0 | 0 | 113.1 | L846 Q847 | L846-Q850 WeakPolarHBondContact O-CB 3.31Å; L846-Q850 WeakPolarHBondContact O-CG 3.4Å; L846-Q850 PolarHBondContact O-N 3.07Å; Q847-Q850 PolarHBondContact O-N 3.36Å |
| 851 | N | 54 | Low | 49.8 | Very low | 122 Ų | 122 | 111.8 Ų | 111.8 | 65% | 0.652 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -81.1 | -17.3 | 178.8 | -71.3 | -13.1 | 0 | 0 | 0 | 113.3 | Q847 N848 Q849 P853 | Q847-N851 WeakPolarHBondContact O-CB 3.21Å; Q847-N851 PolarHBondContact O-N 2.97Å; N848-N851 PolarHBondContact O-N 3.16Å; Q849-N851 VanDerWaalsContact C-N 3.33Å; Q849-N851 PolarHBondContact O-N 3.41Å; N851-P853 WeakPolarHBondContact O-CD 3.35Å |
| 852 | N | 50.1 | Low | 48.9 | Very low | 69 Ų | 69 | 116 Ų | 116 | 37% | 0.369 | 59% | 0.587 | S | S | . | * | trans | -79 | 110.7 | 175.7 | -175.6 | -11.3 | 0 | 0 | 0 | 109.6 | N848 Q849 N854 Y855 | N848-N852 WeakPolarHBondContact O-CB 3.47Å; N848-N852 PolarHBondContact O-N 3.02Å; Q849-N852 PolarHBondContact O-N 2.95Å; N852-N854 PolarHBondContact O-N 3.27Å; N852-N854 WeakPolarHBondContact OD1-CB 3.43Å; N852-N854 PolarHBondContact OD1-N 3.22Å; N852-Y855 PolarHBondContact O-N 2.87Å; N852-Y855 VanDerWaalsContact O-N 3.09Å | ||
| 853 | P | 51.8 | Low | 47.9 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -17.2 | 179.7 | 25.7 | -33.9 | 0 | 0 | 0 | 113.2 | N851 | N851-P853 WeakPolarHBondContact O-CD 3.35Š|
| 854 | N | 49.9 | Very low | 46.1 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -1 | 179.9 | -60.7 | -24.4 | 0 | 0 | 0 | 113.8 | N852 | N852-N854 PolarHBondContact O-N 3.27Å; N852-N854 WeakPolarHBondContact OD1-CB 3.43Å; N852-N854 PolarHBondContact OD1-N 3.22Å |
| 855 | Y | 49.5 | Very low | 44.4 | Very low | 113 Ų | 113 | 125.3 Ų | 125.3 | 44% | 0.443 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -99.6 | 141.6 | -174.6 | -156.9 | -90.2 | 0 | 0 | 0 | 113.7 | Q849 N852 | Q849-Y855 HydrophobicContact CB-CD1 3.52Å; Q849-Y855 HydrophobicContact CB-CE1 3.72Å; Q849-Y855 HydrophobicContact CB-CG 3.95Å; Q849-Y855 HydrophobicContact CG-CD1 3.7Å; Q849-Y855 HydrophobicContact CG-CD2 4.02Å; Q849-Y855 HydrophobicContact CG-CE1 3.5Å; Q849-Y855 VanDerWaalsContact CG-CE1 3.5Å; Q849-Y855 HydrophobicContact CG-CE2 3.84Å; Q849-Y855 HydrophobicContact CG-CG 3.96Å; Q849-Y855 PolarHBondContact NE2-OH 3.45Å; Q849-Y855 VanDerWaalsContact NE2-OH 3.08Å; Q849-Y855 WeakPolarHBondContact O-CB 3.49Å; Q849-Y855 VanDerWaalsContact OE1-CE1 3.25Å; N852-Y855 PolarHBondContact O-N 2.87Å; N852-Y855 VanDerWaalsContact O-N 3.09Å |
| 856 | L | 44.3 | Very low | 43.2 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 43% | 0.429 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 123.6 | -177 | -73.7 | 158.6 | 0 | 0 | 0 | 112.1 | Q760 K761 | Q760-L856 HydrophobicContact CB-CD2 4.18Å; K761-L856 HydrophobicContact CG-CD2 4.17Å |
| 857 | K | 43.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 122.8 | 170.4 | -64.3 | 179.3 | -177.1 | -179.3 | 0 | 110 | ||
| 858 | P | 38.8 | Very low | 39.6 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 135.5 | 176.5 | 24.9 | -30.4 | 0 | 0 | 0 | 110.9 | ||
| 859 | V | 36.3 | Very low | 38.2 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 70% | 0.697 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.6 | 174.9 | 175.8 | 0 | 0 | 0 | 0 | 108.3 | P861 | V859-P861 WeakPolarHBondContact O-CD 3.35Š|
| 860 | N | 32.8 | Very low | 36.4 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.5 | 165.8 | -101.7 | -20.4 | 0 | 0 | 0 | 108.5 | K862 | N860-K862 PolarHBondContact O-N 3.04Š|
| 861 | P | 32 | Very low | 34.8 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -78.7 | 26.1 | -169.2 | 32.2 | -35.7 | 0 | 0 | 0 | 113.9 | V859 | V859-P861 WeakPolarHBondContact O-CD 3.35Š|
| 862 | K | 30.4 | Very low | 33.3 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | trans | -123 | 75.1 | 180 | -68.3 | -172.5 | -180 | -179.7 | 0 | 110.9 | N860 | N860-K862 PolarHBondContact O-N 3.04Š| ||
| 863 | K | 26.8 | Very low | 32.1 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | trans | -167.2 | 61.9 | 152.7 | -106 | 171.9 | -173.9 | -173.4 | 0 | 109.2 | N865 | K863-N865 PolarHBondContact O-N 3.27Š| ||
| 864 | N | 23.9 | Very low | 30.7 | Very low | 155 Ų | 155 | 149 Ų | 149 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -79.1 | 80.7 | 159.8 | -81.7 | -5.2 | 0 | 0 | 0 | 107.6 | ||||
| 865 | N | 26.3 | Very low | 29.6 | Very low | 160 Ų | 160 | 150.7 Ų | 150.7 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | -107.3 | 89.1 | 154.8 | -82.4 | 3.5 | 0 | 0 | 0 | 106.1 | K863 E867 | K863-N865 PolarHBondContact O-N 3.27Å; N865-E867 PolarHBondContact O-N 3.01Å | ||
| 866 | L | 24.1 | Very low | 28.4 | Very low | 166 Ų | 166 | 153.1 Ų | 153.1 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -76 | 99.4 | 168.9 | -165 | 90.2 | 0 | 0 | 0 | 106.1 | ||||
| 867 | E | 22.6 | Very low | 27.5 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | 173.3 | 97.6 | 159.8 | -101.1 | 165.3 | -157.5 | 0 | 0 | 108.6 | N865 | N865-E867 PolarHBondContact O-N 3.01Š| ||
| 868 | N | 24.2 | Very low | 26.6 | Very low | 154 Ų | 154 | 156.3 Ų | 156.3 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | 161.2 | 137.5 | 127.6 | -83.2 | -31.8 | 0 | 0 | 0 | 111.7 | |||||
| 869 | S | 25 | Very low | 26 | Very low | 112 Ų | 112 | 157 Ų | 157 | 78% | 0.783 | 83% | 0.825 | S | S | * | * | trans | 78.3 | 68 | 162.5 | -50.8 | 0 | 0 | 0 | 0 | 116.6 | N871 | S869-N871 PolarHBondContact O-N 3.42Š| ||
| 870 | L | 21.2 | Very low | 25.5 | Very low | 166 Ų | 166 | 159.7 Ų | 159.7 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | -52.2 | 112.3 | 123.3 | -71.5 | 161.8 | 0 | 0 | 0 | 108.2 | |||||
| 871 | N | 23.2 | Very low | 25.1 | Very low | 150 Ų | 150 | 162 Ų | 162 | 80% | 0.802 | 84% | 0.836 | S | S | * | * | trans | 175.4 | 148 | 137.2 | -92.3 | -14.2 | 0 | 0 | 0 | 110 | S869 | S869-N871 PolarHBondContact O-N 3.42Š| ||
| 872 | E | 23.2 | Very low | 24.8 | Very low | 177 Ų | 177 | 165 Ų | 165 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | S | Bend | trans | 94.8 | 124.7 | 169.6 | -53.2 | -171.1 | 169.8 | 0 | 0 | 116.6 | ||
| 873 | Q | 25.5 | Very low | 24.6 | Very low | 184 Ų | 184 | 159.5 Ų | 159.5 | 86% | 0.86 | 84% | 0.843 | S | S | * | * | trans | 89.5 | 47.8 | 165.3 | -47.9 | -171.9 | 2.9 | 0 | 0 | 116.1 | ||||
| 874 | Q | 22.4 | Very low | 24.5 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 84% | 0.844 | S | S | * | * | trans | -73.7 | 104 | 139.4 | -169.7 | 84.4 | 8.8 | 0 | 0 | 107.5 | ||||
| 875 | N | 25 | Very low | 24.5 | Very low | 144 Ų | 144 | 158.9 Ų | 158.9 | 77% | 0.77 | 85% | 0.848 | S | S | * | * | trans | 169.9 | 91.7 | 156.3 | -85.8 | -14.9 | 0 | 0 | 0 | 107.5 | ||||
| 876 | D | 24.5 | Very low | 24.4 | Very low | 164 Ų | 164 | 160.2 Ų | 160.2 | 88% | 0.877 | 85% | 0.849 | S | S | * | * | S | Bend | trans | 169.9 | 50.2 | 151.9 | -86.6 | -14.4 | 0 | 0 | 0 | 110.9 | ||
| 877 | V | 25.4 | Very low | 24.4 | Very low | 139 Ų | 139 | 160.5 Ų | 160.5 | 84% | 0.842 | 85% | 0.851 | S | S | * | * | trans | -143.7 | 76.5 | 165.6 | -172 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 878 | N | 24.4 | Very low | 24.4 | Very low | 162 Ų | 162 | 156 Ų | 156 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | -151.6 | 40.7 | 172.5 | -115.7 | 4.3 | 0 | 0 | 0 | 113.1 | ||||
| 879 | V | 25.9 | Very low | 24.5 | Very low | 141 Ų | 141 | 156 Ų | 156 | 86% | 0.855 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -144.7 | 38.3 | 170.4 | -159.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 880 | I | 26.2 | Very low | 24.4 | Very low | 171 Ų | 171 | 158.4 Ų | 158.4 | 88% | 0.877 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -149.6 | 70.1 | 161.6 | -47.9 | 177.3 | 0 | 0 | 0 | 108.2 | ||
| 881 | K | 25.5 | Very low | 24.5 | Very low | 201 Ų | 201 | 156.8 Ų | 156.8 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | trans | -152.9 | 8.8 | 168 | -116.3 | 178 | -171.9 | -172 | 0 | 116.8 | ||||
| 882 | N | 25.8 | Very low | 24.5 | Very low | 174 Ų | 174 | 155.4 Ų | 155.4 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -108.1 | 95.4 | 175.1 | -66.1 | -0.7 | 0 | 0 | 0 | 108.8 | ||
| 883 | G | 24.9 | Very low | 24.5 | Very low | 75 Ų | 75 | 154.9 Ų | 154.9 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | S | Bend | trans | 172.1 | -9.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 884 | V | 25.5 | Very low | 24.4 | Very low | 146 Ų | 146 | 151 Ų | 151 | 89% | 0.885 | 84% | 0.844 | S | S | * | * | trans | -128.2 | 55.9 | 179.6 | -162.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 885 | E | 24.3 | Very low | 24.5 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 85% | 0.845 | S | S | * | * | trans | -126.2 | 65.9 | 165.4 | -79.4 | -171.3 | 163.9 | 0 | 0 | 108.7 | ||||
| 886 | Q | 24.3 | Very low | 24.3 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 88% | 0.883 | 85% | 0.853 | S | S | * | * | trans | -158.7 | 41.9 | 166.3 | -124.1 | -179.9 | 35.7 | 0 | 0 | 114.3 | ||||
| 887 | L | 24.4 | Very low | 24.2 | Very low | 171 Ų | 171 | 154 Ų | 154 | 90% | 0.895 | 85% | 0.85 | S | S | * | * | trans | -140.8 | 88.3 | 159.3 | -77.4 | 176 | 0 | 0 | 0 | 108.5 | L889 | L887-L889 PolarHBondContact O-N 3.41Å; L887-L889 VanDerWaalsContact O-N 3.09Å | ||
| 888 | G | 22.6 | Very low | 24 | Very low | 79 Ų | 79 | 157.8 Ų | 157.8 | 81% | 0.814 | 85% | 0.851 | S | S | * | * | trans | -65.7 | 102.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 889 | L | 24.9 | Very low | 23.8 | Very low | 155 Ų | 155 | 156.1 Ų | 156.1 | 81% | 0.812 | 85% | 0.85 | S | S | * | * | trans | -122 | 95.5 | 158.3 | -73 | 174.9 | 0 | 0 | 0 | 107.3 | L887 V891 | L887-L889 PolarHBondContact O-N 3.41Å; L887-L889 VanDerWaalsContact O-N 3.09Å; L889-V891 PolarHBondContact O-N 3.13Å | ||
| 890 | N | 23.4 | Very low | 23.6 | Very low | 162 Ų | 162 | 158.3 Ų | 158.3 | 87% | 0.866 | 85% | 0.851 | S | S | * | * | trans | -59.9 | 99 | 168.8 | -79.6 | -30.1 | 0 | 0 | 0 | 109 | ||||
| 891 | V | 24 | Very low | 23.4 | Very low | 133 Ų | 133 | 156 Ų | 156 | 81% | 0.806 | 85% | 0.845 | S | S | * | * | trans | -103.9 | 93.5 | 161.8 | -177.8 | 0 | 0 | 0 | 0 | 106.4 | L889 D893 | L889-V891 PolarHBondContact O-N 3.13Å; V891-D893 PolarHBondContact O-N 3.42Å | ||
| 892 | T | 23.4 | Very low | 23.3 | Very low | 120 Ų | 120 | 154.8 Ų | 154.8 | 74% | 0.736 | 84% | 0.843 | S | S | * | * | trans | -61.4 | 126.9 | 174.4 | 42.1 | 0 | 0 | 0 | 0 | 110.7 | S894 | T892-S894 PolarHBondContact O-N 2.99Å; T892-S894 VanDerWaalsContact O-N 3.07Å | ||
| 893 | D | 22.7 | Very low | 23.1 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -48.3 | 103 | 167.2 | -82.2 | -51.7 | 0 | 0 | 0 | 112.1 | V891 | V891-D893 PolarHBondContact O-N 3.42Š|
| 894 | S | 23.8 | Very low | 23.1 | Very low | 103 Ų | 103 | 153.9 Ų | 153.9 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | trans | -165.3 | 65.5 | 164.7 | -72.9 | 0 | 0 | 0 | 0 | 110.7 | T892 | T892-S894 PolarHBondContact O-N 2.99Å; T892-S894 VanDerWaalsContact O-N 3.07Å | ||
| 895 | N | 23 | Very low | 23.1 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | trans | -155.3 | 69.4 | 160.8 | -95.6 | -25.9 | 0 | 0 | 0 | 110.9 | ||||
| 896 | K | 22.3 | Very low | 23.1 | Very low | 216 Ų | 216 | 153.1 Ų | 153.1 | 94% | 0.939 | 83% | 0.833 | S | S | * | * | trans | -100.5 | 24 | 168.1 | -96.6 | -172.7 | 179.3 | 176.7 | 0 | 112.9 | ||||
| 897 | Q | 22 | Very low | 23.2 | Very low | 174 Ų | 174 | 153.8 Ų | 153.8 | 81% | 0.813 | 83% | 0.833 | S | S | * | * | trans | -137.1 | 38.8 | -170.8 | -135.5 | 160.1 | 7.7 | 0 | 0 | 115.1 | ||||
| 898 | Y | 19.7 | Very low | 23.3 | Very low | 219 Ų | 219 | 153.5 Ų | 153.5 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | trans | -142.3 | 58.4 | 161.9 | -105 | -86.2 | 0 | 0 | 0 | 110.7 | ||||
| 899 | C | 20.5 | Very low | 24 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 86% | 0.858 | 82% | 0.818 | S | S | * | * | trans | -124.3 | 56.5 | 170.1 | -75.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 900 | Q | 21.7 | Very low | 25 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -146.9 | 78 | 163.5 | -74.2 | -169.8 | -10.5 | 0 | 0 | 109.5 | ||||
| 901 | T | 22.2 | Very low | 26.1 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -163.2 | 106.6 | 151.5 | 7.4 | 0 | 0 | 0 | 0 | 110.6 | ||
| 902 | Q | 23.7 | Very low | 27.2 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 60.2 | 97 | 147.8 | -67 | 176.2 | -4.2 | 0 | 0 | 118.9 | S904 | Q902-S904 PolarHBondContact O-N 3.41Š| ||
| 903 | S | 21 | Very low | 28.6 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -39.4 | 112.8 | 145.5 | 44.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 904 | S | 25.4 | Very low | 30.1 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | trans | -153.4 | 63.3 | 155.4 | -78.6 | 0 | 0 | 0 | 0 | 108.9 | Q902 R906 | Q902-S904 PolarHBondContact O-N 3.41Å; S904-R906 PolarHBondContact O-N 2.94Å | ||
| 905 | A | 25.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 128.1 Ų | 128.1 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | trans | -63.1 | 104.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | K907 | A905-K907 PolarHBondContact O-N 3.46Å; A905-K907 VanDerWaalsContact O-N 3.12Å | ||
| 906 | R | 25.2 | Very low | 32.5 | Very low | 225 Ų | 225 | 122.8 Ų | 122.8 | 85% | 0.849 | 65% | 0.647 | S | S | * | * | trans | -63.6 | 111 | 174.8 | -74.6 | 179.1 | -177.3 | 167 | 0.9 | 108.5 | S904 L908 | S904-R906 PolarHBondContact O-N 2.94Å; R906-L908 PolarHBondContact O-N 3.26Å | ||
| 907 | K | 26.2 | Very low | 34.3 | Very low | 203 Ų | 203 | 116.8 Ų | 116.8 | 88% | 0.883 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 121.8 | 172.8 | -73.1 | 177.3 | 173.8 | -179.4 | 0 | 109.3 | A905 A909 | A905-K907 PolarHBondContact O-N 3.46Å; A905-K907 VanDerWaalsContact O-N 3.12Å; K907-A909 PolarHBondContact O-N 3.21Å |
| 908 | L | 27.6 | Very low | 35.7 | Very low | 164 Ų | 164 | 109.3 Ų | 109.3 | 86% | 0.859 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.8 | 160.7 | -111.1 | 69 | 0 | 0 | 0 | 107.5 | R906 T910 | R906-L908 PolarHBondContact O-N 3.26Å; L908-T910 PolarHBondContact O-N 3.17Å; L908-T910 VanDerWaalsContact O-N 3.13Å |
| 909 | A | 37.2 | Very low | 37.2 | Very low | 67 Ų | 67 | 104.9 Ų | 104.9 | 55% | 0.554 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 118.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | K907 | K907-A909 PolarHBondContact O-N 3.21Š|
| 910 | T | 45.4 | Very low | 39.2 | Very low | 66 Ų | 66 | 104.2 Ų | 104.2 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 141.7 | 176.2 | 39.4 | 0 | 0 | 0 | 0 | 109.3 | L908 D912 Q913 F914 | L908-T910 PolarHBondContact O-N 3.17Å; L908-T910 VanDerWaalsContact O-N 3.13Å; T910-D912 PolarHBondContact O-N 3.37Å; T910-Q913 PolarHBondContact O-N 3.15Å; T910-F914 PolarHBondContact O-N 3.37Å |
| 911 | S | 45.8 | Very low | 40.9 | Very low | 22 Ų | 22 | 100.2 Ų | 100.2 | 15% | 0.154 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -40.7 | -37.9 | 177.7 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | E623 V626 F914 A915 | E623-S911 PolarHBondContact OE1-OG 3.07Å; E623-S911 VanDerWaalsContact OE2-CB 3.31Å; E623-S911 WeakPolarHBondContact OE2-CB 3.44Å; E623-S911 PolarHBondContact OE2-OG 3.43Å; V626-S911 WeakPolarHBondContact CG1-OG 3.18Å; S911-F914 PolarHBondContact O-N 3.11Å; S911-A915 PolarHBondContact O-N 3.47Å |
| 912 | D | 46.7 | Very low | 42.2 | Very low | 49 Ų | 49 | 98.7 Ų | 98.7 | 26% | 0.262 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 178.7 | -56.3 | -62 | 0 | 0 | 0 | 115.8 | N776 T910 F914 A915 A916 | N776-D912 PolarHBondContact ND2-OD1 2.81Å; N776-D912 PolarHBondContact ND2-OD2 2.98Å; T910-D912 PolarHBondContact O-N 3.37Å; D912-F914 PolarHBondContact O-N 2.81Å; D912-A915 PolarHBondContact O-N 3.43Å; D912-A916 VanDerWaalsContact O-CB 3.24Å; D912-A916 WeakPolarHBondContact O-CB 3.09Å; D912-A916 PolarHBondContact O-N 3.49Å |
| 913 | Q | 53.7 | Low | 43.6 | Very low | 127 Ų | 127 | 96.4 Ų | 96.4 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | 178 | -74.7 | -173.8 | -1.9 | 0 | 0 | 110.2 | T910 E917 | T910-Q913 PolarHBondContact O-N 3.15Å; Q913-E917 VanDerWaalsContact O-CB 3.32Å; Q913-E917 WeakPolarHBondContact O-CB 3.5Å; Q913-E917 PolarHBondContact O-N 2.84Å |
| 914 | F | 53.6 | Low | 45.2 | Very low | 50 Ų | 50 | 94.3 Ų | 94.3 | 22% | 0.219 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.8 | -49.5 | 174 | -176.8 | -99 | 0 | 0 | 0 | 111.3 | V626 H629 Q630 T910 S911 D912 A916 E917 M918 | V626-F914 HydrophobicContact CG1-CD1 3.86Å; H629-F914 AromaticContact CE1-CZ 3.82Å; H629-F914 AromaticContact ND1-CE1 3.94Å; H629-F914 AromaticContact ND1-CZ 3.56Å; Q630-F914 HydrophobicContact CG-CD1 4.42Å; Q630-F914 HydrophobicContact CG-CE1 4.39Å; T910-F914 PolarHBondContact O-N 3.37Å; S911-F914 PolarHBondContact O-N 3.11Å; D912-F914 PolarHBondContact O-N 2.81Å; F914-A916 VanDerWaalsContact C-N 3.29Å; F914-A916 PolarHBondContact O-N 2.87Å; F914-E917 PolarHBondContact O-N 3.49Å; F914-M918 HydrophobicContact CD1-CG 4.15Å; F914-M918 HydrophobicContact CE1-CG 3.75Å; F914-M918 HydrophobicContact CE2-CG 4.18Å; F914-M918 HydrophobicContact CE2-SD 4.18Å; F914-M918 HydrophobicContact CZ-CG 3.76Å; F914-M918 HydrophobicContact CZ-SD 3.93Å; F914-M918 VanDerWaalsContact O-CG 3.29Å; F914-M918 WeakPolarHBondContact O-CG 3.41Å; F914-M918 PolarHBondContact O-N 3.46Å |
| 915 | A | 44.4 | Very low | 46.1 | Very low | 5 Ų | 5 | 91.4 Ų | 91.4 | 4% | 0.041 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -58.3 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V614 H615 S911 D912 R919 | V614-A915 HydrophobicContact CG1-CB 4.25Å; H615-A915 PolarHBondContact NE2-O 3.05Å; S911-A915 PolarHBondContact O-N 3.47Å; D912-A915 PolarHBondContact O-N 3.43Å; A915-R919 WeakPolarHBondContact O-CG 3.24Å; A915-R919 PolarHBondContact O-N 3.28Å |
| 916 | A | 54.1 | Low | 47 | Very low | 50 Ų | 50 | 89.5 Ų | 89.5 | 41% | 0.413 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | D912 F914 M918 R919 K920 | D912-A916 VanDerWaalsContact O-CB 3.24Å; D912-A916 WeakPolarHBondContact O-CB 3.09Å; D912-A916 PolarHBondContact O-N 3.49Å; F914-A916 VanDerWaalsContact C-N 3.29Å; F914-A916 PolarHBondContact O-N 2.87Å; A916-M918 VanDerWaalsContact C-N 3.35Å; A916-R919 WeakPolarHBondContact O-CB 3.39Å; A916-R919 PolarHBondContact O-N 2.97Å; A916-K920 PolarHBondContact O-N 2.75Å; A916-K920 VanDerWaalsContact O-N 3.13Å |
| 917 | E | 59.5 | Low | 48.3 | Very low | 89 Ų | 89 | 81.4 Ų | 81.4 | 42% | 0.416 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 175.9 | -171.6 | 57.8 | -155.4 | 0 | 0 | 111 | Q913 F914 R919 K920 Q921 | Q913-E917 VanDerWaalsContact O-CB 3.32Å; Q913-E917 WeakPolarHBondContact O-CB 3.5Å; Q913-E917 PolarHBondContact O-N 2.84Å; F914-E917 PolarHBondContact O-N 3.49Å; E917-R919 VanDerWaalsContact C-N 3.34Å; E917-R919 PolarHBondContact O-N 2.89Å; E917-K920 WeakPolarHBondContact O-CB 3.45Å; E917-K920 PolarHBondContact O-N 3.42Å; E917-Q921 PolarHBondContact O-N 3.42Å |
| 918 | M | 51.6 | Low | 49.3 | Very low | 18 Ų | 18 | 75 Ų | 75 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 173.3 | -66.2 | -54.8 | -69.9 | 0 | 0 | 111.4 | I611 V614 F914 A916 K920 Q921 F922 | I611-M918 HydrophobicContact CD1-CE 3.25Å; I611-M918 HydrophobicContact CG1-CE 3.8Å; V614-M918 HydrophobicContact CG1-CB 4.27Å; V614-M918 HydrophobicContact CG1-CG 4.47Å; F914-M918 HydrophobicContact CD1-CG 4.15Å; F914-M918 HydrophobicContact CE1-CG 3.75Å; F914-M918 HydrophobicContact CE2-CG 4.18Å; F914-M918 HydrophobicContact CE2-SD 4.18Å; F914-M918 HydrophobicContact CZ-CG 3.76Å; F914-M918 HydrophobicContact CZ-SD 3.93Å; F914-M918 VanDerWaalsContact O-CG 3.29Å; F914-M918 WeakPolarHBondContact O-CG 3.41Å; F914-M918 PolarHBondContact O-N 3.46Å; A916-M918 VanDerWaalsContact C-N 3.35Å; M918-K920 VanDerWaalsContact C-N 3.32Å; M918-K920 PolarHBondContact O-N 2.97Å; M918-Q921 PolarHBondContact O-N 2.89Å; M918-Q921 VanDerWaalsContact O-N 3.17Å; M918-F922 HydrophobicContact CE-CE2 4.28Å; M918-F922 VanDerWaalsContact O-CD2 3.25Å; M918-F922 WeakPolarHBondContact O-CD2 3.25Å; M918-F922 PolarHBondContact O-N 2.9Å |
| 919 | R | 51.4 | Low | 50 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 173.8 | -78 | -173.8 | 176.3 | 150.5 | 1 | 112.3 | H615 A915 A916 E917 F922 Q923 | H615-R919 WeakPolarHBondContact CD2-CG 3.19Å; H615-R919 VanDerWaalsContact NE2-CG 3.3Å; H615-R919 WeakPolarHBondContact NE2-CG 3.01Å; H615-R919 PolarHBondContact NE2-N 3.38Å; A915-R919 WeakPolarHBondContact O-CG 3.24Å; A915-R919 PolarHBondContact O-N 3.28Å; A916-R919 WeakPolarHBondContact O-CB 3.39Å; A916-R919 PolarHBondContact O-N 2.97Å; E917-R919 VanDerWaalsContact C-N 3.34Å; E917-R919 PolarHBondContact O-N 2.89Å; R919-F922 PolarHBondContact O-N 2.84Å; R919-Q923 WeakPolarHBondContact O-CB 3.43Å; R919-Q923 WeakPolarHBondContact O-CG 3.28Å; R919-Q923 PolarHBondContact O-N 2.98Å |
| 920 | K | 61.3 | Low | 50.2 | Low | 113 Ų | 113 | 74.1 Ų | 74.1 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.2 | -79.9 | -179 | -177.7 | 167.8 | 0 | 111.3 | A916 E917 M918 Q923 T924 | A916-K920 PolarHBondContact O-N 2.75Å; A916-K920 VanDerWaalsContact O-N 3.13Å; E917-K920 WeakPolarHBondContact O-CB 3.45Å; E917-K920 PolarHBondContact O-N 3.42Å; M918-K920 VanDerWaalsContact C-N 3.32Å; M918-K920 PolarHBondContact O-N 2.97Å; K920-Q923 PolarHBondContact O-N 3.23Å; K920-T924 WeakPolarHBondContact O-CB 3.29Å; K920-T924 PolarHBondContact O-N 3.39Å; K920-T924 PolarHBondContact O-OG1 2.7Å |
| 921 | Q | 58 | Low | 50.6 | Low | 104 Ų | 104 | 78.6 Ų | 78.6 | 49% | 0.486 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -42 | 179.5 | -70.1 | -173.4 | 18.1 | 0 | 0 | 112.1 | E917 M918 T924 A925 | E917-Q921 PolarHBondContact O-N 3.42Å; M918-Q921 PolarHBondContact O-N 2.89Å; M918-Q921 VanDerWaalsContact O-N 3.17Å; Q921-T924 PolarHBondContact O-N 3.17Å; Q921-A925 VanDerWaalsContact O-CB 3.26Å; Q921-A925 WeakPolarHBondContact O-CB 3.3Å; Q921-A925 PolarHBondContact O-N 3.32Å |
| 922 | F | 50 | Low | 50.5 | Low | 89 Ų | 89 | 85 Ų | 85 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 174.6 | -85 | -76.8 | 0 | 0 | 0 | 113 | I611 H615 M918 R919 T924 A925 A926 | I611-F922 HydrophobicContact CB-CZ 4.33Å; I611-F922 HydrophobicContact CD1-CE2 3.62Å; I611-F922 HydrophobicContact CD1-CZ 3.48Å; I611-F922 VanDerWaalsContact CD1-CZ 3.48Å; I611-F922 HydrophobicContact CG1-CE2 3.57Å; I611-F922 HydrophobicContact CG1-CZ 3.57Å; I611-F922 HydrophobicContact CG2-CZ 3.84Å; H615-F922 AromaticContact CE1-CD2 3.52Å; H615-F922 AromaticContact CE1-CE2 3.81Å; M918-F922 HydrophobicContact CE-CE2 4.28Å; M918-F922 VanDerWaalsContact O-CD2 3.25Å; M918-F922 WeakPolarHBondContact O-CD2 3.25Å; M918-F922 PolarHBondContact O-N 2.9Å; R919-F922 PolarHBondContact O-N 2.84Å; F922-T924 VanDerWaalsContact C-N 3.3Å; F922-T924 PolarHBondContact O-N 2.99Å; F922-A925 PolarHBondContact O-N 3.31Å; F922-A926 WeakPolarHBondContact O-CB 3.18Å; F922-A926 PolarHBondContact O-N 2.84Å |
| 923 | Q | 52.7 | Low | 50.2 | Low | 128 Ų | 128 | 88.1 Ų | 88.1 | 60% | 0.598 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 176.8 | -74.3 | 168.8 | -2.5 | 0 | 0 | 111.5 | R919 K920 S927 | R919-Q923 WeakPolarHBondContact O-CB 3.43Å; R919-Q923 WeakPolarHBondContact O-CG 3.28Å; R919-Q923 PolarHBondContact O-N 2.98Å; K920-Q923 PolarHBondContact O-N 3.23Å; Q923-S927 WeakPolarHBondContact O-CB 3.48Å; Q923-S927 PolarHBondContact O-N 2.7Å; Q923-S927 PolarHBondContact O-OG 2.8Å |
| 924 | T | 54.6 | Low | 49.8 | Very low | 76 Ų | 76 | 90.1 Ų | 90.1 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 177.4 | -46.1 | 0 | 0 | 0 | 0 | 110.9 | K920 Q921 F922 S927 D928 | K920-T924 WeakPolarHBondContact O-CB 3.29Å; K920-T924 PolarHBondContact O-N 3.39Å; K920-T924 PolarHBondContact O-OG1 2.7Å; Q921-T924 PolarHBondContact O-N 3.17Å; F922-T924 VanDerWaalsContact C-N 3.3Å; F922-T924 PolarHBondContact O-N 2.99Å; T924-S927 CarbonylContact O-C 3.58Å; T924-S927 WeakPolarHBondContact O-CB 3.29Å; T924-S927 PolarHBondContact O-N 3.48Å; T924-D928 WeakPolarHBondContact O-CB 3.33Å; T924-D928 PolarHBondContact O-N 3.33Å |
| 925 | A | 44.8 | Very low | 49.6 | Very low | 50 Ų | 50 | 90.8 Ų | 90.8 | 41% | 0.413 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q921 F922 S927 D928 V929 | Q921-A925 VanDerWaalsContact O-CB 3.26Å; Q921-A925 WeakPolarHBondContact O-CB 3.3Å; Q921-A925 PolarHBondContact O-N 3.32Å; F922-A925 PolarHBondContact O-N 3.31Å; A925-S927 VanDerWaalsContact C-N 3.32Å; A925-S927 PolarHBondContact O-N 2.89Å; A925-D928 PolarHBondContact O-N 3.42Å; A925-V929 VanDerWaalsContact O-CG2 3.29Å; A925-V929 WeakPolarHBondContact O-CG2 3.5Å; A925-V929 PolarHBondContact O-N 3.17Å |
| 926 | A | 44.2 | Very low | 49.5 | Very low | 60 Ų | 60 | 94.4 Ų | 94.4 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -43 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F922 D928 V929 E930 | F922-A926 WeakPolarHBondContact O-CB 3.18Å; F922-A926 PolarHBondContact O-N 2.84Å; A926-D928 PolarHBondContact O-N 2.92Å; A926-V929 PolarHBondContact O-N 3.02Å; A926-E930 PolarHBondContact O-N 3.44Å |
| 927 | S | 51 | Low | 48.9 | Very low | 55 Ų | 55 | 96.9 Ų | 96.9 | 39% | 0.385 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 175.6 | -56 | 0 | 0 | 0 | 0 | 112.4 | Q923 T924 A925 R931 | Q923-S927 WeakPolarHBondContact O-CB 3.48Å; Q923-S927 PolarHBondContact O-N 2.7Å; Q923-S927 PolarHBondContact O-OG 2.8Å; T924-S927 CarbonylContact O-C 3.58Å; T924-S927 WeakPolarHBondContact O-CB 3.29Å; T924-S927 PolarHBondContact O-N 3.48Å; A925-S927 VanDerWaalsContact C-N 3.32Å; A925-S927 PolarHBondContact O-N 2.89Å; S927-R931 VanDerWaalsContact O-CB 3.3Å; S927-R931 WeakPolarHBondContact O-CB 3.48Å; S927-R931 PolarHBondContact O-N 3.19Å |
| 928 | D | 47.3 | Very low | 48.3 | Very low | 69 Ų | 69 | 100.8 Ų | 100.8 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.1 | -35.3 | 178.9 | -79 | -15.2 | 0 | 0 | 0 | 112.3 | T924 A925 A926 R931 K932 | T924-D928 WeakPolarHBondContact O-CB 3.33Å; T924-D928 PolarHBondContact O-N 3.33Å; A925-D928 PolarHBondContact O-N 3.42Å; A926-D928 PolarHBondContact O-N 2.92Å; D928-R931 PolarHBondContact O-N 3.13Å; D928-R931 IonicContact OD1-CZ 2.67Å; D928-R931 IonicContact OD1-NH1 3.25Å; D928-R931 PolarHBondContact OD1-NH1 2.97Å; D928-K932 WeakPolarHBondContact O-CB 3.45Å; D928-K932 PolarHBondContact O-N 2.94Å |
| 929 | V | 43.2 | Very low | 47.8 | Very low | 93 Ų | 93 | 103.5 Ų | 103.5 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -47 | 171.4 | 171.8 | 0 | 0 | 0 | 0 | 110 | A925 A926 R931 K932 L933 | A925-V929 VanDerWaalsContact O-CG2 3.29Å; A925-V929 WeakPolarHBondContact O-CG2 3.5Å; A925-V929 PolarHBondContact O-N 3.17Å; A926-V929 PolarHBondContact O-N 3.02Å; V929-R931 VanDerWaalsContact C-N 3.33Å; V929-R931 PolarHBondContact O-N 2.64Å; V929-K932 PolarHBondContact O-N 2.89Å; V929-L933 WeakPolarHBondContact O-CB 3.35Å; V929-L933 PolarHBondContact O-N 3.38Å |
| 930 | E | 42.2 | Very low | 47 | Very low | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.551 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.9 | -41.7 | 172.9 | -87.3 | -163.6 | 127.8 | 0 | 0 | 112.3 | A926 L933 R934 | A926-E930 PolarHBondContact O-N 3.44Å; E930-L933 PolarHBondContact O-N 2.96Å; E930-R934 WeakPolarHBondContact O-CB 3.47Å; E930-R934 WeakPolarHBondContact O-CG 3.37Å; E930-R934 PolarHBondContact O-N 3.45Å |
| 931 | R | 52.1 | Low | 45.7 | Very low | 161 Ų | 161 | 108 Ų | 108 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67 | -39.7 | 179.8 | -158 | -173.8 | -67.4 | 124.2 | 1.5 | 111.4 | S927 D928 V929 R934 S935 | S927-R931 VanDerWaalsContact O-CB 3.3Å; S927-R931 WeakPolarHBondContact O-CB 3.48Å; S927-R931 PolarHBondContact O-N 3.19Å; D928-R931 PolarHBondContact O-N 3.13Å; D928-R931 IonicContact OD1-CZ 2.67Å; D928-R931 IonicContact OD1-NH1 3.25Å; D928-R931 PolarHBondContact OD1-NH1 2.97Å; V929-R931 VanDerWaalsContact C-N 3.33Å; V929-R931 PolarHBondContact O-N 2.64Å; R931-R934 PolarHBondContact O-N 2.67Å; R931-S935 WeakPolarHBondContact O-CB 3.4Å; R931-S935 PolarHBondContact O-N 3.44Å; R931-S935 PolarHBondContact O-OG 3.27Å |
| 932 | K | 45.2 | Very low | 44.5 | Very low | 155 Ų | 155 | 108.2 Ų | 108.2 | 67% | 0.674 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 172.7 | -86.6 | -178.1 | 175.6 | 177.2 | 0 | 112 | D928 V929 S935 T936 | D928-K932 WeakPolarHBondContact O-CB 3.45Å; D928-K932 PolarHBondContact O-N 2.94Å; V929-K932 PolarHBondContact O-N 2.89Å; K932-S935 WeakPolarHBondContact CA-OG 3.3Å; K932-S935 PolarHBondContact O-N 3.11Å; K932-S935 PolarHBondContact O-OG 3.06Å; K932-S935 VanDerWaalsContact O-OG 3.12Å; K932-T936 WeakPolarHBondContact O-CB 3.4Å; K932-T936 PolarHBondContact O-N 3.38Å; K932-T936 PolarHBondContact O-OG1 3.38Å |
| 933 | L | 39.6 | Very low | 43.5 | Very low | 115 Ų | 115 | 113 Ų | 113 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.1 | -46.2 | 175.2 | -139.1 | 98.9 | 0 | 0 | 0 | 110.4 | V929 E930 T936 I937 | V929-L933 WeakPolarHBondContact O-CB 3.35Å; V929-L933 PolarHBondContact O-N 3.38Å; E930-L933 PolarHBondContact O-N 2.96Å; L933-T936 PolarHBondContact O-N 3.38Å; L933-I937 VanDerWaalsContact O-CG1 3.31Å; L933-I937 WeakPolarHBondContact O-CG1 3.37Å; L933-I937 PolarHBondContact O-N 2.98Å; L933-I937 VanDerWaalsContact O-N 3.08Å |
| 934 | R | 44.9 | Very low | 42.3 | Very low | 170 Ų | 170 | 114.3 Ų | 114.3 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -37.5 | 177.6 | -73.7 | 179.8 | -177.6 | -110.1 | 3.6 | 113.2 | E930 R931 I937 K938 | E930-R934 WeakPolarHBondContact O-CB 3.47Å; E930-R934 WeakPolarHBondContact O-CG 3.37Å; E930-R934 PolarHBondContact O-N 3.45Å; R931-R934 PolarHBondContact O-N 2.67Å; R934-I937 PolarHBondContact O-N 3.19Å; R934-K938 PolarHBondContact O-N 2.9Å |
| 935 | S | 50.5 | Low | 40.9 | Very low | 64 Ų | 64 | 118 Ų | 118 | 45% | 0.448 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72 | -33.7 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | R931 K932 I937 K938 S939 | R931-S935 WeakPolarHBondContact O-CB 3.4Å; R931-S935 PolarHBondContact O-N 3.44Å; R931-S935 PolarHBondContact O-OG 3.27Å; K932-S935 WeakPolarHBondContact CA-OG 3.3Å; K932-S935 PolarHBondContact O-N 3.11Å; K932-S935 PolarHBondContact O-OG 3.06Å; K932-S935 VanDerWaalsContact O-OG 3.12Å; S935-I937 VanDerWaalsContact C-N 3.35Å; S935-K938 PolarHBondContact O-N 3.25Å; S935-S939 WeakPolarHBondContact O-CB 3.38Å; S935-S939 PolarHBondContact O-N 2.93Å; S935-S939 PolarHBondContact O-OG 3.02Å |
| 936 | T | 40.7 | Very low | 40.2 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.4 | -38 | 173.2 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | K932 L933 S939 N940 | K932-T936 WeakPolarHBondContact O-CB 3.4Å; K932-T936 PolarHBondContact O-N 3.38Å; K932-T936 PolarHBondContact O-OG1 3.38Å; L933-T936 PolarHBondContact O-N 3.38Å; T936-S939 PolarHBondContact O-OG 3.32Å; T936-N940 PolarHBondContact O-ND2 3.37Å |
| 937 | I | 43.1 | Very low | 39.3 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 53% | 0.528 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.6 | -39.2 | 174.2 | -65.6 | 166 | 0 | 0 | 0 | 111.1 | L933 R934 S935 | L933-I937 VanDerWaalsContact O-CG1 3.31Å; L933-I937 WeakPolarHBondContact O-CG1 3.37Å; L933-I937 PolarHBondContact O-N 2.98Å; L933-I937 VanDerWaalsContact O-N 3.08Å; R934-I937 PolarHBondContact O-N 3.19Å; S935-I937 VanDerWaalsContact C-N 3.35Å |
| 938 | K | 45.9 | Very low | 38 | Very low | 170 Ų | 170 | 138 Ų | 138 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -75.2 | -32.9 | 179.5 | -78.1 | -172.3 | 175.9 | -174.3 | 0 | 114.2 | R934 S935 N940 | R934-K938 PolarHBondContact O-N 2.9Å; S935-K938 PolarHBondContact O-N 3.25Å; K938-N940 VanDerWaalsContact C-N 3.31Å; K938-N940 PolarHBondContact O-N 3.27Å |
| 939 | S | 41.3 | Very low | 36.8 | Very low | 76 Ų | 76 | 144 Ų | 144 | 53% | 0.531 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -71.9 | -26.9 | 179.7 | 67.1 | 0 | 0 | 0 | 0 | 112.6 | S935 T936 Y941 | S935-S939 WeakPolarHBondContact O-CB 3.38Å; S935-S939 PolarHBondContact O-N 2.93Å; S935-S939 PolarHBondContact O-OG 3.02Å; T936-S939 PolarHBondContact O-OG 3.32Å; S939-Y941 VanDerWaalsContact C-N 3.28Å; S939-Y941 PolarHBondContact O-N 3.4Å |
| 940 | N | 35 | Very low | 36 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 64% | 0.642 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -10.9 | 179.3 | -79.1 | -21.6 | 0 | 0 | 0 | 114.7 | T936 K938 | T936-N940 PolarHBondContact O-ND2 3.37Å; K938-N940 VanDerWaalsContact C-N 3.31Å; K938-N940 PolarHBondContact O-N 3.27Å |
| 941 | Y | 32.8 | Very low | 35.2 | Very low | 213 Ų | 213 | 147.3 Ų | 147.3 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -1.8 | -179.9 | -87 | -80.2 | 0 | 0 | 0 | 116 | S939 | S939-Y941 VanDerWaalsContact C-N 3.28Å; S939-Y941 PolarHBondContact O-N 3.4Å |
| 942 | S | 32.9 | Very low | 33.8 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -118.6 | 23.2 | -171.5 | -141.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 943 | K | 29.9 | Very low | 32.8 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -126.3 | 5.3 | 178.3 | -86.7 | -172.6 | 177.6 | 179.7 | 0 | 117.6 | ||
| 944 | N | 27.3 | Very low | 32 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | trans | -111.3 | 61.2 | -174.7 | -77.9 | -20.8 | 0 | 0 | 0 | 114.4 | ||||
| 945 | I | 24.6 | Very low | 31.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -143.2 | 88.6 | 159.6 | -53.3 | 178.2 | 0 | 0 | 0 | 108.6 | ||||
| 946 | H | 29.7 | Very low | 30.5 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | trans | -169.1 | 104.3 | 139.9 | -95 | -53.5 | 0 | 0 | 0 | 111.3 | ||||
| 947 | K | 25.1 | Very low | 29.9 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 10.6 | 119.5 | 145 | -63.4 | 174.8 | 178.6 | 175.5 | 0 | 117.1 | ||||
| 948 | K | 25.5 | Very low | 29.1 | Very low | 210 Ų | 210 | 149.1 Ų | 149.1 | 91% | 0.913 | 78% | 0.783 | S | S | * | * | -168.3 | 127.3 | 112.5 | -104.5 | 170.4 | -177.1 | -179.5 | 0 | 111.7 | |||||
| 949 | K | 21 | Very low | 28.1 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -65.8 | 138.7 | 171.3 | -64.5 | 170.7 | 171.1 | -179 | 0 | 109.7 | ||||
| 950 | H | 25.8 | Very low | 27.5 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | -171.5 | 154.2 | 128.6 | -97.9 | -69 | 0 | 0 | 0 | 110.1 | |||||
| 951 | P | 26 | Very low | 26.9 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 62% | 0.617 | 80% | 0.804 | S | S | * | * | trans | -104 | 143.5 | -142 | 37.8 | -33.6 | 0 | 0 | 0 | 115.2 | ||||
| 952 | I | 22.1 | Very low | 26.5 | Very low | 167 Ų | 167 | 146.5 Ų | 146.5 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | 25.8 | 99.2 | 127.4 | -47.9 | 174.3 | 0 | 0 | 0 | 115.1 | |||||
| 953 | T | 25 | Very low | 26 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -119.7 | 130.2 | 152.1 | 44.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 954 | S | 23.7 | Very low | 25.6 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -66 | 144.3 | -174.6 | 46.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 955 | P | 32.7 | Very low | 25.3 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | trans | -100.1 | 133 | 148.3 | 18.9 | -2.4 | 0 | 0 | 0 | 111 | ||||
| 956 | P | 29.9 | Very low | 25.2 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -87.9 | 174.7 | 177.1 | 37.2 | -33.7 | 0 | 0 | 0 | 112.7 | ||||
| 957 | P | 28.7 | Very low | 24.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -106.2 | 166.8 | -157.7 | 39.6 | -31.5 | 0 | 0 | 0 | 114.2 | ||||
| 958 | S | 26.6 | Very low | 24.8 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -172.5 | 130 | 139.1 | 19.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 959 | S | 23.5 | Very low | 24.6 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -50.7 | 176.5 | 158.5 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 960 | P | 29.7 | Very low | 24.8 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | cis | -145.6 | 157.8 | 24.7 | 37.3 | -14.6 | 0 | 0 | 0 | 119 | ||||
| 961 | S | 23.2 | Very low | 24.6 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -83.4 | 135.9 | 163 | 37.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 962 | L | 23 | Very low | 24.5 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | -95.5 | 135.4 | 169.5 | -139.6 | 86.5 | 0 | 0 | 0 | 109.4 | ||||
| 963 | S | 22.6 | Very low | 24.4 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | -111.8 | 175.4 | -175.5 | 53 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 964 | S | 23 | Very low | 24.3 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 103.3 | 107.1 | 162 | 78.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 965 | L | 20.5 | Very low | 24.3 | Very low | 176 Ų | 176 | 130.6 Ų | 130.6 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -176 | 74.8 | 134.3 | -95.5 | 161.1 | 0 | 0 | 0 | 108.1 | ||||
| 966 | T | 21.6 | Very low | 23.8 | Very low | 143 Ų | 143 | 134 Ų | 134 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -146.5 | 113.2 | 165 | 45.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 967 | S | 22.9 | Very low | 23.6 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -168.5 | 111.3 | 160.7 | 54.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 968 | N | 23.4 | Very low | 23.4 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -165.8 | 105.1 | 130.5 | -101.9 | -9.1 | 0 | 0 | 0 | 110.2 | ||||
| 969 | N | 22.1 | Very low | 23.2 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -75.2 | 144.7 | 157.2 | -75.9 | -31.9 | 0 | 0 | 0 | 108.8 | ||||
| 970 | N | 24 | Very low | 23.2 | Very low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | 175.3 | 113.6 | 126.4 | -93.9 | -20.5 | 0 | 0 | 0 | 114.2 | |||||
| 971 | S | 21.7 | Very low | 22.9 | Very low | 91 Ų | 91 | 138 Ų | 138 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | 71.9 | 143 | 119.3 | 77.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 972 | K | 25.3 | Very low | 22.9 | Very low | 185 Ų | 185 | 141.8 Ų | 141.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 93.7 | 97.2 | 157.2 | -61.4 | 177.6 | 180 | 178.7 | 0 | 115.6 | ||||
| 973 | S | 19.2 | Very low | 23 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | 61.3 | 110.1 | 77.3 | 75.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 974 | T | 23.4 | Very low | 23.1 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | 166.5 | 136.8 | 120.1 | 38.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 975 | N | 24.1 | Very low | 23.4 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | 72.2 | 102.5 | 153.9 | -55.7 | -12.6 | 0 | 0 | 0 | 117.4 | ||||
| 976 | Q | 21.9 | Very low | 23.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | 44.5 | 93.4 | 66.1 | -86.9 | -167 | 4.7 | 0 | 0 | 115.2 | |||||
| 977 | V | 25.1 | Very low | 23.7 | Very low | 155 Ų | 155 | 147 Ų | 147 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -153.3 | 103.2 | 134 | -179.9 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 978 | G | 24.5 | Very low | 23.8 | Very low | 71 Ų | 71 | 150.7 Ų | 150.7 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | 108.5 | 72 | 87.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 979 | S | 21.7 | Very low | 24.1 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -102 | 104.6 | 174.8 | 53 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 980 | T | 23.7 | Very low | 24.2 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -95.1 | 115.1 | 165.1 | 37.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 981 | Q | 23.3 | Very low | 24.4 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -64.5 | 126.7 | 164.8 | -68.5 | 168.4 | -39.8 | 0 | 0 | 108.9 | ||||
| 982 | E | 24.3 | Very low | 24.6 | Very low | 196 Ų | 196 | 156.9 Ų | 156.9 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -136.9 | 109.7 | 149.9 | -104.1 | -178.5 | 177.1 | 0 | 0 | 107.8 | ||||
| 983 | E | 23.8 | Very low | 24.7 | Very low | 162 Ų | 162 | 157.6 Ų | 157.6 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | trans | -70.7 | 160.5 | 171.4 | -66 | 175.4 | 141.3 | 0 | 0 | 110.9 | ||||
| 984 | N | 25.6 | Very low | 25 | Very low | 137 Ų | 137 | 162.1 Ų | 162.1 | 73% | 0.733 | 84% | 0.835 | S | S | * | * | trans | 78.9 | 92 | 156.5 | -54.7 | -37.5 | 0 | 0 | 0 | 118 | ||||
| 985 | K | 28.8 | Very low | 25.1 | Very low | 216 Ų | 216 | 161.6 Ų | 161.6 | 94% | 0.939 | 83% | 0.832 | S | S | * | * | trans | -159.7 | 76.2 | 137.2 | -106.8 | 163.2 | -170.5 | 177.4 | 0 | 110.6 | D987 | K985-D987 PolarHBondContact O-N 3.2Š| ||
| 986 | I | 23.9 | Very low | 25 | Very low | 162 Ų | 162 | 159.9 Ų | 159.9 | 83% | 0.831 | 83% | 0.831 | S | S | * | * | trans | -81.7 | 98.9 | 159 | -65.1 | 169.3 | 0 | 0 | 0 | 105.5 | ||||
| 987 | D | 24.5 | Very low | 25.2 | Very low | 144 Ų | 144 | 158.9 Ų | 158.9 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 176.3 | 71.4 | 155.6 | -94.9 | -20.1 | 0 | 0 | 0 | 109.2 | K985 | K985-D987 PolarHBondContact O-N 3.2Š| ||
| 988 | H | 26.6 | Very low | 25.1 | Very low | 187 Ų | 187 | 157.3 Ų | 157.3 | 87% | 0.866 | 82% | 0.817 | S | S | * | * | trans | -171.5 | 50.2 | 161.1 | -108.1 | -66.2 | 0 | 0 | 0 | 113.5 | ||||
| 989 | I | 28 | Very low | 25.1 | Very low | 167 Ų | 167 | 159.7 Ų | 159.7 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -132.3 | 28.6 | 173.5 | -51.2 | 178.8 | 0 | 0 | 0 | 113 | ||
| 990 | I | 25.9 | Very low | 25.1 | Very low | 167 Ų | 167 | 164.2 Ų | 164.2 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -129.5 | 36.6 | 175.7 | -45.5 | -179.4 | 0 | 0 | 0 | 113.1 | ||
| 991 | K | 26.9 | Very low | 25 | Very low | 189 Ų | 189 | 162.3 Ų | 162.3 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -129.9 | -5.6 | 171.2 | -81 | -169 | 176.5 | 176.4 | 0 | 118.8 | ||
| 992 | D | 27.2 | Very low | 25.1 | Very low | 157 Ų | 157 | 160 Ų | 160 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -106 | 20.5 | -173.8 | -75.8 | -14.3 | 0 | 0 | 0 | 116.7 | ||
| 993 | K | 26.5 | Very low | 25.1 | Very low | 200 Ų | 200 | 161.3 Ų | 161.3 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -105.1 | 6.9 | 175.8 | -96.3 | -174.3 | 177.6 | -179.8 | 0 | 116.8 | ||
| 994 | F | 24.7 | Very low | 25.2 | Very low | 194 Ų | 194 | 161 Ų | 161 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -130.5 | 64.1 | 175.9 | -77.2 | -80.1 | 0 | 0 | 0 | 112.2 | ||||
| 995 | T | 26.6 | Very low | 25.3 | Very low | 110 Ų | 110 | 162.6 Ų | 162.6 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -117.6 | 104.3 | 152.3 | 51.7 | 0 | 0 | 0 | 0 | 107.2 | H997 | T995-H997 PolarHBondContact O-N 2.64Š| ||
| 996 | S | 22.6 | Very low | 25.1 | Very low | 109 Ų | 109 | 158.2 Ų | 158.2 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -60.4 | 111.4 | 169.5 | 45.2 | 0 | 0 | 0 | 0 | 107.4 | V998 | S996-V998 PolarHBondContact O-N 3.41Š| ||
| 997 | H | 24.7 | Very low | 25.2 | Very low | 171 Ų | 171 | 160.1 Ų | 160.1 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -61.5 | 88.6 | 167.7 | -71.2 | -65.5 | 0 | 0 | 0 | 108.3 | T995 V999 | T995-H997 PolarHBondContact O-N 2.64Å; H997-V999 PolarHBondContact O-N 3.29Å | ||
| 998 | V | 23.6 | Very low | 25.3 | Very low | 122 Ų | 122 | 156.7 Ų | 156.7 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | trans | -65.9 | 96.3 | 158.8 | 176.8 | 0 | 0 | 0 | 0 | 104.7 | S996 R1000 | S996-V998 PolarHBondContact O-N 3.41Å; V998-R1000 VanDerWaalsContact C-N 3.29Å; V998-R1000 PolarHBondContact O-N 3.36Å | ||
| 999 | V | 23.6 | Very low | 25.3 | Very low | 121 Ų | 121 | 154 Ų | 154 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -57.8 | 95.7 | 172.4 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | H997 C1001 | H997-V999 PolarHBondContact O-N 3.29Å; V999-C1001 PolarHBondContact O-N 3.01Å | ||
| 1000 | R | 21.9 | Very low | 25.1 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | trans | -68 | 112.5 | 159.3 | -97.2 | -179.5 | 171.2 | 153 | -2 | 105 | V998 D1002 | V998-R1000 VanDerWaalsContact C-N 3.29Å; V998-R1000 PolarHBondContact O-N 3.36Å; R1000-D1002 PolarHBondContact O-N 3.26Å | ||
| 1001 | C | 22.4 | Very low | 25.2 | Very low | 104 Ų | 104 | 150.9 Ų | 150.9 | 70% | 0.703 | 80% | 0.795 | S | S | * | * | trans | -65 | 95.1 | 165.3 | -60.1 | 0 | 0 | 0 | 0 | 107 | V999 Y1003 | V999-C1001 PolarHBondContact O-N 3.01Å; C1001-Y1003 PolarHBondContact O-N 3.19Å; C1001-Y1003 VanDerWaalsContact O-N 3.14Å | ||
| 1002 | D | 24.5 | Very low | 25.3 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -64.9 | 107.8 | 167.8 | -70.1 | -37.6 | 0 | 0 | 0 | 106.8 | R1000 D1004 | R1000-D1002 PolarHBondContact O-N 3.26Å; D1002-D1004 VanDerWaalsContact C-N 3.3Å; D1002-D1004 PolarHBondContact O-N 3.49Å | ||
| 1003 | Y | 24.2 | Very low | 25.1 | Very low | 224 Ų | 224 | 149.1 Ų | 149.1 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -69.2 | 94.3 | 168.4 | -93.5 | -96.2 | 0 | 0 | 0 | 107 | C1001 M1005 | C1001-Y1003 PolarHBondContact O-N 3.19Å; C1001-Y1003 VanDerWaalsContact O-N 3.14Å; Y1003-M1005 PolarHBondContact O-N 2.95Å | ||
| 1004 | D | 26.4 | Very low | 25.3 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 116.4 | 168.7 | -82.6 | -36 | 0 | 0 | 0 | 109.3 | D1002 | D1002-D1004 VanDerWaalsContact C-N 3.3Å; D1002-D1004 PolarHBondContact O-N 3.49Å |
| 1005 | M | 27.5 | Very low | 25.4 | Very low | 170 Ų | 170 | 144.9 Ų | 144.9 | 84% | 0.837 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 129.2 | 176.6 | -169 | 166.4 | 68.8 | 0 | 0 | 108.2 | Y1003 E1007 | Y1003-M1005 PolarHBondContact O-N 2.95Å; M1005-E1007 PolarHBondContact O-N 3.35Å |
| 1006 | P | 25.4 | Very low | 25.4 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 127.3 | -174.2 | 20.7 | -28.5 | 0 | 0 | 0 | 112.2 | ||
| 1007 | E | 26.2 | Very low | 25.7 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 94% | 0.939 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 130.6 | 173.3 | -65.6 | 178.3 | 154.3 | 0 | 0 | 110.8 | M1005 | M1005-E1007 PolarHBondContact O-N 3.35Š|
| 1008 | G | 26.5 | Very low | 26 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | 156.6 | 60.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1009 | V | 26.1 | Very low | 26.3 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 78% | 0.782 | 81% | 0.81 | S | S | * | * | trans | -149.7 | 108.1 | 143.9 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | M1011 | V1009-M1011 HydrophobicContact CG1-CG 4.42Š| ||
| 1010 | S | 24.5 | Very low | 26.6 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -68.7 | 120.9 | 167.3 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1011 | M | 28 | Very low | 27.2 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -120.4 | 127.5 | 167.3 | -83.3 | -64.5 | -27.2 | 0 | 0 | 109 | V1009 | V1009-M1011 HydrophobicContact CG1-CG 4.42Š| ||
| 1012 | D | 27.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 78% | 0.775 | 82% | 0.816 | S | S | * | * | trans | -61.9 | 152.3 | -175.1 | -66.2 | -54.1 | 0 | 0 | 0 | 114.1 | E1014 | D1012-E1014 PolarHBondContact O-N 2.82Š| ||
| 1013 | N | 24.7 | Very low | 28.2 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | -59 | 115.7 | -179.9 | -61.5 | -64.6 | 0 | 0 | 0 | 113.4 | ||||
| 1014 | E | 29 | Very low | 28.8 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -132.3 | 150.3 | 151.6 | -78.6 | -168.2 | 166.3 | 0 | 0 | 110.8 | D1012 | D1012-E1014 PolarHBondContact O-N 2.82Š| ||
| 1015 | S | 27.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | trans | -79.6 | 170.9 | -151.3 | -38.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1016 | P | 26.5 | Very low | 29.1 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -90 | 126.7 | -155.7 | 35.1 | -31.3 | 0 | 0 | 0 | 113.2 | ||||
| 1017 | S | 29.6 | Very low | 29.3 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -134.5 | 121.5 | 161.3 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1018 | D | 30.6 | Very low | 29.4 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | 52.7 | 110.1 | 165.2 | -58.4 | -26.3 | 0 | 0 | 0 | 118.8 | E1020 | D1018-E1020 PolarHBondContact O-N 3.21Š| ||
| 1019 | T | 29.5 | Very low | 29.5 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 93% | 0.933 | 75% | 0.746 | S | S | * | * | trans | -61.4 | 92.8 | -179.7 | 48.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1020 | E | 31.2 | Very low | 29.6 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -86.6 | 123.4 | 166.4 | -73.2 | -172.3 | 161.7 | 0 | 0 | 110.7 | D1018 A1022 | D1018-E1020 PolarHBondContact O-N 3.21Å; E1020-A1022 PolarHBondContact O-N 3.42Å; E1020-A1022 VanDerWaalsContact O-N 3.1Å | ||
| 1021 | N | 33.8 | Very low | 29.7 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | -72.6 | 101 | -175 | -178.4 | 3.9 | 0 | 0 | 0 | 111 | N1023 D1024 | N1021-N1023 PolarHBondContact O-N 3.5Å; N1021-N1023 PolarHBondContact OD1-N 3.4Å; N1021-D1024 PolarHBondContact O-N 2.93Å | ||
| 1022 | A | 34.7 | Very low | 29.7 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -6.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E1020 | E1020-A1022 PolarHBondContact O-N 3.42Å; E1020-A1022 VanDerWaalsContact O-N 3.1Å |
| 1023 | N | 33.1 | Very low | 29.7 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 9.8 | 179.6 | -79.4 | -28.7 | 0 | 0 | 0 | 115 | N1021 P1025 | N1021-N1023 PolarHBondContact O-N 3.5Å; N1021-N1023 PolarHBondContact OD1-N 3.4Å; N1023-P1025 VanDerWaalsContact O-CD 3.25Å; N1023-P1025 WeakPolarHBondContact O-CD 3.43Å |
| 1024 | D | 37 | Very low | 29.8 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 35% | 0.348 | 70% | 0.699 | S | S | . | * | trans | -74.3 | 114.5 | 173.6 | -168.2 | -17.2 | 0 | 0 | 0 | 111.7 | N1021 H1026 H1027 | N1021-D1024 PolarHBondContact O-N 2.93Å; D1024-H1026 PolarHBondContact O-N 2.89Å; D1024-H1026 VanDerWaalsContact O-N 3.13Å; D1024-H1026 WeakPolarHBondContact OD1-CB 3.17Å; D1024-H1026 IonicContact OD1-CD2 3.5Å; D1024-H1026 PolarHBondContact OD1-CD2 2.96Å; D1024-H1026 VanDerWaalsContact OD1-CD2 3.24Å; D1024-H1026 IonicContact OD1-CG 3.55Å; D1024-H1026 PolarHBondContact OD1-N 2.65Å; D1024-H1027 PolarHBondContact O-N 3.3Å | ||
| 1025 | P | 28.4 | Very low | 29.8 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 57% | 0.565 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -62.5 | -18.7 | 178.8 | -17.9 | 31.6 | 0 | 0 | 0 | 114 | N1023 H1027 R1028 | N1023-P1025 VanDerWaalsContact O-CD 3.25Å; N1023-P1025 WeakPolarHBondContact O-CD 3.43Å; P1025-H1027 VanDerWaalsContact C-N 3.27Å; P1025-H1027 PolarHBondContact O-N 2.99Å; P1025-R1028 PolarHBondContact O-N 2.8Å |
| 1026 | H | 31.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 129.2 Ų | 129.2 | 44% | 0.435 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -69.3 | -23.8 | -178.5 | -73.2 | -73.5 | 0 | 0 | 0 | 113 | D1024 R1028 L1029 | D1024-H1026 PolarHBondContact O-N 2.89Å; D1024-H1026 VanDerWaalsContact O-N 3.13Å; D1024-H1026 WeakPolarHBondContact OD1-CB 3.17Å; D1024-H1026 IonicContact OD1-CD2 3.5Å; D1024-H1026 PolarHBondContact OD1-CD2 2.96Å; D1024-H1026 VanDerWaalsContact OD1-CD2 3.24Å; D1024-H1026 IonicContact OD1-CG 3.55Å; D1024-H1026 PolarHBondContact OD1-N 2.65Å; H1026-R1028 VanDerWaalsContact C-N 3.33Å; H1026-R1028 PolarHBondContact O-N 2.98Å; H1026-L1029 PolarHBondContact O-N 3.35Å |
| 1027 | H | 30.1 | Very low | 29.7 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 57% | 0.569 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -76.5 | -19.8 | -179.3 | -125 | -45.2 | 0 | 0 | 0 | 113.9 | D1024 P1025 L1029 N1030 | D1024-H1027 PolarHBondContact O-N 3.3Å; P1025-H1027 VanDerWaalsContact C-N 3.27Å; P1025-H1027 PolarHBondContact O-N 2.99Å; H1027-L1029 PolarHBondContact O-N 3.17Å; H1027-N1030 PolarHBondContact O-N 3.46Å; H1027-N1030 VanDerWaalsContact O-N 3.16Å |
| 1028 | R | 27.6 | Very low | 29.6 | Very low | 217 Ų | 217 | 129.4 Ų | 129.4 | 82% | 0.819 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -66.6 | -17.6 | 175.4 | -80 | -173.2 | 153.8 | 178.8 | -5.1 | 113.5 | P1025 H1026 | P1025-R1028 PolarHBondContact O-N 2.8Å; H1026-R1028 VanDerWaalsContact C-N 3.33Å; H1026-R1028 PolarHBondContact O-N 2.98Å |
| 1029 | L | 27.7 | Very low | 29.4 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -86 | -7 | 175.6 | -74.9 | 168.4 | 0 | 0 | 0 | 114.1 | H1026 H1027 | H1026-L1029 PolarHBondContact O-N 3.35Å; H1027-L1029 PolarHBondContact O-N 3.17Å |
| 1030 | N | 29.4 | Very low | 29.2 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 43% | 0.428 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -100.3 | -0.7 | 179.3 | -92.5 | -0.5 | 0 | 0 | 0 | 115.2 | H1027 V1032 | H1027-N1030 PolarHBondContact O-N 3.46Å; H1027-N1030 VanDerWaalsContact O-N 3.16Å; N1030-V1032 VanDerWaalsContact C-N 3.26Å; N1030-V1032 PolarHBondContact O-N 2.99Å |
| 1031 | I | 26.2 | Very low | 28.8 | Very low | 131 Ų | 131 | 129.4 Ų | 129.4 | 67% | 0.672 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 8 | -167.4 | -69.2 | 175.7 | 0 | 0 | 0 | 115.9 | ||
| 1032 | V | 28.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.5 | 3.8 | 178.9 | -165.7 | 0 | 0 | 0 | 0 | 116 | N1030 | N1030-V1032 VanDerWaalsContact C-N 3.26Å; N1030-V1032 PolarHBondContact O-N 2.99Å |
| 1033 | L | 26.9 | Very low | 27.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -26.7 | -175.5 | -75.9 | 163 | 0 | 0 | 0 | 116.5 | N1035 | L1033-N1035 PolarHBondContact O-N 3.31Š|
| 1034 | D | 27.7 | Very low | 27.3 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 51% | 0.508 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -78.9 | -20.6 | -172.6 | -70.6 | -25 | 0 | 0 | 0 | 114.3 | F1036 I1037 | D1034-F1036 PolarHBondContact O-N 2.81Å; D1034-F1036 VanDerWaalsContact O-N 3.07Å; D1034-I1037 PolarHBondContact O-N 3.3Å |
| 1035 | N | 27.3 | Very low | 26.5 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 81% | 0.807 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -72.2 | 1.6 | 176.7 | -80 | -3.5 | 0 | 0 | 0 | 114.9 | L1033 | L1033-N1035 PolarHBondContact O-N 3.31Š|
| 1036 | F | 26.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -119.3 | -0.3 | 177.2 | -76.2 | -74.1 | 0 | 0 | 0 | 114.9 | D1034 | D1034-F1036 PolarHBondContact O-N 2.81Å; D1034-F1036 VanDerWaalsContact O-N 3.07Å |
| 1037 | I | 27 | Very low | 25.8 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 59% | 0.585 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -92.9 | -9.4 | -176.3 | -63.8 | 179.7 | 0 | 0 | 0 | 113.1 | D1034 | D1034-I1037 PolarHBondContact O-N 3.3Š|
| 1038 | T | 26.5 | Very low | 25.4 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -115.5 | 9.5 | -172.2 | 52.6 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1039 | Q | 25.8 | Very low | 25.1 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 81% | 0.808 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -98.2 | -3.5 | -173.4 | -107.2 | -171.4 | -3.1 | 0 | 0 | 118.8 | ||
| 1040 | D | 25.8 | Very low | 24.7 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -109.8 | 4.9 | -171.5 | -88.6 | -23.8 | 0 | 0 | 0 | 117.9 | ||
| 1041 | N | 23.5 | Very low | 24.5 | Very low | 151 Ų | 151 | 143.6 Ų | 143.6 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -129.4 | 77.2 | 174.6 | -77.4 | -25.2 | 0 | 0 | 0 | 111.6 | ||
| 1042 | N | 25.1 | Very low | 24.2 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | trans | -175.5 | 73.3 | 146.4 | -89.2 | -21.6 | 0 | 0 | 0 | 110.5 | ||||
| 1043 | K | 22.3 | Very low | 24 | Very low | 213 Ų | 213 | 145.5 Ų | 145.5 | 93% | 0.926 | 77% | 0.774 | S | S | * | * | trans | -93.9 | 90.9 | 156.7 | -80.5 | -178 | 179.5 | 172.6 | 0 | 108.1 | ||||
| 1044 | L | 22.7 | Very low | 23.8 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -133.3 | 120.9 | 158.6 | -101.9 | 152 | 0 | 0 | 0 | 108.3 | ||||
| 1045 | S | 19.7 | Very low | 23.7 | Very low | 94 Ų | 94 | 154.7 Ų | 154.7 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | trans | -42.3 | 131.7 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1046 | H | 25.1 | Very low | 23.5 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | trans | -153.6 | 123.8 | 131.3 | -94.5 | -61.2 | 0 | 0 | 0 | 110.8 | ||||
| 1047 | S | 20.3 | Very low | 23.3 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -50.5 | 130.7 | 170.3 | 46.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1048 | I | 22.9 | Very low | 23.2 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -113.4 | 125.5 | 163.5 | -62.8 | 177.1 | 0 | 0 | 0 | 108.3 | ||||
| 1049 | P | 20.5 | Very low | 22.9 | Very low | 104 Ų | 104 | 156.1 Ų | 156.1 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | trans | -87.3 | 141.4 | -174.7 | 34.4 | -33.2 | 0 | 0 | 0 | 112.5 | ||||
| 1050 | S | 19.4 | Very low | 22.8 | Very low | 108 Ų | 108 | 157.1 Ų | 157.1 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | 15.3 | 112.6 | 145.3 | 56.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1051 | Q | 25.1 | Very low | 22.7 | Very low | 198 Ų | 198 | 155 Ų | 155 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -123.6 | 116.4 | 145.4 | -79.2 | -168.3 | -5.6 | 0 | 0 | 110.5 | ||||
| 1052 | Q | 20.6 | Very low | 22.7 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -72.8 | 129.6 | 169.5 | -64.8 | 166.8 | -21.8 | 0 | 0 | 109.1 | ||||
| 1053 | S | 23.8 | Very low | 22.8 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -155.1 | 100.3 | 144.9 | 58.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 1054 | K | 22.9 | Very low | 22.8 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | trans | 41.2 | 87.7 | 131.6 | -60.5 | 178.7 | -179.4 | 175.9 | 0 | 117.6 | ||||
| 1055 | H | 24.9 | Very low | 22.9 | Very low | 197 Ų | 197 | 154 Ų | 154 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -94 | 110.6 | 148 | -101.1 | -63.3 | 0 | 0 | 0 | 109.9 | ||||
| 1056 | S | 23 | Very low | 23 | Very low | 102 Ų | 102 | 154.5 Ų | 154.5 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | trans | -83.3 | 112.8 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1057 | T | 21.5 | Very low | 23 | Very low | 116 Ų | 116 | 152 Ų | 152 | 71% | 0.712 | 82% | 0.818 | S | S | * | * | trans | 22.6 | 104.7 | 132.2 | -40.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1058 | I | 25.4 | Very low | 23.1 | Very low | 170 Ų | 170 | 156.7 Ų | 156.7 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | trans | -128.1 | 108.1 | 140.8 | -64.7 | -176.9 | 0 | 0 | 0 | 109 | ||||
| 1059 | R | 20.6 | Very low | 23.1 | Very low | 215 Ų | 215 | 154.1 Ų | 154.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -80.1 | 130.9 | 167 | -83.8 | 172.4 | 161.4 | 174 | -5.1 | 109.6 | ||||
| 1060 | K | 24.7 | Very low | 23.2 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -154.8 | 96.4 | 139.1 | -73.9 | -164.4 | 179.7 | 172.7 | 0 | 107.2 | ||||
| 1061 | T | 23 | Very low | 23.2 | Very low | 117 Ų | 117 | 154.5 Ų | 154.5 | 72% | 0.718 | 83% | 0.826 | S | S | * | * | 58.7 | 103.6 | 84.6 | 64.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1062 | S | 23.4 | Very low | 23.2 | Very low | 121 Ų | 121 | 154 Ų | 154 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | 163.1 | 151.8 | 136.4 | 46.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1063 | P | 28.1 | Very low | 23.2 | Very low | 125 Ų | 125 | 152.9 Ų | 152.9 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | -119.6 | 163.6 | -121.1 | 30.1 | -12.8 | 0 | 0 | 0 | 116.9 | |||||
| 1064 | K | 22.3 | Very low | 23.3 | Very low | 199 Ų | 199 | 156.9 Ų | 156.9 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -46.3 | 136.1 | 163 | -66.1 | 171.3 | 174.4 | 175.1 | 0 | 113.1 | ||||
| 1065 | K | 23.7 | Very low | 23.2 | Very low | 218 Ų | 218 | 155.7 Ų | 155.7 | 95% | 0.948 | 82% | 0.816 | S | S | * | * | trans | -125 | 112.9 | 137.9 | -97.7 | -175 | 178.7 | 178.7 | 0 | 109.3 | ||||
| 1066 | S | 22.4 | Very low | 23.1 | Very low | 106 Ų | 106 | 153.5 Ų | 153.5 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -87.9 | 136.4 | 169.6 | 48.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1067 | S | 23.9 | Very low | 23.1 | Very low | 125 Ų | 125 | 155.5 Ų | 155.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -133.7 | 109.6 | 153 | 47.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1068 | K | 22.6 | Very low | 23.1 | Very low | 207 Ų | 207 | 159.3 Ų | 159.3 | 90% | 0.9 | 82% | 0.82 | S | S | * | * | trans | -91.1 | 136.7 | 170.7 | -78.2 | 175.9 | 171.1 | 177.8 | 0 | 108.5 | ||||
| 1069 | S | 23.5 | Very low | 23 | Very low | 109 Ų | 109 | 160.7 Ų | 160.7 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | trans | -149.6 | 100.3 | 149.6 | 57.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1070 | S | 21.6 | Very low | 23.1 | Very low | 114 Ų | 114 | 159.8 Ų | 159.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | 36 | 132.6 | 77.9 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1071 | S | 20.3 | Very low | 23 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | cis | 175.8 | 168.9 | -7.7 | -169.7 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1072 | K | 24.3 | Very low | 23.1 | Very low | 186 Ų | 186 | 158.6 Ų | 158.6 | 81% | 0.809 | 83% | 0.827 | S | S | * | * | trans | 85.8 | 104 | 164.7 | -57.9 | 178.8 | 176.8 | 179.5 | 0 | 116.5 | ||||
| 1073 | H | 21.7 | Very low | 23 | Very low | 169 Ų | 169 | 159.7 Ų | 159.7 | 78% | 0.782 | 82% | 0.824 | S | S | * | * | 71.6 | 99.8 | 80.7 | -86.2 | -60.8 | 0 | 0 | 0 | 114.1 | |||||
| 1074 | H | 25.6 | Very low | 22.9 | Very low | 193 Ų | 193 | 161.3 Ų | 161.3 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | -137.6 | 131.9 | 139.1 | -107.9 | -55.4 | 0 | 0 | 0 | 109.6 | ||||
| 1075 | K | 20.9 | Very low | 23 | Very low | 182 Ų | 182 | 160.1 Ų | 160.1 | 79% | 0.791 | 82% | 0.823 | S | S | * | * | trans | -135.8 | 117.9 | -172.8 | -162.3 | -169.5 | -163.4 | -176.3 | 0 | 104.5 | ||||
| 1076 | L | 22.3 | Very low | 23 | Very low | 150 Ų | 150 | 158.5 Ų | 158.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 172.8 | 141.6 | 170.6 | -95 | 140.3 | 0 | 0 | 0 | 105.4 | ||||
| 1077 | N | 22.9 | Very low | 23 | Very low | 145 Ų | 145 | 161 Ų | 161 | 78% | 0.775 | 82% | 0.823 | S | S | * | * | cis | -157.5 | 160 | -17.2 | -141.6 | -2.1 | 0 | 0 | 0 | 106.6 | ||||
| 1078 | K | 21.2 | Very low | 23 | Very low | 195 Ų | 195 | 160.8 Ų | 160.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -70.5 | 133.9 | 178.6 | -71.8 | 166.1 | 169.9 | 170.1 | 0 | 111.7 | ||||
| 1079 | E | 25.1 | Very low | 22.9 | Very low | 200 Ų | 200 | 158.5 Ų | 158.5 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -118.8 | 122.1 | 153.5 | -78.3 | -175.1 | 161 | 0 | 0 | 109.2 | ||||
| 1080 | K | 21.4 | Very low | 22.9 | Very low | 196 Ų | 196 | 161.2 Ų | 161.2 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | trans | -125.1 | 111.8 | 172.8 | -98.7 | -172.7 | 171.5 | -171.7 | 0 | 104.9 | ||||
| 1081 | V | 23.5 | Very low | 23 | Very low | 139 Ų | 139 | 160.9 Ų | 160.9 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | trans | -148.8 | 121 | 158.5 | 178.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1082 | N | 23.5 | Very low | 23 | Very low | 145 Ų | 145 | 164.2 Ų | 164.2 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | 45.7 | 118.6 | 150.7 | -78.8 | -6.9 | 0 | 0 | 0 | 124.4 | ||||
| 1083 | N | 21.7 | Very low | 22.9 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | trans | -50.3 | 134.5 | 139.5 | -62.4 | -29.9 | 0 | 0 | 0 | 112.1 | ||||
| 1084 | N | 26 | Very low | 22.9 | Very low | 159 Ų | 159 | 157.9 Ų | 157.9 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | -132.3 | 112.7 | 150.6 | -97 | -15.9 | 0 | 0 | 0 | 108.5 | ||||
| 1085 | H | 24.1 | Very low | 22.8 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -73.2 | 128.1 | 163.8 | -85.6 | -84.7 | 0 | 0 | 0 | 108.4 | ||||
| 1086 | Q | 25.3 | Very low | 22.8 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -138.1 | 105.6 | 159.9 | -140.7 | 161.3 | 10.7 | 0 | 0 | 108.5 | ||||
| 1087 | L | 20.9 | Very low | 23 | Very low | 160 Ų | 160 | 156.9 Ų | 156.9 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -74.7 | 121.2 | 168.9 | -75.4 | 157.5 | 0 | 0 | 0 | 107.3 | ||||
| 1088 | V | 24.6 | Very low | 23 | Very low | 119 Ų | 119 | 155.5 Ų | 155.5 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -121.7 | 104.3 | 164.8 | 179.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1089 | N | 21.5 | Very low | 23 | Very low | 160 Ų | 160 | 152.7 Ų | 152.7 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | -87.6 | 108.9 | 164.4 | -93.6 | -12 | 0 | 0 | 0 | 106.9 | ||||
| 1090 | E | 23.4 | Very low | 22.9 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | trans | -142.1 | 108.8 | 157.7 | -75.3 | -165.9 | 159.5 | 0 | 0 | 110.4 | ||||
| 1091 | S | 22.6 | Very low | 23 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | 57.4 | 108.8 | 119.5 | -44.2 | 0 | 0 | 0 | 0 | 119.7 | S1093 | S1091-S1093 PolarHBondContact O-N 2.9Š| |||
| 1092 | I | 20 | Very low | 22.9 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | trans | -28 | 117.5 | 150.6 | -60.3 | 160 | 0 | 0 | 0 | 112.2 | ||||
| 1093 | S | 23.5 | Very low | 22.9 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -128.9 | 122.3 | 155.8 | 44.3 | 0 | 0 | 0 | 0 | 108.8 | S1091 | S1091-S1093 PolarHBondContact O-N 2.9Š| ||
| 1094 | S | 20.6 | Very low | 23 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -68.8 | 119 | 173.4 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1095 | E | 24.5 | Very low | 22.9 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -119.7 | 102.4 | 152.3 | -82.8 | -173.1 | 162.1 | 0 | 0 | 108.4 | I1097 | E1095-I1097 PolarHBondContact O-N 2.85Š| ||
| 1096 | N | 21.1 | Very low | 22.9 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -66.4 | 113 | 157.4 | -90.1 | -20.9 | 0 | 0 | 0 | 107.9 | ||||
| 1097 | I | 25.3 | Very low | 22.9 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -127.2 | 120.9 | 144.8 | -64.1 | -177.8 | 0 | 0 | 0 | 107.4 | E1095 | E1095-I1097 PolarHBondContact O-N 2.85Š| ||
| 1098 | N | 22.3 | Very low | 23 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 62% | 0.62 | 76% | 0.76 | S | S | * | * | trans | -68.4 | 159 | -178.2 | -79.6 | -14.8 | 0 | 0 | 0 | 113.4 | ||||
| 1099 | D | 21.9 | Very low | 22.9 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | 64.7 | 110.1 | 144 | -56.2 | -26.5 | 0 | 0 | 0 | 118.5 | ||||
| 1100 | E | 23.7 | Very low | 22.9 | Very low | 172 Ų | 172 | 136.9 Ų | 136.9 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 168.3 | 133.5 | 95.1 | -83.7 | -157.4 | 164.6 | 0 | 0 | 112.2 | |||||
| 1101 | N | 22.9 | Very low | 22.9 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 61% | 0.61 | 75% | 0.754 | S | S | * | * | trans | 69 | 98.1 | 154.9 | -69.4 | -41.7 | 0 | 0 | 0 | 121.4 | L1103 | N1101-L1103 HydrophobicContact CB-CD1 4.33Š| ||
| 1102 | P | 22.8 | Very low | 22.8 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | trans | -86.8 | 97 | 142 | 32.6 | -21.5 | 0 | 0 | 0 | 109.1 | ||||
| 1103 | L | 22.6 | Very low | 23 | Very low | 136 Ų | 136 | 135.1 Ų | 135.1 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | trans | -102.4 | 120.3 | 172.4 | -111.1 | 139.7 | 0 | 0 | 0 | 110.3 | N1101 | N1101-L1103 HydrophobicContact CB-CD1 4.33Š| ||
| 1104 | N | 23.5 | Very low | 22.8 | Very low | 106 Ų | 106 | 141.6 Ų | 141.6 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | trans | 90.2 | 67.9 | 137 | -139.4 | 9 | 0 | 0 | 0 | 118.8 | N1106 | N1104-N1106 VanDerWaalsContact C-N 3.33Å; N1104-N1106 PolarHBondContact O-N 3.22Å; N1104-N1106 VanDerWaalsContact OD1-CB 3.3Å; N1104-N1106 WeakPolarHBondContact OD1-CB 3.45Å; N1104-N1106 PolarHBondContact OD1-ND2 3.09Å | ||
| 1105 | N | 24.7 | Very low | 22.8 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | -87.5 | 75.1 | 144.4 | -88.3 | -17.9 | 0 | 0 | 0 | 108.9 | V1107 | N1105-V1107 PolarHBondContact O-N 3.08Š| ||
| 1106 | N | 24.1 | Very low | 22.6 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | trans | -81.5 | 91.8 | 164.1 | -89.3 | -13 | 0 | 0 | 0 | 108.9 | N1104 T1108 | N1104-N1106 VanDerWaalsContact C-N 3.33Å; N1104-N1106 PolarHBondContact O-N 3.22Å; N1104-N1106 VanDerWaalsContact OD1-CB 3.3Å; N1104-N1106 WeakPolarHBondContact OD1-CB 3.45Å; N1104-N1106 PolarHBondContact OD1-ND2 3.09Å; N1106-T1108 PolarHBondContact O-N 3.38Å | ||
| 1107 | V | 25.2 | Very low | 22.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -61.1 | 94.7 | 153.6 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | N1105 N1109 | N1105-V1107 PolarHBondContact O-N 3.08Å; V1107-N1109 VanDerWaalsContact C-N 3.33Å; V1107-N1109 PolarHBondContact O-N 3.4Å | ||
| 1108 | T | 23.2 | Very low | 22.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 68% | 0.681 | 75% | 0.748 | S | S | * | * | trans | -73.9 | 92.6 | 171.1 | 37.5 | 0 | 0 | 0 | 0 | 107.9 | N1106 T1110 | N1106-T1108 PolarHBondContact O-N 3.38Å; T1108-T1110 PolarHBondContact O-N 3.2Å | ||
| 1109 | N | 21.8 | Very low | 22.6 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -57.2 | 94.7 | 155 | -84.9 | -18.9 | 0 | 0 | 0 | 107.5 | V1107 T1111 | V1107-N1109 VanDerWaalsContact C-N 3.33Å; V1107-N1109 PolarHBondContact O-N 3.4Å; N1109-T1111 PolarHBondContact O-N 3.43Å; N1109-T1111 PolarHBondContact O-OG1 3.13Å | ||
| 1110 | T | 22.2 | Very low | 22.6 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -77.6 | 80.4 | 167.4 | 18.7 | 0 | 0 | 0 | 0 | 107.4 | T1108 C1112 | T1108-T1110 PolarHBondContact O-N 3.2Å; T1110-C1112 PolarHBondContact O-N 3.06Å; T1110-C1112 VanDerWaalsContact O-N 3.08Å | ||
| 1111 | T | 22.5 | Very low | 22.6 | Very low | 115 Ų | 115 | 138 Ų | 138 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | trans | -57.5 | 107.1 | 156.7 | -4.3 | 0 | 0 | 0 | 0 | 106.5 | N1109 H1113 | N1109-T1111 PolarHBondContact O-N 3.43Å; N1109-T1111 PolarHBondContact O-OG1 3.13Å; T1111-H1113 VanDerWaalsContact C-N 3.28Å; T1111-H1113 PolarHBondContact O-N 3.49Å | ||
| 1112 | C | 21.3 | Very low | 22.6 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 86% | 0.858 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 91.3 | 175 | -67.7 | 0 | 0 | 0 | 0 | 108.4 | T1110 R1114 | T1110-C1112 PolarHBondContact O-N 3.06Å; T1110-C1112 VanDerWaalsContact O-N 3.08Å; C1112-R1114 PolarHBondContact O-N 3.3Å | ||
| 1113 | H | 22.6 | Very low | 22.7 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 79% | 0.787 | 75% | 0.746 | S | S | * | * | trans | -70.3 | 118.7 | 165 | -100.5 | -77.4 | 0 | 0 | 0 | 108.8 | T1111 S1115 | T1111-H1113 VanDerWaalsContact C-N 3.28Å; T1111-H1113 PolarHBondContact O-N 3.49Å; H1113-S1115 VanDerWaalsContact C-N 3.34Å; H1113-S1115 PolarHBondContact O-N 3.05Å | ||
| 1114 | R | 19.7 | Very low | 22.8 | Very low | 251 Ų | 251 | 137.6 Ų | 137.6 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -64.8 | 84.7 | 169.8 | -167.5 | -179.6 | -166.7 | 176.6 | 2.6 | 108.7 | C1112 | C1112-R1114 PolarHBondContact O-N 3.3Š| ||
| 1115 | S | 21.4 | Very low | 22.8 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -97.3 | 113.4 | 166 | 63.1 | 0 | 0 | 0 | 0 | 108.8 | H1113 Y1117 | H1113-S1115 VanDerWaalsContact C-N 3.34Å; H1113-S1115 PolarHBondContact O-N 3.05Å; S1115-Y1117 PolarHBondContact O-N 2.63Å | ||
| 1116 | G | 20.4 | Very low | 22.8 | Very low | 76 Ų | 76 | 143.1 Ų | 143.1 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1117 | Y | 23.3 | Very low | 22.7 | Very low | 219 Ų | 219 | 143 Ų | 143 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 123.1 | 162.1 | -94.6 | -88 | 0 | 0 | 0 | 107.9 | S1115 | S1115-Y1117 PolarHBondContact O-N 2.63Š|
| 1118 | E | 23.2 | Very low | 22.4 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.2 | 175.5 | -67.2 | 169.6 | 145.7 | 0 | 0 | 111 | F1120 | E1118-F1120 PolarHBondContact O-N 3.26Š|
| 1119 | A | 20.9 | Very low | 22.5 | Very low | 102 Ų | 102 | 145.9 Ų | 145.9 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65 | 118.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1120 | F | 22.5 | Very low | 22.3 | Very low | 176 Ų | 176 | 149 Ų | 149 | 77% | 0.772 | 78% | 0.782 | S | S | * | * | trans | -118.6 | 114 | 159.6 | -103.8 | -78.2 | 0 | 0 | 0 | 109.3 | E1118 | E1118-F1120 PolarHBondContact O-N 3.26Š| ||
| 1121 | D | 23.5 | Very low | 22.3 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | 45.9 | 107.5 | 148.2 | -94.1 | -33.6 | 0 | 0 | 0 | 121.5 | ||||
| 1122 | S | 23.1 | Very low | 22.1 | Very low | 89 Ų | 89 | 147.7 Ų | 147.7 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | -16.7 | 147 | 125.1 | 24.3 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1123 | D | 25.4 | Very low | 22.1 | Very low | 120 Ų | 120 | 150 Ų | 150 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | trans | 88.9 | 74.1 | 153.9 | -60.4 | -12.7 | 0 | 0 | 0 | 120.2 | H563 | H563-D1123 IonicContact NE2-OD1 3.79Š| ||
| 1124 | I | 23.4 | Very low | 22 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | trans | -136.7 | 87.4 | 141 | -55.4 | -179.5 | 0 | 0 | 0 | 109.7 | ||||
| 1125 | K | 23.3 | Very low | 21.9 | Very low | 194 Ų | 194 | 145.3 Ų | 145.3 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | -100.1 | 97.1 | 158.2 | -83.9 | -179 | 179.3 | 169.6 | 0 | 108.4 | ||||
| 1126 | Q | 24.9 | Very low | 21.8 | Very low | 191 Ų | 191 | 153.1 Ų | 153.1 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | -120 | 99.2 | 156.5 | -97.2 | -179.1 | -6.8 | 0 | 0 | 108.4 | ||||
| 1127 | T | 21.9 | Very low | 21.7 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -90.4 | 151.2 | 166.1 | -50.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1128 | I | 20.9 | Very low | 21.5 | Very low | 149 Ų | 149 | 152.8 Ų | 152.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 90 | 100.6 | 163.7 | -40.2 | 172.8 | 0 | 0 | 0 | 114.5 | ||||
| 1129 | I | 23.5 | Very low | 21.4 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | -165.3 | 118.9 | 102.9 | -83.4 | 156.8 | 0 | 0 | 0 | 107.7 | |||||
| 1130 | F | 19.3 | Very low | 21.3 | Very low | 207 Ų | 207 | 150.2 Ų | 150.2 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 121.7 | 164.1 | -103.3 | -95.4 | 0 | 0 | 0 | 109.1 | ||||
| 1131 | S | 21.4 | Very low | 21.4 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -161 | 110.4 | 150 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1132 | S | 18.2 | Very low | 21.2 | Very low | 107 Ų | 107 | 151 Ų | 151 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -45.3 | 135.5 | 168.2 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1133 | Q | 21.2 | Very low | 21.2 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | 166.9 | 139 | 120.4 | -92 | -178.9 | 11.4 | 0 | 0 | 113.6 | |||||
| 1134 | K | 20.5 | Very low | 21.1 | Very low | 183 Ų | 183 | 154 Ų | 154 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | 71.4 | 94.4 | 149.5 | -85.9 | 176.5 | 171.3 | 171.6 | 0 | 120.1 | R1136 | K1134-R1136 PolarHBondContact O-N 3.06Š| ||
| 1135 | V | 18 | Very low | 21.1 | Very low | 141 Ų | 141 | 153.5 Ų | 153.5 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | 3.6 | 110.2 | 122.5 | -173.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1136 | R | 19.5 | Very low | 21 | Very low | 249 Ų | 249 | 150.5 Ų | 150.5 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | trans | -146 | 133.5 | 143.9 | -142.2 | 173.6 | -173.6 | 176.5 | 0.2 | 111.2 | K1134 | K1134-R1136 PolarHBondContact O-N 3.06Š| ||
| 1137 | S | 18.1 | Very low | 21.1 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | trans | -93.7 | 155.8 | -168 | 52.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1138 | K | 19.9 | Very low | 21.1 | Very low | 199 Ų | 199 | 148.8 Ų | 148.8 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 118.8 | 150.7 | -69.2 | 173.2 | 177.2 | -176.1 | 0 | 118.8 | ||||
| 1139 | S | 20.7 | Very low | 21.2 | Very low | 102 Ų | 102 | 147.8 Ų | 147.8 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | 161.1 | 100.9 | 120 | 56.4 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1140 | S | 19.3 | Very low | 21.4 | Very low | 115 Ų | 115 | 148.5 Ų | 148.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | 37.3 | 101.3 | 93.3 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1141 | L | 23.7 | Very low | 21.5 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -132.7 | 129.8 | 156 | -136 | 82.9 | 0 | 0 | 0 | 109.6 | ||||
| 1142 | N | 19.8 | Very low | 21.7 | Very low | 150 Ų | 150 | 149.5 Ų | 149.5 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | -89.7 | 175.7 | -176 | -110.1 | -15.1 | 0 | 0 | 0 | 111.2 | ||||
| 1143 | S | 22.5 | Very low | 21.8 | Very low | 107 Ų | 107 | 151 Ų | 151 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | 87.3 | 145.2 | 149.5 | 85.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1144 | H | 22.3 | Very low | 21.9 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | cis | -178.7 | 171.6 | -7.7 | -124.1 | 37.1 | 0 | 0 | 0 | 105.7 | ||||
| 1145 | H | 25.1 | Very low | 21.9 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 87.1 | 112.5 | 161.1 | -70.3 | -15 | 0 | 0 | 0 | 117.9 | ||||
| 1146 | N | 21.4 | Very low | 22 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | 80.2 | 111.5 | 66.7 | -81.1 | 4.8 | 0 | 0 | 0 | 112.5 | |||||
| 1147 | N | 25.5 | Very low | 22.2 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | 168.4 | 106.4 | 120 | -91.4 | -5.3 | 0 | 0 | 0 | 111.1 | |||||
| 1148 | D | 22.9 | Very low | 22.4 | Very low | 133 Ų | 133 | 145.8 Ų | 145.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | 49 | 133.9 | 107.5 | -70.8 | -4.4 | 0 | 0 | 0 | 122.6 | |||||
| 1149 | N | 22.8 | Very low | 22.6 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | trans | 82.8 | 109.1 | 143 | -60.9 | -23.7 | 0 | 0 | 0 | 119.2 | ||||
| 1150 | N | 26.9 | Very low | 22.7 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | -176.5 | 127.4 | 95.1 | -93.2 | -40.2 | 0 | 0 | 0 | 113 | |||||
| 1151 | D | 21.7 | Very low | 22.9 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -63.3 | 154.1 | 164 | -68 | -58.2 | 0 | 0 | 0 | 113.5 | ||||
| 1152 | K | 24.8 | Very low | 22.8 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | 167.1 | 107.2 | 141.2 | -93.2 | 164.7 | -171.2 | -175 | 0 | 107.4 | ||||
| 1153 | N | 21.8 | Very low | 22.7 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 102.9 | 138.2 | 72.6 | -97.2 | -1.3 | 0 | 0 | 0 | 110.8 | |||||
| 1154 | E | 21.8 | Very low | 22.7 | Very low | 159 Ų | 159 | 139.8 Ų | 139.8 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | 93.7 | 90.9 | 153.5 | -71.4 | 168.9 | -176.6 | 0 | 0 | 120 | ||||
| 1155 | Q | 21.1 | Very low | 22.5 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | 79.7 | 104.8 | 110.4 | -79.5 | 168.7 | -8.8 | 0 | 0 | 119.5 | |||||
| 1156 | C | 19.6 | Very low | 22.3 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 150.3 | 152.8 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1157 | P | 25.6 | Very low | 22.2 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 121.8 | 146.5 | 30.3 | -18.9 | 0 | 0 | 0 | 110.2 | ||
| 1158 | N | 21.2 | Very low | 21.9 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.4 | 162.7 | -73.1 | -43.1 | 0 | 0 | 0 | 111.8 | ||
| 1159 | S | 23.6 | Very low | 21.7 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 176.8 | 112.1 | 119 | 39.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1160 | S | 23.4 | Very low | 21.7 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 53.9 | 127.5 | 138.6 | 56.8 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1161 | P | 22.8 | Very low | 21.4 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -89.8 | 144.6 | 172.2 | 36.3 | -30.5 | 0 | 0 | 0 | 112 | ||||
| 1162 | L | 21.8 | Very low | 21.5 | Very low | 179 Ų | 179 | 144.8 Ų | 144.8 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | -106.7 | 117.5 | 165.7 | -133.4 | 91.2 | 0 | 0 | 0 | 109.5 | ||||
| 1163 | S | 19.3 | Very low | 21.5 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | -77.4 | 169.9 | 170.5 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1164 | S | 21.4 | Very low | 21.4 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | 93.4 | 106.3 | 152.7 | 55.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1165 | L | 18 | Very low | 21.6 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | 50.6 | 113.4 | 123.7 | -70.4 | 162.5 | 0 | 0 | 0 | 119.1 | |||||
| 1166 | Q | 21.5 | Very low | 21.6 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -159.3 | 119.6 | 128.9 | -130.6 | 153.4 | -38.4 | 0 | 0 | 112.8 | |||||
| 1167 | Y | 18.6 | Very low | 21.9 | Very low | 221 Ų | 221 | 138 Ų | 138 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -71 | 116.9 | 163 | -120 | -99.5 | 0 | 0 | 0 | 107.6 | ||||
| 1168 | C | 20.3 | Very low | 21.8 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -94.6 | 99.6 | 169.7 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | E1170 | C1168-E1170 PolarHBondContact O-N 3.05Š| ||
| 1169 | N | 18.6 | Very low | 22.1 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 106.7 | 158.1 | -88 | -19.3 | 0 | 0 | 0 | 107.7 | S1171 | N1169-S1171 PolarHBondContact O-N 3.26Š| ||
| 1170 | E | 23 | Very low | 22 | Very low | 172 Ų | 172 | 142.3 Ų | 142.3 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -89.6 | 97.8 | 164.9 | -78.9 | -173.1 | 164.5 | 0 | 0 | 109.6 | C1168 I1172 | C1168-E1170 PolarHBondContact O-N 3.05Å; E1170-I1172 PolarHBondContact O-N 3.34Å | ||
| 1171 | S | 19.3 | Very low | 22.2 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 107 | 159.8 | 45.5 | 0 | 0 | 0 | 0 | 109.2 | N1169 | N1169-S1171 PolarHBondContact O-N 3.26Š| ||
| 1172 | I | 25.2 | Very low | 22.4 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 127.9 | 164.3 | -66.1 | 176.6 | 0 | 0 | 0 | 108.8 | E1170 | E1170-I1172 PolarHBondContact O-N 3.34Š|
| 1173 | S | 22.8 | Very low | 23.1 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 151.3 | -171.6 | 49.2 | 0 | 0 | 0 | 0 | 115 | ||
| 1174 | S | 20.2 | Very low | 24.4 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 135.6 | 167 | 52.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1175 | S | 25.5 | Very low | 26.3 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -138.3 | 128 | 148.9 | 56 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1176 | N | 20.9 | Very low | 29 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | -69.9 | 143.8 | 178.5 | -71.7 | -33 | 0 | 0 | 0 | 111.6 | ||||
| 1177 | N | 26.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | 178 | 118.7 | 127.1 | -92.4 | -7.1 | 0 | 0 | 0 | 111.5 | |||||
| 1178 | D | 23.8 | Very low | 34.8 | Very low | 136 Ų | 136 | 119.6 Ų | 119.6 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | 32.7 | 107.6 | 138.6 | -55.4 | -24.9 | 0 | 0 | 0 | 119.7 | ||||
| 1179 | N | 27.5 | Very low | 37.2 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | 174.9 | 115.3 | 110.2 | -88.4 | -45.3 | 0 | 0 | 0 | 110 | S1181 | N1179-S1181 PolarHBondContact O-N 2.9Š| |||
| 1180 | I | 22.2 | Very low | 39.4 | Very low | 186 Ų | 186 | 113 Ų | 113 | 95% | 0.954 | 65% | 0.647 | S | S | * | * | trans | -64.6 | 102.8 | 175.1 | -63.5 | 165.1 | 0 | 0 | 0 | 108.1 | ||||
| 1181 | S | 26.7 | Very low | 40.7 | Very low | 99 Ų | 99 | 110.5 Ų | 110.5 | 69% | 0.692 | 65% | 0.649 | S | S | * | * | trans | -125.9 | 132.6 | 163.3 | 55 | 0 | 0 | 0 | 0 | 107.8 | N1179 | N1179-S1181 PolarHBondContact O-N 2.9Š| ||
| 1182 | T | 28 | Very low | 42.5 | Very low | 120 Ų | 120 | 108.4 Ų | 108.4 | 74% | 0.736 | 63% | 0.634 | S | S | * | * | trans | -45.4 | 141.9 | 177.7 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | E1184 | T1182-E1184 PolarHBondContact O-N 2.93Š| ||
| 1183 | P | 34.7 | Very low | 44.3 | Very low | 120 Ų | 120 | 108.3 Ų | 108.3 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | trans | -59.3 | 114.8 | -177.1 | 26.5 | -32.5 | 0 | 0 | 0 | 108.5 | T1185 | P1183-T1185 PolarHBondContact O-N 3.22Š| ||
| 1184 | E | 47.5 | Very low | 46.9 | Very low | 137 Ų | 137 | 104.3 Ų | 104.3 | 64% | 0.64 | 60% | 0.604 | S | S | * | * | trans | -58.7 | 109.2 | 175.1 | -70.1 | -176.8 | 150.8 | 0 | 0 | 108.3 | T1182 K1186 | T1182-E1184 PolarHBondContact O-N 2.93Å; E1184-K1186 HydrophobicContact CB-CG 4.3Å; E1184-K1186 PolarHBondContact O-N 2.76Å; E1184-K1186 WeakPolarHBondContact OE2-CE 3.31Å; E1184-K1186 IonicContact OE2-NZ 3.86Å; E1184-K1186 PolarHBondContact OE2-NZ 2.76Å | ||
| 1185 | T | 61.3 | Low | 49.6 | Very low | 66 Ų | 66 | 102.2 Ų | 102.2 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | trans | -65.4 | 101.2 | 172.2 | 40.1 | 0 | 0 | 0 | 0 | 108.9 | P1183 Y1272 S1306 | P1183-T1185 PolarHBondContact O-N 3.22Å; T1185-Y1272 HydrophobicContact CG2-CE2 4.21Å; T1185-S1306 WeakPolarHBondContact CG2-OG 3.49Å | ||
| 1186 | K | 73.6 | Confident | 52.1 | Low | 108 Ų | 108 | 99.5 Ų | 99.5 | 47% | 0.47 | 56% | 0.562 | S | S | . | * | trans | -104.2 | 139.9 | 178.3 | -62.7 | 178.7 | 175.5 | 165 | 0 | 110.9 | E1184 I1273 | E1184-K1186 HydrophobicContact CB-CG 4.3Å; E1184-K1186 PolarHBondContact O-N 2.76Å; E1184-K1186 WeakPolarHBondContact OE2-CE 3.31Å; E1184-K1186 IonicContact OE2-NZ 3.86Å; E1184-K1186 PolarHBondContact OE2-NZ 2.76Å; K1186-I1273 HydrophobicContact CB-CB 3.99Å; K1186-I1273 HydrophobicContact CB-CD1 3.39Å; K1186-I1273 HydrophobicContact CB-CG1 3.98Å; K1186-I1273 VanDerWaalsContact O-CB 3.26Å; K1186-I1273 WeakPolarHBondContact O-CB 3.36Å; K1186-I1273 WeakPolarHBondContact O-CG1 3.32Å; K1186-I1273 PolarHBondContact O-N 3.27Å | ||
| 1187 | F | 80.5 | Confident | 55 | Low | 15 Ų | 15 | 98.1 Ų | 98.1 | 7% | 0.066 | 56% | 0.555 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.7 | 149.1 | 176 | -64.5 | -87.9 | 0 | 0 | 0 | 109.5 | I1253 P1254 T1270 E1271 Y1272 I1273 L1279 C1307 H1310 | F1187-I1253 HydrophobicContact CB-CG2 4.19Å; F1187-I1253 HydrophobicContact CG-CG2 4.21Å; F1187-P1254 VanDerWaalsContact C-CG 3.48Å; F1187-P1254 HydrophobicContact CB-CG 4.16Å; F1187-P1254 WeakPolarHBondContact O-CG 3.42Å; F1187-T1270 HydrophobicContact CD1-CG2 4.33Å; F1187-E1271 CarbonylContact C-O 3.13Å; F1187-E1271 WeakPolarHBondContact CA-O 3.44Å; F1187-Y1272 HydrophobicContact CD1-CD2 4.03Å; F1187-Y1272 AromaticContact CE1-CD2 3.58Å; F1187-Y1272 HydrophobicContact CE1-CD2 3.58Å; F1187-Y1272 HydrophobicContact CE1-CE2 4.32Å; F1187-Y1272 HydrophobicContact CE1-CG 4.49Å; F1187-Y1272 AromaticContact CZ-CD2 3.9Å; F1187-Y1272 HydrophobicContact CZ-CD2 3.9Å; F1187-Y1272 HydrophobicContact CZ-CE2 4.19Å; F1187-I1273 WeakPolarHBondContact O-CD1 3.39Å; F1187-L1279 HydrophobicContact CD1-CD1 4.11Å; F1187-L1279 HydrophobicContact CE1-CD1 3.81Å; F1187-C1307 HydrophobicContact CE1-CB 4.09Å; F1187-C1307 HydrophobicContact CZ-CB 4.18Å; F1187-H1310 AromaticContact CD2-ND1 3.89Å; F1187-H1310 AromaticContact CE2-ND1 3.4Å; F1187-H1310 WeakPolarHBondContact CE2-ND1 3.46Å |
| 1188 | C | 81.8 | Confident | 57.5 | Low | 37 Ų | 37 | 94.7 Ų | 94.7 | 25% | 0.25 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 175.6 | 176.7 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | E1271 I1273 | C1188-E1271 PolarHBondContact N-O 2.85Å; C1188-E1271 WeakPolarHBondContact O-CB 3.4Å; C1188-E1271 PolarHBondContact O-N 2.93Å; C1188-I1273 HydrophobicContact CB-CD1 3.76Å; C1188-I1273 HydrophobicContact CB-CG1 3.61Å; C1188-I1273 VanDerWaalsContact SG-CG1 3.58Å |
| 1189 | I | 71.7 | Confident | 60.4 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 37% | 0.374 | 50% | 0.502 | S | S | . | . | trans | -125.8 | 122.7 | 168.5 | -54.2 | 164.1 | 0 | 0 | 0 | 106.9 | P1254 | I1189-P1254 HydrophobicContact CD1-CB 4.19Å; I1189-P1254 HydrophobicContact CG1-CB 4.18Å; I1189-P1254 WeakPolarHBondContact CG1-O 3.35Å | ||
| 1190 | S | 63.9 | Low | 62.9 | Low | 44 Ų | 44 | 85 Ų | 85 | 31% | 0.308 | 49% | 0.486 | S | S | . | . | trans | -65.5 | 136 | 166.9 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | S1192 E1271 | S1190-S1192 PolarHBondContact O-N 2.99Å; S1190-S1192 VanDerWaalsContact O-N 3.08Å; S1190-S1192 PolarHBondContact OG-N 3.12Å; S1190-S1192 PolarHBondContact OG-OG 3.44Å; S1190-E1271 WeakPolarHBondContact CB-OE1 3.28Å; S1190-E1271 PolarHBondContact N-OE1 3.29Å | ||
| 1191 | S | 50.4 | Low | 65.7 | Low | 121 Ų | 121 | 78.9 Ų | 78.9 | 85% | 0.846 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -69.1 | 0.6 | 179 | 49 | 0 | 0 | 0 | 0 | 114.7 | I1193 | S1191-I1193 PolarHBondContact O-N 2.92Å; S1191-I1193 VanDerWaalsContact O-N 3.1Å |
| 1192 | S | 57.6 | Low | 68.2 | Low | 72 Ų | 72 | 75.6 Ų | 75.6 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -69.4 | 99.6 | 164.3 | 51.1 | 0 | 0 | 0 | 0 | 108.9 | S1190 I1194 | S1190-S1192 PolarHBondContact O-N 2.99Å; S1190-S1192 VanDerWaalsContact O-N 3.08Å; S1190-S1192 PolarHBondContact OG-N 3.12Å; S1190-S1192 PolarHBondContact OG-OG 3.44Å; S1192-I1194 PolarHBondContact O-N 2.93Å |
| 1193 | I | 62.8 | Low | 70.5 | Confident | 152 Ų | 152 | 72.7 Ų | 72.7 | 78% | 0.779 | 41% | 0.414 | S | S | * | . | trans | -52.1 | 110 | -175.4 | -60.1 | 167 | 0 | 0 | 0 | 110 | S1191 | S1191-I1193 PolarHBondContact O-N 2.92Å; S1191-I1193 VanDerWaalsContact O-N 3.1Å | ||
| 1194 | I | 76.5 | Confident | 72.5 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 9% | 0.092 | 41% | 0.406 | C | S | . | . | trans | -81.2 | 130.4 | 169.1 | -79.1 | 163.2 | 0 | 0 | 0 | 108.4 | S1192 I1198 F1199 L1256 I1258 Y1269 | S1192-I1194 PolarHBondContact O-N 2.93Å; I1194-I1198 HydrophobicContact CG1-CG2 4.23Å; I1194-F1199 HydrophobicContact CG2-CB 4.31Å; I1194-L1256 HydrophobicContact CB-CD2 4.28Å; I1194-I1258 HydrophobicContact CB-CD1 4.49Å; I1194-I1258 HydrophobicContact CG2-CD1 3.54Å; I1194-Y1269 HydrophobicContact CD1-CD1 3.47Å; I1194-Y1269 VanDerWaalsContact CD1-CD1 3.47Å; I1194-Y1269 HydrophobicContact CD1-CD2 3.7Å; I1194-Y1269 HydrophobicContact CD1-CE1 3.13Å; I1194-Y1269 HydrophobicContact CD1-CE2 3.34Å; I1194-Y1269 HydrophobicContact CD1-CG 3.74Å; I1194-Y1269 WeakPolarHBondContact CD1-OH 3.2Å; I1194-Y1269 HydrophobicContact CG2-CG 4.46Å | ||
| 1195 | N | 78.3 | Confident | 73.6 | Confident | 71 Ų | 71 | 67.8 Ų | 67.8 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | trans | -109.6 | 177.2 | 172.7 | 68.4 | 4 | 0 | 0 | 0 | 110.7 | D1197 I1198 F1199 | N1195-D1197 VanDerWaalsContact C-N 3.28Å; N1195-D1197 PolarHBondContact O-N 2.87Å; N1195-D1197 PolarHBondContact OD1-N 3.34Å; N1195-I1198 PolarHBondContact O-N 3.47Å; N1195-I1198 WeakPolarHBondContact OD1-CB 3.29Å; N1195-I1198 WeakPolarHBondContact OD1-CD1 3.43Å; N1195-I1198 WeakPolarHBondContact OD1-CG1 3.49Å; N1195-I1198 PolarHBondContact OD1-N 3.5Å; N1195-F1199 WeakPolarHBondContact O-CB 3.42Å; N1195-F1199 PolarHBondContact O-N 3.48Å | ||
| 1196 | T | 78.7 | Confident | 73.8 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 38% | 0.38 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.5 | -39.7 | 179.2 | -43.8 | 0 | 0 | 0 | 0 | 112.3 | F1199 V1200 I1258 | T1196-F1199 PolarHBondContact O-N 2.87Å; T1196-V1200 HydrophobicContact CG2-CG2 4.49Å; T1196-V1200 WeakPolarHBondContact O-CB 3.23Å; T1196-V1200 VanDerWaalsContact O-CG2 3.28Å; T1196-V1200 WeakPolarHBondContact O-CG2 3.24Å; T1196-V1200 PolarHBondContact O-N 3.32Å; T1196-I1258 HydrophobicContact CG2-CG2 4.28Å |
| 1197 | D | 80.2 | Confident | 73.8 | Confident | 123 Ų | 123 | 67.3 Ų | 67.3 | 66% | 0.658 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | -179.3 | -64 | -37.6 | 0 | 0 | 0 | 112.7 | N1195 V1200 S1201 | N1195-D1197 VanDerWaalsContact C-N 3.28Å; N1195-D1197 PolarHBondContact O-N 2.87Å; N1195-D1197 PolarHBondContact OD1-N 3.34Å; D1197-V1200 PolarHBondContact O-N 2.88Å; D1197-S1201 VanDerWaalsContact O-CB 3.26Å; D1197-S1201 WeakPolarHBondContact O-CB 3.44Å; D1197-S1201 PolarHBondContact O-N 3.48Å |
| 1198 | I | 80.4 | Confident | 73.9 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | 176.8 | -66.3 | 165 | 0 | 0 | 0 | 110.1 | I1194 N1195 S1201 L1202 | I1194-I1198 HydrophobicContact CG1-CG2 4.23Å; N1195-I1198 PolarHBondContact O-N 3.47Å; N1195-I1198 WeakPolarHBondContact OD1-CB 3.29Å; N1195-I1198 WeakPolarHBondContact OD1-CD1 3.43Å; N1195-I1198 WeakPolarHBondContact OD1-CG1 3.49Å; N1195-I1198 PolarHBondContact OD1-N 3.5Å; I1198-S1201 WeakPolarHBondContact O-CB 3.13Å; I1198-S1201 PolarHBondContact O-N 3.39Å; I1198-L1202 HydrophobicContact CG2-CD1 4.13Å; I1198-L1202 WeakPolarHBondContact O-CB 3.26Å; I1198-L1202 WeakPolarHBondContact O-CG 3.41Å; I1198-L1202 PolarHBondContact O-N 3.38Å |
| 1199 | F | 83.5 | Confident | 73.8 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.026 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63 | -44.8 | 176.3 | -173.7 | -96.1 | 0 | 0 | 0 | 111.9 | I1194 N1195 T1196 S1201 L1202 L1203 I1258 L1268 Y1269 C1280 | I1194-F1199 HydrophobicContact CG2-CB 4.31Å; N1195-F1199 WeakPolarHBondContact O-CB 3.42Å; N1195-F1199 PolarHBondContact O-N 3.48Å; T1196-F1199 PolarHBondContact O-N 2.87Å; F1199-S1201 VanDerWaalsContact C-N 3.34Å; F1199-L1202 PolarHBondContact O-N 2.89Å; F1199-L1203 HydrophobicContact CD1-CD1 3.76Å; F1199-L1203 HydrophobicContact CD1-CG 4.48Å; F1199-L1203 HydrophobicContact CE1-CD1 3.42Å; F1199-L1203 VanDerWaalsContact CE1-CD1 3.42Å; F1199-L1203 HydrophobicContact CE1-CG 4.28Å; F1199-L1203 HydrophobicContact CZ-CD1 4.16Å; F1199-L1203 WeakPolarHBondContact O-CG 3.5Å; F1199-L1203 PolarHBondContact O-N 3.42Å; F1199-I1258 HydrophobicContact CB-CD1 4.42Å; F1199-I1258 HydrophobicContact CB-CG1 4.35Å; F1199-I1258 HydrophobicContact CB-CG2 4.13Å; F1199-I1258 HydrophobicContact CD1-CG2 4.42Å; F1199-I1258 HydrophobicContact CD2-CD1 4.33Å; F1199-I1258 HydrophobicContact CD2-CG1 3.79Å; F1199-I1258 HydrophobicContact CE2-CG1 4.18Å; F1199-I1258 HydrophobicContact CG-CG1 4.02Å; F1199-I1258 HydrophobicContact CG-CG2 4.24Å; F1199-L1268 WeakPolarHBondContact CE2-O 3.36Å; F1199-Y1269 HydrophobicContact CD2-CD2 4.43Å; F1199-C1280 HydrophobicContact CD2-CB 4.47Å; F1199-C1280 HydrophobicContact CE2-CB 3.61Å; F1199-C1280 HydrophobicContact CZ-CB 3.81Å |
| 1200 | V | 81.5 | Confident | 74.5 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 47% | 0.473 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -38.1 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 111 | T1196 D1197 L1203 S1204 | T1196-V1200 HydrophobicContact CG2-CG2 4.49Å; T1196-V1200 WeakPolarHBondContact O-CB 3.23Å; T1196-V1200 VanDerWaalsContact O-CG2 3.28Å; T1196-V1200 WeakPolarHBondContact O-CG2 3.24Å; T1196-V1200 PolarHBondContact O-N 3.32Å; D1197-V1200 PolarHBondContact O-N 2.88Å; V1200-L1203 PolarHBondContact O-N 3.45Å; V1200-S1204 VanDerWaalsContact O-CB 3.23Å; V1200-S1204 WeakPolarHBondContact O-CB 3.31Å; V1200-S1204 PolarHBondContact O-N 3.32Å; V1200-S1204 PolarHBondContact O-OG 3.48Å |
| 1201 | S | 79.5 | Confident | 75.7 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.3 | -54 | 172.9 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | D1197 I1198 F1199 L1203 S1204 T1205 | D1197-S1201 VanDerWaalsContact O-CB 3.26Å; D1197-S1201 WeakPolarHBondContact O-CB 3.44Å; D1197-S1201 PolarHBondContact O-N 3.48Å; I1198-S1201 WeakPolarHBondContact O-CB 3.13Å; I1198-S1201 PolarHBondContact O-N 3.39Å; F1199-S1201 VanDerWaalsContact C-N 3.34Å; S1201-L1203 VanDerWaalsContact C-N 3.25Å; S1201-L1203 PolarHBondContact O-N 3.01Å; S1201-S1204 WeakPolarHBondContact CA-OG 3.27Å; S1201-S1204 CarbonylContact O-C 3.54Å; S1201-S1204 PolarHBondContact O-N 3.21Å; S1201-S1204 PolarHBondContact O-OG 3.44Å; S1201-S1204 VanDerWaalsContact O-OG 3.06Å; S1201-T1205 WeakPolarHBondContact O-CG2 3.35Å; S1201-T1205 PolarHBondContact O-N 3.11Å; S1201-T1205 PolarHBondContact O-OG1 3.35Å |
| 1202 | L | 78.9 | Confident | 77.7 | Confident | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.3 | -39.5 | 175.8 | -79.6 | 163.2 | 0 | 0 | 0 | 112.8 | I1198 F1199 S1204 T1205 L1208 Y1269 | I1198-L1202 HydrophobicContact CG2-CD1 4.13Å; I1198-L1202 WeakPolarHBondContact O-CB 3.26Å; I1198-L1202 WeakPolarHBondContact O-CG 3.41Å; I1198-L1202 PolarHBondContact O-N 3.38Å; F1199-L1202 PolarHBondContact O-N 2.89Å; L1202-S1204 VanDerWaalsContact C-N 3.34Å; L1202-T1205 PolarHBondContact O-OG1 3.14Å; L1202-L1208 HydrophobicContact CB-CD1 4.43Å; L1202-L1208 WeakPolarHBondContact O-CD1 3.26Å; L1202-L1208 WeakPolarHBondContact O-CG 3.37Å; L1202-Y1269 HydrophobicContact CD1-CE2 4.3Å |
| 1203 | L | 77.4 | Confident | 79.3 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 31% | 0.309 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.3 | -27.3 | 176.2 | -74.1 | 174.3 | 0 | 0 | 0 | 113.6 | F1199 V1200 S1201 L1208 C1280 R1297 | F1199-L1203 HydrophobicContact CD1-CD1 3.76Å; F1199-L1203 HydrophobicContact CD1-CG 4.48Å; F1199-L1203 HydrophobicContact CE1-CD1 3.42Å; F1199-L1203 VanDerWaalsContact CE1-CD1 3.42Å; F1199-L1203 HydrophobicContact CE1-CG 4.28Å; F1199-L1203 HydrophobicContact CZ-CD1 4.16Å; F1199-L1203 WeakPolarHBondContact O-CG 3.5Å; F1199-L1203 PolarHBondContact O-N 3.42Å; V1200-L1203 PolarHBondContact O-N 3.45Å; S1201-L1203 VanDerWaalsContact C-N 3.25Å; S1201-L1203 PolarHBondContact O-N 3.01Å; L1203-L1208 HydrophobicContact CD2-CD1 4.26Å; L1203-C1280 HydrophobicContact CD2-CB 3.98Å; L1203-R1297 HydrophobicContact CD2-CB 4.46Å |
| 1204 | S | 76.7 | Confident | 80.6 | Confident | 88 Ų | 88 | 62 Ų | 62 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -102.1 | -22.5 | -172.8 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | V1200 S1201 L1202 G1206 | V1200-S1204 VanDerWaalsContact O-CB 3.23Å; V1200-S1204 WeakPolarHBondContact O-CB 3.31Å; V1200-S1204 PolarHBondContact O-N 3.32Å; V1200-S1204 PolarHBondContact O-OG 3.48Å; S1201-S1204 WeakPolarHBondContact CA-OG 3.27Å; S1201-S1204 CarbonylContact O-C 3.54Å; S1201-S1204 PolarHBondContact O-N 3.21Å; S1201-S1204 PolarHBondContact O-OG 3.44Å; S1201-S1204 VanDerWaalsContact O-OG 3.06Å; L1202-S1204 VanDerWaalsContact C-N 3.34Å; S1204-G1206 PolarHBondContact O-N 3.38Å; S1204-G1206 VanDerWaalsContact O-N 3.12Å |
| 1205 | T | 71.4 | Confident | 81.3 | Confident | 66 Ų | 66 | 68 Ų | 68 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -60.3 | -22.6 | 175.3 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | S1201 L1202 E1207 | S1201-T1205 WeakPolarHBondContact O-CG2 3.35Å; S1201-T1205 PolarHBondContact O-N 3.11Å; S1201-T1205 PolarHBondContact O-OG1 3.35Å; L1202-T1205 PolarHBondContact O-OG1 3.14Å; T1205-E1207 PolarHBondContact O-N 3.02Å; T1205-E1207 WeakPolarHBondContact OG1-CB 3.31Å; T1205-E1207 WeakPolarHBondContact OG1-CG 3.29Å; T1205-E1207 PolarHBondContact OG1-N 3.39Å |
| 1206 | G | 65.1 | Low | 81.9 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 53% | 0.526 | 37% | 0.366 | S | S | . | . | S | Bend | trans | 73.6 | 8.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1204 L1208 N1209 | S1204-G1206 PolarHBondContact O-N 3.38Å; S1204-G1206 VanDerWaalsContact O-N 3.12Å; G1206-L1208 VanDerWaalsContact C-N 3.26Å; G1206-L1208 PolarHBondContact O-N 3.01Å; G1206-N1209 PolarHBondContact O-OD1 2.87Å |
| 1207 | E | 73.8 | Confident | 82.2 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | trans | -68.7 | -26.3 | 176.1 | -69.3 | 175.6 | 164.5 | 0 | 0 | 112.2 | T1205 N1209 T1299 | T1205-E1207 PolarHBondContact O-N 3.02Å; T1205-E1207 WeakPolarHBondContact OG1-CB 3.31Å; T1205-E1207 WeakPolarHBondContact OG1-CG 3.29Å; T1205-E1207 PolarHBondContact OG1-N 3.39Å; E1207-N1209 VanDerWaalsContact C-N 3.28Å; E1207-N1209 PolarHBondContact O-N 3.24Å; E1207-N1209 PolarHBondContact O-OD1 3.12Å; E1207-N1209 VanDerWaalsContact O-OD1 3.04Å; E1207-T1299 WeakPolarHBondContact O-CG2 3.5Å | ||
| 1208 | L | 80.8 | Confident | 82.5 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | trans | -80.1 | 76.9 | 177.2 | -52.9 | -176.6 | 0 | 0 | 0 | 110.6 | L1202 L1203 G1206 S1210 P1278 C1280 R1297 S1298 T1299 | L1202-L1208 HydrophobicContact CB-CD1 4.43Å; L1202-L1208 WeakPolarHBondContact O-CD1 3.26Å; L1202-L1208 WeakPolarHBondContact O-CG 3.37Å; L1203-L1208 HydrophobicContact CD2-CD1 4.26Å; G1206-L1208 VanDerWaalsContact C-N 3.26Å; G1206-L1208 PolarHBondContact O-N 3.01Å; L1208-S1210 VanDerWaalsContact C-N 3.33Å; L1208-S1210 PolarHBondContact O-N 3.38Å; L1208-P1278 HydrophobicContact CD2-CG 4.5Å; L1208-C1280 HydrophobicContact CD1-CB 4.1Å; L1208-R1297 HydrophobicContact CB-CB 4Å; L1208-R1297 HydrophobicContact CD1-CB 3.81Å; L1208-S1298 CarbonylContact C-O 3.58Å; L1208-S1298 VanDerWaalsContact C-O 3.32Å; L1208-S1298 WeakPolarHBondContact CA-O 3.24Å; L1208-T1299 HydrophobicContact CD2-CG2 4.16Å | ||
| 1209 | N | 80 | Confident | 82.6 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | trans | -69.2 | -30.9 | -173.9 | -53.9 | -19.7 | 0 | 0 | 0 | 112.9 | G1206 E1207 S1298 | G1206-N1209 PolarHBondContact O-OD1 2.87Å; E1207-N1209 VanDerWaalsContact C-N 3.28Å; E1207-N1209 PolarHBondContact O-N 3.24Å; E1207-N1209 PolarHBondContact O-OD1 3.12Å; E1207-N1209 VanDerWaalsContact O-OD1 3.04Å; N1209-S1298 PolarHBondContact N-O 2.95Å | ||
| 1210 | S | 86.8 | Confident | 82.5 | Confident | 23 Ų | 23 | 60 Ų | 60 | 16% | 0.161 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.6 | -176.3 | -61 | 0 | 0 | 0 | 0 | 110.2 | L1208 R1297 S1298 K1300 E1301 | L1208-S1210 VanDerWaalsContact C-N 3.33Å; L1208-S1210 PolarHBondContact O-N 3.38Å; S1210-R1297 WeakPolarHBondContact O-CA 3.45Å; S1210-S1298 WeakPolarHBondContact CB-O 3.38Å; S1210-S1298 PolarHBondContact N-O 2.95Å; S1210-S1298 PolarHBondContact O-N 3.33Å; S1210-K1300 VanDerWaalsContact OG-C 3.31Å; S1210-E1301 PolarHBondContact OG-N 2.96Å; S1210-E1301 VanDerWaalsContact OG-N 3.13Å |
| 1211 | F | 90.2 | Very high | 82.6 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 132.9 | -177.5 | 169 | -109.7 | 0 | 0 | 0 | 110.7 | D1295 I1296 R1297 | F1211-D1295 HydrophobicContact CE2-CB 3.95Å; F1211-D1295 HydrophobicContact CZ-CB 4.44Å; F1211-I1296 WeakPolarHBondContact CA-O 3.43Å; F1211-I1296 WeakPolarHBondContact CD2-O 3.47Å; F1211-R1297 HydrophobicContact CB-CG 4.26Å; F1211-R1297 HydrophobicContact CD2-CG 3.53Å; F1211-R1297 HydrophobicContact CE2-CG 4.35Å; F1211-R1297 HydrophobicContact CG-CG 4.34Å |
| 1212 | Q | 91.5 | Very high | 82.6 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.8 | 170.5 | -165.8 | 174.5 | 3 | 0 | 0 | 110.4 | I1296 V1304 V1308 | Q1212-I1296 PolarHBondContact N-O 3.18Å; Q1212-I1296 PolarHBondContact O-N 2.87Å; Q1212-V1304 HydrophobicContact CB-CG1 3.29Å; Q1212-V1304 HydrophobicContact CG-CG1 4.47Å; Q1212-V1308 HydrophobicContact CB-CG2 4.19Å; Q1212-V1308 HydrophobicContact CG-CG2 4.15Å |
| 1213 | S | 90.7 | Very high | 82.6 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 109.1 | R1293 I1294 D1295 | S1213-R1293 PolarHBondContact OG-NH1 3.17Å; S1213-R1293 PolarHBondContact OG-NH2 3.13Å; S1213-I1294 WeakPolarHBondContact CA-O 3.38Å; S1213-D1295 WeakPolarHBondContact CA-OD1 3.44Å; S1213-D1295 WeakPolarHBondContact CB-OD1 3.43Å; S1213-D1295 PolarHBondContact OG-OD1 3.05Å |
| 1214 | T | 90.5 | Very high | 82.5 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.1 | 174.7 | -170 | 0 | 0 | 0 | 0 | 110.8 | I1216 R1293 I1294 V1308 | T1214-I1216 HydrophobicContact CG2-CD1 3.78Å; T1214-I1216 HydrophobicContact CG2-CG1 3.98Å; T1214-R1293 CarbonylContact O-C 3.57Å; T1214-R1293 WeakPolarHBondContact O-CA 3.4Å; T1214-I1294 HydrophobicContact CG2-CB 3.93Å; T1214-I1294 PolarHBondContact N-O 2.77Å; T1214-I1294 PolarHBondContact O-N 3.49Å; T1214-V1308 HydrophobicContact CG2-CG1 3.96Å |
| 1215 | K | 91.3 | Very high | 82.4 | Confident | 146 Ų | 146 | 50.7 Ų | 50.7 | 64% | 0.635 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 117.2 | 169.5 | -81.7 | -177.1 | 177.5 | 179.2 | 0 | 108 | R1293 | K1215-R1293 HydrophobicContact CG-CB 4.06Å; K1215-R1293 HydrophobicContact CG-CG 4.09Å |
| 1216 | I | 90.4 | Very high | 82.4 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.5 | -176.2 | -55.9 | 152.5 | 0 | 0 | 0 | 108.3 | T1214 T1291 I1292 I1294 T1312 V1315 K1316 | T1214-I1216 HydrophobicContact CG2-CD1 3.78Å; T1214-I1216 HydrophobicContact CG2-CG1 3.98Å; I1216-T1291 CarbonylContact O-C 3.32Å; I1216-T1291 WeakPolarHBondContact O-CA 3.44Å; I1216-I1292 PolarHBondContact N-O 3.16Å; I1216-I1292 PolarHBondContact O-N 2.99Å; I1216-I1294 HydrophobicContact CD1-CD1 3.61Å; I1216-I1294 HydrophobicContact CD1-CG1 4.2Å; I1216-T1312 HydrophobicContact CG1-CG2 4.23Å; I1216-T1312 HydrophobicContact CG2-CG2 4.41Å; I1216-V1315 HydrophobicContact CB-CG1 4.12Å; I1216-V1315 HydrophobicContact CD1-CB 4.49Å; I1216-V1315 HydrophobicContact CD1-CG2 4.48Å; I1216-V1315 HydrophobicContact CG2-CB 3.95Å; I1216-V1315 HydrophobicContact CG2-CG1 3.59Å; I1216-K1316 HydrophobicContact CG2-CG 4.16Å |
| 1217 | C | 86.3 | Confident | 82.5 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 42% | 0.419 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 124.2 | 171.3 | -172.1 | 0 | 0 | 0 | 0 | 109.1 | P1219 T1291 | C1217-P1219 WeakPolarHBondContact O-CD 3.44Å; C1217-T1291 HydrophobicContact CB-CG2 4.35Å |
| 1218 | C | 86.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -96.2 | 109 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | S1220 L1221 L1222 G1290 I1292 V1315 | C1218-S1220 VanDerWaalsContact C-N 3.31Å; C1218-S1220 PolarHBondContact O-N 3.39Å; C1218-L1221 HydrophobicContact CB-CB 3.79Å; C1218-L1221 PolarHBondContact O-N 3.05Å; C1218-L1221 VanDerWaalsContact O-N 3.14Å; C1218-L1222 PolarHBondContact O-N 3.39Å; C1218-G1290 PolarHBondContact N-O 2.93Å; C1218-I1292 HydrophobicContact CB-CD1 4.48Å; C1218-V1315 HydrophobicContact CB-CG1 4Å | ||
| 1219 | P | 81.5 | Confident | 80.6 | Confident | 73 Ų | 73 | 62.5 Ų | 62.5 | 47% | 0.474 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | -174.3 | -24.5 | 34.8 | 0 | 0 | 0 | 113.2 | C1217 L1221 L1222 S1223 | C1217-P1219 WeakPolarHBondContact O-CD 3.44Å; P1219-L1221 VanDerWaalsContact C-N 3.35Å; P1219-L1221 PolarHBondContact O-N 3.36Å; P1219-L1222 PolarHBondContact O-N 3.28Å; P1219-S1223 PolarHBondContact O-N 2.88Å; P1219-S1223 PolarHBondContact O-OG 3.45Å |
| 1220 | S | 82 | Confident | 79.3 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 178.2 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | C1218 S1223 I1224 I1318 | C1218-S1220 VanDerWaalsContact C-N 3.31Å; C1218-S1220 PolarHBondContact O-N 3.39Å; S1220-S1223 WeakPolarHBondContact CA-OG 3.49Å; S1220-S1223 PolarHBondContact O-OG 3Å; S1220-I1224 WeakPolarHBondContact O-CD1 3.42Å; S1220-I1224 VanDerWaalsContact O-CG1 3.25Å; S1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; S1220-I1224 PolarHBondContact O-N 3.09Å; S1220-I1318 WeakPolarHBondContact CB-O 3.48Å; S1220-I1318 PolarHBondContact OG-O 3.09Å; S1220-I1318 VanDerWaalsContact OG-O 3.07Å |
| 1221 | L | 83.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68 | -43.6 | 174.7 | -174.7 | 56.7 | 0 | 0 | 0 | 110.5 | C1218 P1219 S1223 I1224 I1225 I1241 I1285 F1287 F1320 | C1218-L1221 HydrophobicContact CB-CB 3.79Å; C1218-L1221 PolarHBondContact O-N 3.05Å; C1218-L1221 VanDerWaalsContact O-N 3.14Å; P1219-L1221 VanDerWaalsContact C-N 3.35Å; P1219-L1221 PolarHBondContact O-N 3.36Å; L1221-S1223 VanDerWaalsContact C-N 3.33Å; L1221-S1223 PolarHBondContact O-N 3.3Å; L1221-I1224 PolarHBondContact O-N 3.4Å; L1221-I1225 HydrophobicContact CD1-CD1 4.35Å; L1221-I1225 HydrophobicContact CG-CD1 3.9Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.3Å; L1221-I1225 VanDerWaalsContact O-CG1 3.29Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.4Å; L1221-I1225 PolarHBondContact O-N 3.07Å; L1221-I1241 HydrophobicContact CD1-CD1 4.03Å; L1221-I1241 HydrophobicContact CD1-CG2 3.78Å; L1221-I1285 HydrophobicContact CD2-CG2 3.68Å; L1221-F1287 HydrophobicContact CD1-CD1 3.98Å; L1221-F1287 HydrophobicContact CD1-CE1 4.02Å; L1221-F1320 HydrophobicContact CB-CE2 3.91Å; L1221-F1320 HydrophobicContact CD1-CE2 4.5Å |
| 1222 | L | 79.6 | Confident | 75.5 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 178.3 | -171.8 | 65.9 | 0 | 0 | 0 | 112.2 | C1218 P1219 R1226 | C1218-L1222 PolarHBondContact O-N 3.39Å; P1219-L1222 PolarHBondContact O-N 3.28Å; L1222-R1226 WeakPolarHBondContact O-CG 3.47Å; L1222-R1226 PolarHBondContact O-N 3.09Å; L1222-R1226 VanDerWaalsContact O-N 3.09Å |
| 1223 | S | 77.6 | Confident | 73.7 | Confident | 53 Ų | 53 | 68.2 Ų | 68.2 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 174.7 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | P1219 S1220 L1221 R1226 Q1227 | P1219-S1223 PolarHBondContact O-N 2.88Å; P1219-S1223 PolarHBondContact O-OG 3.45Å; S1220-S1223 WeakPolarHBondContact CA-OG 3.49Å; S1220-S1223 PolarHBondContact O-OG 3Å; L1221-S1223 VanDerWaalsContact C-N 3.33Å; L1221-S1223 PolarHBondContact O-N 3.3Å; S1223-R1226 PolarHBondContact O-N 3.47Å; S1223-Q1227 WeakPolarHBondContact O-CG 3.41Å; S1223-Q1227 PolarHBondContact O-N 3.35Å; S1223-Q1227 VanDerWaalsContact O-N 3.08Å |
| 1224 | I | 75.6 | Confident | 72.2 | Confident | 12 Ų | 12 | 69.2 Ų | 69.2 | 6% | 0.062 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.6 | -45.6 | 177.8 | -65.7 | 166 | 0 | 0 | 0 | 110.5 | S1220 L1221 R1226 Q1227 S1228 I1241 F1320 L1322 | S1220-I1224 WeakPolarHBondContact O-CD1 3.42Å; S1220-I1224 VanDerWaalsContact O-CG1 3.25Å; S1220-I1224 WeakPolarHBondContact O-CG1 3.32Å; S1220-I1224 PolarHBondContact O-N 3.09Å; L1221-I1224 PolarHBondContact O-N 3.4Å; I1224-R1226 VanDerWaalsContact C-N 3.3Å; I1224-R1226 PolarHBondContact O-N 2.98Å; I1224-Q1227 PolarHBondContact O-N 3.5Å; I1224-Q1227 VanDerWaalsContact O-N 3.07Å; I1224-S1228 VanDerWaalsContact O-CB 3.31Å; I1224-S1228 WeakPolarHBondContact O-CB 3.48Å; I1224-S1228 PolarHBondContact O-N 3.31Å; I1224-S1228 PolarHBondContact O-OG 3.48Å; I1224-I1241 HydrophobicContact CD1-CD1 3.89Å; I1224-I1241 HydrophobicContact CD1-CG1 4.31Å; I1224-I1241 HydrophobicContact CG2-CD1 4.05Å; I1224-F1320 HydrophobicContact CD1-CB 3.79Å; I1224-F1320 HydrophobicContact CD1-CD2 3.51Å; I1224-F1320 HydrophobicContact CD1-CE2 4.47Å; I1224-F1320 HydrophobicContact CD1-CG 3.93Å; I1224-L1322 HydrophobicContact CB-CD1 4.23Å; I1224-L1322 HydrophobicContact CD1-CD1 3.49Å; I1224-L1322 VanDerWaalsContact CD1-CD1 3.49Å; I1224-L1322 HydrophobicContact CD1-CG 3.94Å; I1224-L1322 HydrophobicContact CG1-CD1 3.47Å; I1224-L1322 VanDerWaalsContact CG1-CD1 3.47Å; I1224-L1322 HydrophobicContact CG1-CG 4.43Å; I1224-L1322 HydrophobicContact CG2-CD1 3.74Å |
| 1225 | I | 74.4 | Confident | 70.8 | Confident | 14 Ų | 14 | 72.7 Ų | 72.7 | 7% | 0.072 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 178.2 | -66.6 | 160.4 | 0 | 0 | 0 | 109.7 | L1221 Q1227 S1228 E1229 F1287 G1290 | L1221-I1225 HydrophobicContact CD1-CD1 4.35Å; L1221-I1225 HydrophobicContact CG-CD1 3.9Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.3Å; L1221-I1225 VanDerWaalsContact O-CG1 3.29Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.4Å; L1221-I1225 PolarHBondContact O-N 3.07Å; I1225-Q1227 VanDerWaalsContact C-N 3.28Å; I1225-Q1227 PolarHBondContact O-N 3.45Å; I1225-S1228 WeakPolarHBondContact CA-OG 3.16Å; I1225-S1228 PolarHBondContact O-N 3.37Å; I1225-S1228 VanDerWaalsContact O-N 3.15Å; I1225-S1228 PolarHBondContact O-OG 3.07Å; I1225-E1229 PolarHBondContact O-N 2.98Å; I1225-E1229 VanDerWaalsContact O-N 3.16Å; I1225-F1287 WeakPolarHBondContact CD1-O 3.38Å; I1225-F1287 VanDerWaalsContact CG1-O 3.29Å; I1225-F1287 WeakPolarHBondContact CG1-O 3.28Å; I1225-G1290 VanDerWaalsContact CD1-CA 3.44Å |
| 1226 | R | 71.9 | Confident | 69.3 | Low | 178 Ų | 178 | 71.9 Ų | 71.9 | 67% | 0.672 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -30.7 | 176.9 | -73.7 | 176.7 | 176.9 | 173 | -0 | 114.1 | L1222 S1223 I1224 | L1222-R1226 WeakPolarHBondContact O-CG 3.47Å; L1222-R1226 PolarHBondContact O-N 3.09Å; L1222-R1226 VanDerWaalsContact O-N 3.09Å; S1223-R1226 PolarHBondContact O-N 3.47Å; I1224-R1226 VanDerWaalsContact C-N 3.3Å; I1224-R1226 PolarHBondContact O-N 2.98Å |
| 1227 | Q | 67.5 | Low | 68.4 | Low | 141 Ų | 141 | 74.1 Ų | 74.1 | 66% | 0.659 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -79.3 | -37.6 | 175.1 | -72.9 | 176.1 | 0.3 | 0 | 0 | 111.9 | S1223 I1224 I1225 E1229 K1230 | S1223-Q1227 WeakPolarHBondContact O-CG 3.41Å; S1223-Q1227 PolarHBondContact O-N 3.35Å; S1223-Q1227 VanDerWaalsContact O-N 3.08Å; I1224-Q1227 PolarHBondContact O-N 3.5Å; I1224-Q1227 VanDerWaalsContact O-N 3.07Å; I1225-Q1227 VanDerWaalsContact C-N 3.28Å; I1225-Q1227 PolarHBondContact O-N 3.45Å; Q1227-E1229 PolarHBondContact O-N 3.36Å; Q1227-K1230 PolarHBondContact O-N 3.03Å |
| 1228 | S | 61.5 | Low | 67.8 | Low | 13 Ų | 13 | 71.9 Ų | 71.9 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75 | -17.1 | -175.7 | 69.7 | 0 | 0 | 0 | 0 | 114.6 | I1224 I1225 K1230 S1231 L1234 | I1224-S1228 VanDerWaalsContact O-CB 3.31Å; I1224-S1228 WeakPolarHBondContact O-CB 3.48Å; I1224-S1228 PolarHBondContact O-N 3.31Å; I1224-S1228 PolarHBondContact O-OG 3.48Å; I1225-S1228 WeakPolarHBondContact CA-OG 3.16Å; I1225-S1228 PolarHBondContact O-N 3.37Å; I1225-S1228 VanDerWaalsContact O-N 3.15Å; I1225-S1228 PolarHBondContact O-OG 3.07Å; S1228-K1230 PolarHBondContact O-N 3.31Å; S1228-S1231 PolarHBondContact O-N 2.92Å; S1228-L1234 WeakPolarHBondContact OG-CD1 3.46Å |
| 1229 | E | 53.7 | Low | 67.3 | Low | 163 Ų | 163 | 75 Ų | 75 | 76% | 0.762 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -12.3 | 172.3 | -77.7 | -178 | 174.5 | 0 | 0 | 112.8 | I1225 Q1227 | I1225-E1229 PolarHBondContact O-N 2.98Å; I1225-E1229 VanDerWaalsContact O-N 3.16Å; Q1227-E1229 PolarHBondContact O-N 3.36Å |
| 1230 | K | 51.6 | Low | 67.3 | Low | 201 Ų | 201 | 77.2 Ų | 77.2 | 87% | 0.874 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.2 | 172.3 | -64.9 | -174.1 | 178.2 | -177.8 | 0 | 115.1 | Q1227 S1228 | Q1227-K1230 PolarHBondContact O-N 3.03Å; S1228-K1230 PolarHBondContact O-N 3.31Å |
| 1231 | S | 46.4 | Very low | 67.4 | Low | 59 Ų | 59 | 76 Ų | 76 | 41% | 0.413 | 39% | 0.39 | S | S | . | . | trans | -139 | 141.4 | -176.6 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | S1228 S1233 | S1228-S1231 PolarHBondContact O-N 2.92Å; S1231-S1233 PolarHBondContact O-N 3.34Å; S1231-S1233 PolarHBondContact OG-OG 3.37Å | ||
| 1232 | S | 50.6 | Low | 67.5 | Low | 125 Ų | 125 | 76.3 Ų | 76.3 | 87% | 0.874 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 9.5 | 176.7 | 46.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1233 | S | 55.4 | Low | 67.7 | Low | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 3.5 | -172.2 | 64.3 | 0 | 0 | 0 | 0 | 115 | S1231 T1235 M1236 H1237 | S1231-S1233 PolarHBondContact O-N 3.34Å; S1231-S1233 PolarHBondContact OG-OG 3.37Å; S1233-T1235 VanDerWaalsContact C-N 3.32Å; S1233-T1235 PolarHBondContact O-N 3.43Å; S1233-M1236 PolarHBondContact O-N 3.06Å; S1233-H1237 PolarHBondContact O-N 2.85Å; S1233-H1237 PolarHBondContact O-ND1 3.05Å; S1233-H1237 PolarHBondContact OG-CE1 3.24Å; S1233-H1237 VanDerWaalsContact OG-CE1 3.23Å |
| 1234 | L | 59.1 | Low | 68 | Low | 63 Ų | 63 | 77.3 Ų | 77.3 | 33% | 0.33 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54 | -43.4 | -169.3 | -174.1 | 62.8 | 0 | 0 | 0 | 113.3 | S1228 M1236 H1237 T1238 | S1228-L1234 WeakPolarHBondContact OG-CD1 3.46Å; L1234-M1236 VanDerWaalsContact C-N 3.32Å; L1234-M1236 PolarHBondContact O-N 3.38Å; L1234-H1237 WeakPolarHBondContact O-CB 3.47Å; L1234-H1237 PolarHBondContact O-N 3.39Å; L1234-T1238 HydrophobicContact CG-CG2 4.32Å; L1234-T1238 WeakPolarHBondContact O-CG2 3.45Å; L1234-T1238 PolarHBondContact O-N 3.42Å |
| 1235 | T | 59.8 | Low | 68.6 | Low | 106 Ų | 106 | 76.8 Ų | 76.8 | 65% | 0.65 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.4 | -34.2 | -176.3 | -38 | 0 | 0 | 0 | 0 | 113.5 | S1233 H1237 T1238 | S1233-T1235 VanDerWaalsContact C-N 3.32Å; S1233-T1235 PolarHBondContact O-N 3.43Å; T1235-H1237 VanDerWaalsContact C-N 3.32Å; T1235-T1238 PolarHBondContact O-OG1 2.94Å |
| 1236 | M | 60.5 | Low | 69.2 | Low | 128 Ų | 128 | 77 Ų | 77 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -71.9 | -31.7 | 176 | -78.7 | -93.2 | 61.6 | 0 | 0 | 111.7 | S1233 L1234 | S1233-M1236 PolarHBondContact O-N 3.06Å; L1234-M1236 VanDerWaalsContact C-N 3.32Å; L1234-M1236 PolarHBondContact O-N 3.38Å |
| 1237 | H | 70.9 | Confident | 69.8 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -75 | -37.5 | 178.4 | -66.1 | 67.1 | 0 | 0 | 0 | 111.2 | S1233 L1234 T1235 N1239 K1240 I1241 L1322 | S1233-H1237 PolarHBondContact O-N 2.85Å; S1233-H1237 PolarHBondContact O-ND1 3.05Å; S1233-H1237 PolarHBondContact OG-CE1 3.24Å; S1233-H1237 VanDerWaalsContact OG-CE1 3.23Å; L1234-H1237 WeakPolarHBondContact O-CB 3.47Å; L1234-H1237 PolarHBondContact O-N 3.39Å; T1235-H1237 VanDerWaalsContact C-N 3.32Å; H1237-N1239 VanDerWaalsContact C-N 3.3Å; H1237-N1239 PolarHBondContact O-N 2.67Å; H1237-K1240 PolarHBondContact O-N 2.9Å; H1237-I1241 HydrophobicContact CB-CD1 4.27Å; H1237-I1241 WeakPolarHBondContact O-CB 3.21Å; H1237-I1241 WeakPolarHBondContact O-CD1 3.35Å; H1237-I1241 WeakPolarHBondContact O-CG1 3.38Å; H1237-I1241 PolarHBondContact O-N 2.92Å; H1237-L1322 HydrophobicContact CB-CD2 4.37Å; H1237-L1322 VanDerWaalsContact CD2-CD2 3.45Å; H1237-L1322 WeakPolarHBondContact CD2-CD2 3.32Å |
| 1238 | T | 74.7 | Confident | 70.6 | Confident | 15 Ų | 15 | 67.3 Ų | 67.3 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.6 | -40.4 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 112.8 | L1234 T1235 F1242 F1287 | L1234-T1238 HydrophobicContact CG-CG2 4.32Å; L1234-T1238 WeakPolarHBondContact O-CG2 3.45Å; L1234-T1238 PolarHBondContact O-N 3.42Å; T1235-T1238 PolarHBondContact O-OG1 2.94Å; T1238-F1242 WeakPolarHBondContact O-CB 3.35Å; T1238-F1242 PolarHBondContact O-N 3.29Å; T1238-F1287 HydrophobicContact CG2-CB 4.48Å; T1238-F1287 HydrophobicContact CG2-CD1 3.6Å; T1238-F1287 HydrophobicContact CG2-CD2 3.85Å; T1238-F1287 HydrophobicContact CG2-CE1 3.61Å; T1238-F1287 HydrophobicContact CG2-CE2 3.85Å; T1238-F1287 HydrophobicContact CG2-CG 3.72Å; T1238-F1287 HydrophobicContact CG2-CZ 3.74Å |
| 1239 | N | 75.8 | Confident | 71.7 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 35% | 0.348 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | -179.7 | -67.1 | -4.5 | 0 | 0 | 0 | 111.8 | H1237 F1242 A1243 N1263 | H1237-N1239 VanDerWaalsContact C-N 3.3Å; H1237-N1239 PolarHBondContact O-N 2.67Å; N1239-F1242 PolarHBondContact O-N 2.89Å; N1239-A1243 WeakPolarHBondContact O-CB 3.4Å; N1239-A1243 PolarHBondContact O-N 2.96Å; N1239-N1263 PolarHBondContact OD1-ND2 3.28Å |
| 1240 | K | 81 | Confident | 73.2 | Confident | 120 Ų | 120 | 63.8 Ų | 63.8 | 52% | 0.522 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.6 | -73.3 | -173.1 | 176.6 | -175.5 | 0 | 111.8 | H1237 A1243 Q1244 | H1237-K1240 PolarHBondContact O-N 2.9Å; K1240-A1243 PolarHBondContact O-N 3.15Å; K1240-Q1244 WeakPolarHBondContact O-CB 3.3Å; K1240-Q1244 PolarHBondContact O-N 3.48Å |
| 1241 | I | 83.7 | Confident | 74.6 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.015 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62 | -49.1 | 178.3 | -70.5 | 166.4 | 0 | 0 | 0 | 110.4 | L1221 I1224 H1237 A1243 Q1244 I1245 F1287 F1320 L1322 | L1221-I1241 HydrophobicContact CD1-CD1 4.03Å; L1221-I1241 HydrophobicContact CD1-CG2 3.78Å; I1224-I1241 HydrophobicContact CD1-CD1 3.89Å; I1224-I1241 HydrophobicContact CD1-CG1 4.31Å; I1224-I1241 HydrophobicContact CG2-CD1 4.05Å; H1237-I1241 HydrophobicContact CB-CD1 4.27Å; H1237-I1241 WeakPolarHBondContact O-CB 3.21Å; H1237-I1241 WeakPolarHBondContact O-CD1 3.35Å; H1237-I1241 WeakPolarHBondContact O-CG1 3.38Å; H1237-I1241 PolarHBondContact O-N 2.92Å; I1241-A1243 VanDerWaalsContact C-N 3.34Å; I1241-A1243 PolarHBondContact O-N 3.27Å; I1241-Q1244 PolarHBondContact O-N 3.11Å; I1241-I1245 HydrophobicContact CG2-CD1 3.95Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.33Å; I1241-I1245 PolarHBondContact O-N 3.03Å; I1241-F1287 HydrophobicContact CB-CE1 4.5Å; I1241-F1287 HydrophobicContact CG2-CE1 4.15Å; I1241-F1320 HydrophobicContact CG1-CD1 4.47Å; I1241-F1320 HydrophobicContact CG1-CG 4.45Å; I1241-F1320 HydrophobicContact CG2-CD1 4.24Å; I1241-F1320 HydrophobicContact CG2-CE1 3.79Å; I1241-F1320 HydrophobicContact CG2-CE2 4.23Å; I1241-F1320 HydrophobicContact CG2-CZ 3.79Å; I1241-L1322 HydrophobicContact CG1-CD2 4.34Å |
| 1242 | F | 86.1 | Confident | 76.4 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.026 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | -180 | -169.6 | -92.7 | 0 | 0 | 0 | 111.3 | T1238 N1239 Q1244 I1245 I1246 S1260 N1263 A1266 I1285 | T1238-F1242 WeakPolarHBondContact O-CB 3.35Å; T1238-F1242 PolarHBondContact O-N 3.29Å; N1239-F1242 PolarHBondContact O-N 2.89Å; F1242-Q1244 PolarHBondContact O-N 3.36Å; F1242-I1245 PolarHBondContact O-N 3.39Å; F1242-I1246 HydrophobicContact CD1-CG1 4.06Å; F1242-I1246 HydrophobicContact CE1-CD1 4.17Å; F1242-I1246 HydrophobicContact CE1-CG1 3.72Å; F1242-I1246 HydrophobicContact CZ-CD1 4.22Å; F1242-I1246 HydrophobicContact CZ-CG1 4.22Å; F1242-I1246 WeakPolarHBondContact O-CG1 3.49Å; F1242-I1246 PolarHBondContact O-N 3.43Å; F1242-S1260 WeakPolarHBondContact CE1-OG 3.32Å; F1242-N1263 HydrophobicContact CB-CB 4.09Å; F1242-N1263 WeakPolarHBondContact CB-O 3.5Å; F1242-N1263 HydrophobicContact CD1-CB 4.16Å; F1242-N1263 WeakPolarHBondContact CD2-O 3.4Å; F1242-N1263 HydrophobicContact CG-CB 4.06Å; F1242-N1263 VanDerWaalsContact CG-O 3.29Å; F1242-N1263 WeakPolarHBondContact CG-O 3.45Å; F1242-A1266 HydrophobicContact CE1-CB 4.47Å; F1242-A1266 HydrophobicContact CZ-CB 3.79Å; F1242-I1285 HydrophobicContact CD2-CD1 3.58Å; F1242-I1285 HydrophobicContact CD2-CG1 4.19Å; F1242-I1285 HydrophobicContact CE2-CD1 3.95Å; F1242-I1285 HydrophobicContact CE2-CG1 4.19Å |
| 1243 | A | 83.8 | Confident | 77.9 | Confident | 57 Ų | 57 | 60.4 Ų | 60.4 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1239 K1240 I1241 I1246 S1247 | N1239-A1243 WeakPolarHBondContact O-CB 3.4Å; N1239-A1243 PolarHBondContact O-N 2.96Å; K1240-A1243 PolarHBondContact O-N 3.15Å; I1241-A1243 VanDerWaalsContact C-N 3.34Å; I1241-A1243 PolarHBondContact O-N 3.27Å; A1243-I1246 PolarHBondContact O-N 2.93Å; A1243-S1247 VanDerWaalsContact O-CB 3.31Å; A1243-S1247 WeakPolarHBondContact O-CB 3.49Å; A1243-S1247 PolarHBondContact O-N 3Å |
| 1244 | Q | 84.7 | Confident | 79.2 | Confident | 59 Ų | 59 | 60.8 Ų | 60.8 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 174.4 | -85.8 | 176.8 | -18.7 | 0 | 0 | 112 | K1240 I1241 F1242 S1247 V1248 F1320 D1321 | K1240-Q1244 WeakPolarHBondContact O-CB 3.3Å; K1240-Q1244 PolarHBondContact O-N 3.48Å; I1241-Q1244 PolarHBondContact O-N 3.11Å; F1242-Q1244 PolarHBondContact O-N 3.36Å; Q1244-S1247 PolarHBondContact O-N 3.25Å; Q1244-V1248 VanDerWaalsContact O-CG2 3.24Å; Q1244-V1248 WeakPolarHBondContact O-CG2 3.45Å; Q1244-V1248 PolarHBondContact O-N 3.38Å; Q1244-F1320 HydrophobicContact CB-CD1 4.17Å; Q1244-F1320 HydrophobicContact CB-CE1 4.43Å; Q1244-F1320 VanDerWaalsContact OE1-CD1 3.29Å; Q1244-D1321 PolarHBondContact NE2-O 3.12Å |
| 1245 | I | 86.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -49.2 | 177.4 | -67.1 | 168.5 | 0 | 0 | 0 | 110.4 | I1241 F1242 S1247 V1248 L1249 M1283 I1285 I1292 I1318 F1320 | I1241-I1245 HydrophobicContact CG2-CD1 3.95Å; I1241-I1245 WeakPolarHBondContact O-CG1 3.33Å; I1241-I1245 PolarHBondContact O-N 3.03Å; F1242-I1245 PolarHBondContact O-N 3.39Å; I1245-S1247 VanDerWaalsContact C-N 3.34Å; I1245-S1247 PolarHBondContact O-N 3.43Å; I1245-V1248 PolarHBondContact O-N 3.15Å; I1245-L1249 HydrophobicContact CG2-CD1 3.86Å; I1245-L1249 HydrophobicContact CG2-CG 4.48Å; I1245-L1249 VanDerWaalsContact O-CG 3.25Å; I1245-L1249 WeakPolarHBondContact O-CG 3.37Å; I1245-L1249 PolarHBondContact O-N 3.31Å; I1245-M1283 HydrophobicContact CG2-SD 3.98Å; I1245-I1285 HydrophobicContact CD1-CD1 3.33Å; I1245-I1292 HydrophobicContact CD1-CD1 3.83Å; I1245-I1292 HydrophobicContact CG2-CD1 4.46Å; I1245-I1318 HydrophobicContact CG1-CD1 4.16Å; I1245-I1318 HydrophobicContact CG2-CD1 4.29Å; I1245-F1320 HydrophobicContact CD1-CE1 4.07Å; I1245-F1320 HydrophobicContact CD1-CZ 3.84Å; I1245-F1320 HydrophobicContact CG1-CE1 3.59Å; I1245-F1320 HydrophobicContact CG1-CZ 3.79Å |
| 1246 | I | 87 | Confident | 81.8 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 178.2 | -63.5 | -61.4 | 0 | 0 | 0 | 110.8 | F1242 A1243 V1248 L1249 E1250 V1257 A1266 L1268 | F1242-I1246 HydrophobicContact CD1-CG1 4.06Å; F1242-I1246 HydrophobicContact CE1-CD1 4.17Å; F1242-I1246 HydrophobicContact CE1-CG1 3.72Å; F1242-I1246 HydrophobicContact CZ-CD1 4.22Å; F1242-I1246 HydrophobicContact CZ-CG1 4.22Å; F1242-I1246 WeakPolarHBondContact O-CG1 3.49Å; F1242-I1246 PolarHBondContact O-N 3.43Å; A1243-I1246 PolarHBondContact O-N 2.93Å; I1246-V1248 PolarHBondContact O-N 2.76Å; I1246-L1249 HydrophobicContact CD1-CD1 4.39Å; I1246-L1249 WeakPolarHBondContact O-CB 3.33Å; I1246-L1249 PolarHBondContact O-N 2.84Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; I1246-E1250 HydrophobicContact CG2-CG 4.3Å; I1246-E1250 WeakPolarHBondContact O-CG 3.5Å; I1246-E1250 PolarHBondContact O-N 3.01Å; I1246-V1257 HydrophobicContact CG2-CG2 3.57Å; I1246-A1266 HydrophobicContact CD1-CB 3.8Å; I1246-L1268 HydrophobicContact CD1-CD2 4.41Å |
| 1247 | S | 84.5 | Confident | 83.1 | Confident | 67 Ų | 67 | 52.2 Ų | 52.2 | 47% | 0.469 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 113 | A1243 Q1244 I1245 L1249 K1251 | A1243-S1247 VanDerWaalsContact O-CB 3.31Å; A1243-S1247 WeakPolarHBondContact O-CB 3.49Å; A1243-S1247 PolarHBondContact O-N 3Å; Q1244-S1247 PolarHBondContact O-N 3.25Å; I1245-S1247 VanDerWaalsContact C-N 3.34Å; I1245-S1247 PolarHBondContact O-N 3.43Å; S1247-L1249 VanDerWaalsContact C-N 3.33Å; S1247-K1251 WeakPolarHBondContact O-CB 3.33Å; S1247-K1251 PolarHBondContact O-N 3.43Å; S1247-K1251 VanDerWaalsContact O-N 3.09Å |
| 1248 | V | 85.6 | Confident | 83.8 | Confident | 48 Ų | 48 | 51 Ų | 51 | 29% | 0.291 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | Q1244 I1245 I1246 K1251 K1252 L1314 I1318 | Q1244-V1248 VanDerWaalsContact O-CG2 3.24Å; Q1244-V1248 WeakPolarHBondContact O-CG2 3.45Å; Q1244-V1248 PolarHBondContact O-N 3.38Å; I1245-V1248 PolarHBondContact O-N 3.15Å; I1246-V1248 PolarHBondContact O-N 2.76Å; V1248-K1251 PolarHBondContact O-N 2.71Å; V1248-K1252 HydrophobicContact CG1-CG 4.37Å; V1248-K1252 WeakPolarHBondContact O-CB 3.41Å; V1248-K1252 WeakPolarHBondContact O-CG 3.36Å; V1248-K1252 PolarHBondContact O-N 2.96Å; V1248-K1252 VanDerWaalsContact O-N 3.12Å; V1248-L1314 HydrophobicContact CG1-CD2 3.9Å; V1248-L1314 HydrophobicContact CG1-CG 4.35Å; V1248-I1318 HydrophobicContact CG1-CD1 4.47Å; V1248-I1318 HydrophobicContact CG1-CG1 4.23Å |
| 1249 | L | 84.6 | Confident | 84.4 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -53.9 | 175.9 | -70.2 | 165.3 | 0 | 0 | 0 | 110.9 | I1245 I1246 S1247 K1251 K1252 I1253 L1268 M1283 L1311 L1314 | I1245-L1249 HydrophobicContact CG2-CD1 3.86Å; I1245-L1249 HydrophobicContact CG2-CG 4.48Å; I1245-L1249 VanDerWaalsContact O-CG 3.25Å; I1245-L1249 WeakPolarHBondContact O-CG 3.37Å; I1245-L1249 PolarHBondContact O-N 3.31Å; I1246-L1249 HydrophobicContact CD1-CD1 4.39Å; I1246-L1249 WeakPolarHBondContact O-CB 3.33Å; I1246-L1249 PolarHBondContact O-N 2.84Å; I1246-L1249 VanDerWaalsContact O-N 3.13Å; S1247-L1249 VanDerWaalsContact C-N 3.33Å; L1249-K1251 PolarHBondContact O-N 3.26Å; L1249-K1251 VanDerWaalsContact O-N 3.17Å; L1249-K1252 PolarHBondContact O-N 3.49Å; L1249-K1252 VanDerWaalsContact O-N 3.11Å; L1249-I1253 CarbonylContact O-C 3.47Å; L1249-I1253 PolarHBondContact O-N 3.48Å; L1249-L1268 HydrophobicContact CD1-CD1 4.45Å; L1249-M1283 HydrophobicContact CD1-CE 3.32Å; L1249-M1283 HydrophobicContact CD1-SD 3.9Å; L1249-M1283 HydrophobicContact CD2-CE 4.37Å; L1249-M1283 HydrophobicContact CG-CE 4.48Å; L1249-L1311 HydrophobicContact CD2-CD2 3.29Å; L1249-L1314 HydrophobicContact CD2-CD1 4.36Å; L1249-L1314 HydrophobicContact CD2-CD2 3.74Å; L1249-L1314 HydrophobicContact CG-CD2 4.4Å |
| 1250 | E | 83.7 | Confident | 84.7 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.5 | -35.1 | 178.5 | -72.1 | 179.9 | 150.2 | 0 | 0 | 112.4 | I1246 V1257 | I1246-E1250 HydrophobicContact CG2-CG 4.3Å; I1246-E1250 WeakPolarHBondContact O-CG 3.5Å; I1246-E1250 PolarHBondContact O-N 3.01Å; E1250-V1257 HydrophobicContact CG-CG2 4.35Å; E1250-V1257 WeakPolarHBondContact OE1-CG2 3.36Å |
| 1251 | K | 82.4 | Confident | 84.5 | Confident | 186 Ų | 186 | 53.3 Ų | 53.3 | 81% | 0.809 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -76.9 | -31 | -180 | -168.2 | 173.8 | -176.9 | 175.5 | 0 | 114 | S1247 V1248 L1249 | S1247-K1251 WeakPolarHBondContact O-CB 3.33Å; S1247-K1251 PolarHBondContact O-N 3.43Å; S1247-K1251 VanDerWaalsContact O-N 3.09Å; V1248-K1251 PolarHBondContact O-N 2.71Å; L1249-K1251 PolarHBondContact O-N 3.26Å; L1249-K1251 VanDerWaalsContact O-N 3.17Å |
| 1252 | K | 83 | Confident | 84 | Confident | 128 Ų | 128 | 59.4 Ų | 59.4 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -103.2 | -31.1 | -172.8 | -74.9 | -95.7 | -177.1 | 172.7 | 0 | 113.3 | V1248 L1249 L1314 | V1248-K1252 HydrophobicContact CG1-CG 4.37Å; V1248-K1252 WeakPolarHBondContact O-CB 3.41Å; V1248-K1252 WeakPolarHBondContact O-CG 3.36Å; V1248-K1252 PolarHBondContact O-N 2.96Å; V1248-K1252 VanDerWaalsContact O-N 3.12Å; L1249-K1252 PolarHBondContact O-N 3.49Å; L1249-K1252 VanDerWaalsContact O-N 3.11Å; K1252-L1314 HydrophobicContact CB-CD1 3.35Å; K1252-L1314 HydrophobicContact CD-CD1 4.39Å; K1252-L1314 HydrophobicContact CG-CD1 3.85Å |
| 1253 | I | 83.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -126.5 | 111.2 | 175.4 | -59.6 | 172.5 | 0 | 0 | 0 | 105.1 | F1187 L1249 C1255 T1270 L1311 L1314 | F1187-I1253 HydrophobicContact CB-CG2 4.19Å; F1187-I1253 HydrophobicContact CG-CG2 4.21Å; L1249-I1253 CarbonylContact O-C 3.47Å; L1249-I1253 PolarHBondContact O-N 3.48Å; I1253-C1255 VanDerWaalsContact C-N 3.33Å; I1253-C1255 HydrophobicContact CG2-CB 4.42Å; I1253-C1255 PolarHBondContact O-N 3.09Å; I1253-C1255 PolarHBondContact O-SG 3.41Å; I1253-T1270 HydrophobicContact CG2-CG2 4.43Å; I1253-L1311 HydrophobicContact CD1-CD2 3.45Å; I1253-L1311 VanDerWaalsContact CD1-CD2 3.45Å; I1253-L1311 HydrophobicContact CD1-CG 3.83Å; I1253-L1314 HydrophobicContact CD1-CD1 4.27Å; I1253-L1314 HydrophobicContact CG1-CD1 4.36Å |
| 1254 | P | 81.7 | Confident | 83.5 | Confident | 52 Ų | 52 | 66.1 Ų | 66.1 | 34% | 0.338 | 33% | 0.334 | S | S | . | . | trans | -60.3 | 101.7 | 173.5 | 25.3 | -32.7 | 0 | 0 | 0 | 108.2 | F1187 I1189 T1270 | F1187-P1254 VanDerWaalsContact C-CG 3.48Å; F1187-P1254 HydrophobicContact CB-CG 4.16Å; F1187-P1254 WeakPolarHBondContact O-CG 3.42Å; I1189-P1254 HydrophobicContact CD1-CB 4.19Å; I1189-P1254 HydrophobicContact CG1-CB 4.18Å; I1189-P1254 WeakPolarHBondContact CG1-O 3.35Å; P1254-T1270 WeakPolarHBondContact O-CB 3.32Å; P1254-T1270 PolarHBondContact O-OG1 3.07Å | ||
| 1255 | C | 87.3 | Confident | 83.7 | Confident | 12 Ų | 12 | 64.2 Ų | 64.2 | 8% | 0.081 | 33% | 0.329 | C | S | . | . | trans | -133.3 | 148.6 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | I1253 Y1269 | I1253-C1255 VanDerWaalsContact C-N 3.33Å; I1253-C1255 HydrophobicContact CG2-CB 4.42Å; I1253-C1255 PolarHBondContact O-N 3.09Å; I1253-C1255 PolarHBondContact O-SG 3.41Å; C1255-Y1269 CarbonylContact C-O 3.55Å; C1255-Y1269 WeakPolarHBondContact CA-O 3.43Å; C1255-Y1269 WeakPolarHBondContact CB-O 3.5Å | ||
| 1256 | L | 87.3 | Confident | 83.9 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121.3 | 175.9 | -180 | 67 | 0 | 0 | 0 | 108.5 | I1194 I1258 L1268 Y1269 | I1194-L1256 HydrophobicContact CB-CD2 4.28Å; L1256-I1258 HydrophobicContact CD2-CD1 3.91Å; L1256-I1258 HydrophobicContact CG-CD1 4.19Å; L1256-I1258 PolarHBondContact O-N 3.48Å; L1256-L1268 CarbonylContact O-C 3.5Å; L1256-L1268 VanDerWaalsContact O-CA 3.31Å; L1256-L1268 WeakPolarHBondContact O-CA 3.38Å; L1256-Y1269 PolarHBondContact N-O 3.2Å; L1256-Y1269 PolarHBondContact O-N 3.47Å |
| 1257 | V | 87.5 | Confident | 84.1 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 26% | 0.261 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 112.1 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | I1246 E1250 L1268 | I1246-V1257 HydrophobicContact CG2-CG2 3.57Å; E1250-V1257 HydrophobicContact CG-CG2 4.35Å; E1250-V1257 WeakPolarHBondContact OE1-CG2 3.36Å; V1257-L1268 HydrophobicContact CB-CD2 4.35Å; V1257-L1268 HydrophobicContact CG2-CD2 3.63Å |
| 1258 | I | 86.1 | Confident | 84.4 | Confident | 26 Ų | 26 | 61.1 Ų | 61.1 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -48.3 | -179.8 | -55.9 | -69.7 | 0 | 0 | 0 | 110.4 | I1194 T1196 F1199 L1256 S1267 | I1194-I1258 HydrophobicContact CB-CD1 4.49Å; I1194-I1258 HydrophobicContact CG2-CD1 3.54Å; T1196-I1258 HydrophobicContact CG2-CG2 4.28Å; F1199-I1258 HydrophobicContact CB-CD1 4.42Å; F1199-I1258 HydrophobicContact CB-CG1 4.35Å; F1199-I1258 HydrophobicContact CB-CG2 4.13Å; F1199-I1258 HydrophobicContact CD1-CG2 4.42Å; F1199-I1258 HydrophobicContact CD2-CD1 4.33Å; F1199-I1258 HydrophobicContact CD2-CG1 3.79Å; F1199-I1258 HydrophobicContact CE2-CG1 4.18Å; F1199-I1258 HydrophobicContact CG-CG1 4.02Å; F1199-I1258 HydrophobicContact CG-CG2 4.24Å; L1256-I1258 HydrophobicContact CD2-CD1 3.91Å; L1256-I1258 HydrophobicContact CG-CD1 4.19Å; L1256-I1258 PolarHBondContact O-N 3.48Å; I1258-S1267 PolarHBondContact N-O 3.45Å |
| 1259 | E | 86 | Confident | 84.6 | Confident | 98 Ų | 98 | 59.4 Ų | 59.4 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 143.7 | -175.8 | -170.1 | -178.6 | -177.3 | 0 | 0 | 109.6 | A1266 S1267 | E1259-A1266 CarbonylContact O-C 3.46Å; E1259-A1266 VanDerWaalsContact O-CA 3.23Å; E1259-A1266 WeakPolarHBondContact O-CA 3.3Å; E1259-S1267 PolarHBondContact N-O 2.93Å; E1259-S1267 PolarHBondContact O-N 3.28Å |
| 1260 | S | 81.9 | Confident | 84.9 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 116 | 174.2 | 169 | 0 | 0 | 0 | 0 | 109.6 | F1242 A1265 | F1242-S1260 WeakPolarHBondContact CE1-OG 3.32Å; S1260-A1265 CarbonylContact C-O 3.38Å; S1260-A1265 WeakPolarHBondContact CA-O 2.99Å |
| 1261 | L | 78.4 | Confident | 85 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.1 | -177.4 | -162.1 | 76.1 | 0 | 0 | 0 | 110.6 | N1263 R1264 A1265 | L1261-N1263 PolarHBondContact O-N 3.35Å; L1261-R1264 PolarHBondContact O-N 3.3Å; L1261-A1265 HydrophobicContact CB-CB 4.39Å; L1261-A1265 PolarHBondContact N-O 3.43Å; L1261-A1265 PolarHBondContact O-N 3Å |
| 1262 | D | 71.6 | Confident | 85.1 | Confident | 131 Ų | 131 | 48.1 Ų | 48.1 | 70% | 0.701 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 25.6 | 172.2 | -60.8 | -29.2 | 0 | 0 | 0 | 115.8 | R1264 | D1262-R1264 PolarHBondContact O-N 3.38Š|
| 1263 | N | 76.4 | Confident | 84.7 | Confident | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.1 | -173.7 | -53.6 | -34.7 | 0 | 0 | 0 | 112.6 | N1239 F1242 L1261 | N1239-N1263 PolarHBondContact OD1-ND2 3.28Å; F1242-N1263 HydrophobicContact CB-CB 4.09Å; F1242-N1263 WeakPolarHBondContact CB-O 3.5Å; F1242-N1263 HydrophobicContact CD1-CB 4.16Å; F1242-N1263 WeakPolarHBondContact CD2-O 3.4Å; F1242-N1263 HydrophobicContact CG-CB 4.06Å; F1242-N1263 VanDerWaalsContact CG-O 3.29Å; F1242-N1263 WeakPolarHBondContact CG-O 3.45Å; L1261-N1263 PolarHBondContact O-N 3.35Å |
| 1264 | R | 82.9 | Confident | 84.1 | Confident | 143 Ų | 143 | 49 Ų | 49 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.1 | -24.5 | -179.4 | -79.8 | 179 | -179.3 | -159.5 | 1.8 | 111.6 | L1261 D1262 K1284 I1285 F1287 | L1261-R1264 PolarHBondContact O-N 3.3Å; D1262-R1264 PolarHBondContact O-N 3.38Å; R1264-K1284 CarbonylContact O-C 3.37Å; R1264-K1284 WeakPolarHBondContact O-CA 3.33Å; R1264-I1285 PolarHBondContact O-N 2.95Å; R1264-F1287 HydrophobicContact CG-CD2 3.98Å; R1264-F1287 HydrophobicContact CG-CE2 3.72Å |
| 1265 | A | 90.2 | Very high | 83.3 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S1260 L1261 M1283 K1284 | S1260-A1265 CarbonylContact C-O 3.38Å; S1260-A1265 WeakPolarHBondContact CA-O 2.99Å; L1261-A1265 HydrophobicContact CB-CB 4.39Å; L1261-A1265 PolarHBondContact N-O 3.43Å; L1261-A1265 PolarHBondContact O-N 3Å; A1265-M1283 CarbonylContact C-O 3.59Å; A1265-M1283 WeakPolarHBondContact CA-O 3.22Å; A1265-M1283 WeakPolarHBondContact CB-O 3.5Å; A1265-K1284 HydrophobicContact CB-CB 4.41Å; A1265-K1284 HydrophobicContact CB-CG 4.31Å |
| 1266 | A | 90.9 | Very high | 82.7 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 143.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | F1242 I1246 E1259 M1283 | F1242-A1266 HydrophobicContact CE1-CB 4.47Å; F1242-A1266 HydrophobicContact CZ-CB 3.79Å; I1246-A1266 HydrophobicContact CD1-CB 3.8Å; E1259-A1266 CarbonylContact O-C 3.46Å; E1259-A1266 VanDerWaalsContact O-CA 3.23Å; E1259-A1266 WeakPolarHBondContact O-CA 3.3Å; A1266-M1283 PolarHBondContact N-O 2.69Å; A1266-M1283 PolarHBondContact O-N 3.13Å |
| 1267 | S | 90.4 | Very high | 82.4 | Confident | 17 Ų | 17 | 57 Ų | 57 | 12% | 0.119 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.7 | 170 | -62.1 | 0 | 0 | 0 | 0 | 108 | I1258 E1259 L1282 | I1258-S1267 PolarHBondContact N-O 3.45Å; E1259-S1267 PolarHBondContact N-O 2.93Å; E1259-S1267 PolarHBondContact O-N 3.28Å; S1267-L1282 WeakPolarHBondContact OG-CD1 3.35Å |
| 1268 | L | 90.9 | Very high | 82.3 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.8 | -175.9 | -58.3 | 135.5 | 0 | 0 | 0 | 109.8 | F1199 I1246 L1249 L1256 V1257 I1281 M1283 | F1199-L1268 WeakPolarHBondContact CE2-O 3.36Å; I1246-L1268 HydrophobicContact CD1-CD2 4.41Å; L1249-L1268 HydrophobicContact CD1-CD1 4.45Å; L1256-L1268 CarbonylContact O-C 3.5Å; L1256-L1268 VanDerWaalsContact O-CA 3.31Å; L1256-L1268 WeakPolarHBondContact O-CA 3.38Å; V1257-L1268 HydrophobicContact CB-CD2 4.35Å; V1257-L1268 HydrophobicContact CG2-CD2 3.63Å; L1268-I1281 HydrophobicContact CB-CB 4.14Å; L1268-I1281 HydrophobicContact CD1-CG2 4.18Å; L1268-I1281 PolarHBondContact N-O 3.28Å; L1268-I1281 PolarHBondContact O-N 3.02Å; L1268-M1283 HydrophobicContact CD1-CB 4.3Å; L1268-M1283 HydrophobicContact CD1-CE 4.19Å |
| 1269 | Y | 90.7 | Very high | 82.5 | Confident | 11 Ų | 11 | 55 Ų | 55 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.7 | 174.4 | 176.7 | -90.3 | 0 | 0 | 0 | 111 | I1194 F1199 L1202 C1255 L1256 E1271 P1278 | I1194-Y1269 HydrophobicContact CD1-CD1 3.47Å; I1194-Y1269 VanDerWaalsContact CD1-CD1 3.47Å; I1194-Y1269 HydrophobicContact CD1-CD2 3.7Å; I1194-Y1269 HydrophobicContact CD1-CE1 3.13Å; I1194-Y1269 HydrophobicContact CD1-CE2 3.34Å; I1194-Y1269 HydrophobicContact CD1-CG 3.74Å; I1194-Y1269 WeakPolarHBondContact CD1-OH 3.2Å; I1194-Y1269 HydrophobicContact CG2-CG 4.46Å; F1199-Y1269 HydrophobicContact CD2-CD2 4.43Å; L1202-Y1269 HydrophobicContact CD1-CE2 4.3Å; C1255-Y1269 CarbonylContact C-O 3.55Å; C1255-Y1269 WeakPolarHBondContact CA-O 3.43Å; C1255-Y1269 WeakPolarHBondContact CB-O 3.5Å; L1256-Y1269 PolarHBondContact N-O 3.2Å; L1256-Y1269 PolarHBondContact O-N 3.47Å; Y1269-E1271 HydrophobicContact CE1-CG 3.87Å; Y1269-E1271 VanDerWaalsContact OH-CG 3.27Å; Y1269-E1271 WeakPolarHBondContact OH-CG 3.29Å; Y1269-E1271 PolarHBondContact OH-OE1 3.05Å; Y1269-P1278 HydrophobicContact CE2-CB 3.64Å |
| 1270 | T | 89.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 170.1 | 171.2 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | F1187 I1253 P1254 L1279 I1281 | F1187-T1270 HydrophobicContact CD1-CG2 4.33Å; I1253-T1270 HydrophobicContact CG2-CG2 4.43Å; P1254-T1270 WeakPolarHBondContact O-CB 3.32Å; P1254-T1270 PolarHBondContact O-OG1 3.07Å; T1270-L1279 HydrophobicContact CG2-CB 3.65Å; T1270-L1279 HydrophobicContact CG2-CD1 4.07Å; T1270-L1279 PolarHBondContact N-O 3.12Å; T1270-L1279 WeakPolarHBondContact O-CA 3.47Å; T1270-L1279 WeakPolarHBondContact O-CB 3.44Å; T1270-L1279 PolarHBondContact O-N 3.33Å; T1270-I1281 HydrophobicContact CG2-CD1 3.82Å |
| 1271 | E | 87.2 | Confident | 83.2 | Confident | 20 Ų | 20 | 48 Ų | 48 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.7 | 174.2 | -67.5 | 172.3 | -163.7 | 0 | 0 | 111.5 | F1187 C1188 S1190 Y1269 E1277 | F1187-E1271 CarbonylContact C-O 3.13Å; F1187-E1271 WeakPolarHBondContact CA-O 3.44Å; C1188-E1271 PolarHBondContact N-O 2.85Å; C1188-E1271 WeakPolarHBondContact O-CB 3.4Å; C1188-E1271 PolarHBondContact O-N 2.93Å; S1190-E1271 WeakPolarHBondContact CB-OE1 3.28Å; S1190-E1271 PolarHBondContact N-OE1 3.29Å; Y1269-E1271 HydrophobicContact CE1-CG 3.87Å; Y1269-E1271 VanDerWaalsContact OH-CG 3.27Å; Y1269-E1271 WeakPolarHBondContact OH-CG 3.29Å; Y1269-E1271 PolarHBondContact OH-OE1 3.05Å; E1271-E1277 CarbonylContact C-O 3.54Å; E1271-E1277 VanDerWaalsContact CA-O 3.23Å; E1271-E1277 WeakPolarHBondContact CA-O 3.5Å |
| 1272 | Y | 83.5 | Confident | 83.8 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.6 | 173.4 | -170.7 | -120.7 | 0 | 0 | 0 | 110.5 | T1185 F1187 P1274 L1275 R1276 E1277 A1303 | T1185-Y1272 HydrophobicContact CG2-CE2 4.21Å; F1187-Y1272 HydrophobicContact CD1-CD2 4.03Å; F1187-Y1272 AromaticContact CE1-CD2 3.58Å; F1187-Y1272 HydrophobicContact CE1-CD2 3.58Å; F1187-Y1272 HydrophobicContact CE1-CE2 4.32Å; F1187-Y1272 HydrophobicContact CE1-CG 4.49Å; F1187-Y1272 AromaticContact CZ-CD2 3.9Å; F1187-Y1272 HydrophobicContact CZ-CD2 3.9Å; F1187-Y1272 HydrophobicContact CZ-CE2 4.19Å; Y1272-P1274 HydrophobicContact CD1-CB 4.41Å; Y1272-P1274 HydrophobicContact CD1-CG 4.22Å; Y1272-P1274 HydrophobicContact CE1-CB 3.98Å; Y1272-P1274 HydrophobicContact CE1-CG 3.7Å; Y1272-P1274 HydrophobicContact CE2-CG 4.31Å; Y1272-L1275 HydrophobicContact CD1-CB 4.37Å; Y1272-L1275 HydrophobicContact CD1-CD1 4.07Å; Y1272-L1275 HydrophobicContact CD1-CG 4.26Å; Y1272-L1275 HydrophobicContact CE1-CD1 4.23Å; Y1272-L1275 PolarHBondContact O-N 3.32Å; Y1272-R1276 WeakPolarHBondContact O-CA 3.28Å; Y1272-R1276 PolarHBondContact O-N 3.1Å; Y1272-E1277 PolarHBondContact N-O 3.49Å; Y1272-E1277 PolarHBondContact O-N 3.12Å; Y1272-A1303 HydrophobicContact CD1-CB 4.08Å; Y1272-A1303 HydrophobicContact CG-CB 4.19Å |
| 1273 | I | 75.5 | Confident | 84.8 | Confident | 70 Ų | 70 | 41.1 Ų | 41.1 | 36% | 0.359 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -47.4 | -169.3 | -66.4 | -175.8 | 0 | 0 | 0 | 113.9 | K1186 F1187 C1188 L1275 R1276 | K1186-I1273 HydrophobicContact CB-CB 3.99Å; K1186-I1273 HydrophobicContact CB-CD1 3.39Å; K1186-I1273 HydrophobicContact CB-CG1 3.98Å; K1186-I1273 VanDerWaalsContact O-CB 3.26Å; K1186-I1273 WeakPolarHBondContact O-CB 3.36Å; K1186-I1273 WeakPolarHBondContact O-CG1 3.32Å; K1186-I1273 PolarHBondContact O-N 3.27Å; F1187-I1273 WeakPolarHBondContact O-CD1 3.39Å; C1188-I1273 HydrophobicContact CB-CD1 3.76Å; C1188-I1273 HydrophobicContact CB-CG1 3.61Å; C1188-I1273 VanDerWaalsContact SG-CG1 3.58Å; I1273-L1275 PolarHBondContact O-N 3.39Å; I1273-R1276 PolarHBondContact O-N 3.17Å |
| 1274 | P | 70.5 | Confident | 85.6 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.3 | -174.5 | -25.8 | 34.8 | 0 | 0 | 0 | 113.6 | Y1272 | Y1272-P1274 HydrophobicContact CD1-CB 4.41Å; Y1272-P1274 HydrophobicContact CD1-CG 4.22Å; Y1272-P1274 HydrophobicContact CE1-CB 3.98Å; Y1272-P1274 HydrophobicContact CE1-CG 3.7Å; Y1272-P1274 HydrophobicContact CE2-CG 4.31Å |
| 1275 | L | 64.9 | Low | 85.9 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 40% | 0.398 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.2 | -5.4 | -174.5 | -59.6 | 171.5 | 0 | 0 | 0 | 114 | Y1272 I1273 E1277 K1300 | Y1272-L1275 HydrophobicContact CD1-CB 4.37Å; Y1272-L1275 HydrophobicContact CD1-CD1 4.07Å; Y1272-L1275 HydrophobicContact CD1-CG 4.26Å; Y1272-L1275 HydrophobicContact CE1-CD1 4.23Å; Y1272-L1275 PolarHBondContact O-N 3.32Å; I1273-L1275 PolarHBondContact O-N 3.39Å; L1275-E1277 HydrophobicContact CB-CB 4.38Å; L1275-E1277 HydrophobicContact CB-CG 3.77Å; L1275-E1277 WeakPolarHBondContact CB-OE1 3.46Å; L1275-E1277 WeakPolarHBondContact CD1-OE1 3.18Å; L1275-E1277 PolarHBondContact O-N 3.38Å; L1275-K1300 HydrophobicContact CD1-CD 4.19Å |
| 1276 | R | 73.8 | Confident | 85.7 | Confident | 206 Ų | 206 | 38.8 Ų | 38.8 | 78% | 0.777 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 45.7 | -168.6 | -67.3 | -173 | 177.2 | -177.7 | -0.9 | 112.8 | Y1272 I1273 | Y1272-R1276 WeakPolarHBondContact O-CA 3.28Å; Y1272-R1276 PolarHBondContact O-N 3.1Å; I1273-R1276 PolarHBondContact O-N 3.17Å |
| 1277 | E | 81 | Confident | 85.2 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.3 | -176.1 | -78.5 | -173.4 | -145.6 | 0 | 0 | 112.9 | E1271 Y1272 L1275 T1299 K1300 | E1271-E1277 CarbonylContact C-O 3.54Å; E1271-E1277 VanDerWaalsContact CA-O 3.23Å; E1271-E1277 WeakPolarHBondContact CA-O 3.5Å; Y1272-E1277 PolarHBondContact N-O 3.49Å; Y1272-E1277 PolarHBondContact O-N 3.12Å; L1275-E1277 HydrophobicContact CB-CB 4.38Å; L1275-E1277 HydrophobicContact CB-CG 3.77Å; L1275-E1277 WeakPolarHBondContact CB-OE1 3.46Å; L1275-E1277 WeakPolarHBondContact CD1-OE1 3.18Å; L1275-E1277 PolarHBondContact O-N 3.38Å; E1277-T1299 PolarHBondContact OE2-OG1 2.92Å; E1277-K1300 WeakPolarHBondContact OE1-CD 3.32Å; E1277-K1300 WeakPolarHBondContact OE1-CE 3.42Å; E1277-K1300 WeakPolarHBondContact OE1-CG 3.4Å; E1277-K1300 IonicContact OE1-NZ 3.29Å; E1277-K1300 PolarHBondContact OE1-NZ 2.67Å; E1277-K1300 WeakPolarHBondContact OE2-CB 3.39Å; E1277-K1300 WeakPolarHBondContact OE2-CG 3.32Å; E1277-K1300 PolarHBondContact OE2-N 2.97Å; E1277-K1300 VanDerWaalsContact OE2-N 3.11Å |
| 1278 | P | 86.2 | Confident | 84.6 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 18% | 0.175 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.8 | 177.8 | 28.6 | -33.8 | 0 | 0 | 0 | 111 | L1208 Y1269 S1298 | L1208-P1278 HydrophobicContact CD2-CG 4.5Å; Y1269-P1278 HydrophobicContact CE2-CB 3.64Å; P1278-S1298 WeakPolarHBondContact O-CB 3.34Å; P1278-S1298 PolarHBondContact O-OG 3.44Å |
| 1279 | L | 89.3 | Confident | 84 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 113.1 | 175.7 | -80.1 | 147.4 | 0 | 0 | 0 | 108.7 | F1187 T1270 I1296 A1303 V1304 C1307 | F1187-L1279 HydrophobicContact CD1-CD1 4.11Å; F1187-L1279 HydrophobicContact CE1-CD1 3.81Å; T1270-L1279 HydrophobicContact CG2-CB 3.65Å; T1270-L1279 HydrophobicContact CG2-CD1 4.07Å; T1270-L1279 PolarHBondContact N-O 3.12Å; T1270-L1279 WeakPolarHBondContact O-CA 3.47Å; T1270-L1279 WeakPolarHBondContact O-CB 3.44Å; T1270-L1279 PolarHBondContact O-N 3.33Å; L1279-I1296 HydrophobicContact CD2-CG2 3.53Å; L1279-A1303 HydrophobicContact CD2-CB 4.42Å; L1279-V1304 HydrophobicContact CD2-CG2 4.49Å; L1279-C1307 HydrophobicContact CD1-CB 4.41Å; L1279-C1307 HydrophobicContact CD2-CB 3.97Å |
| 1280 | C | 91.3 | Very high | 83.6 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119.3 | 173.3 | -63 | 0 | 0 | 0 | 0 | 108.9 | F1199 L1203 L1208 I1296 R1297 | F1199-C1280 HydrophobicContact CD2-CB 4.47Å; F1199-C1280 HydrophobicContact CE2-CB 3.61Å; F1199-C1280 HydrophobicContact CZ-CB 3.81Å; L1203-C1280 HydrophobicContact CD2-CB 3.98Å; L1208-C1280 HydrophobicContact CD1-CB 4.1Å; C1280-I1296 WeakPolarHBondContact O-CA 3.09Å; C1280-R1297 PolarHBondContact N-O 3.09Å; C1280-R1297 PolarHBondContact O-N 3.45Å |
| 1281 | I | 92 | Very high | 83.5 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123 | -174.6 | -58.3 | 161.9 | 0 | 0 | 0 | 108.5 | L1268 T1270 I1294 I1296 L1311 | L1268-I1281 HydrophobicContact CB-CB 4.14Å; L1268-I1281 HydrophobicContact CD1-CG2 4.18Å; L1268-I1281 PolarHBondContact N-O 3.28Å; L1268-I1281 PolarHBondContact O-N 3.02Å; T1270-I1281 HydrophobicContact CG2-CD1 3.82Å; I1281-I1294 HydrophobicContact CG2-CG2 3.67Å; I1281-I1296 HydrophobicContact CG1-CD1 4.41Å; I1281-I1296 HydrophobicContact CG1-CG1 4.23Å; I1281-I1296 HydrophobicContact CG1-CG2 4.22Å; I1281-I1296 HydrophobicContact CG2-CG1 4.4Å; I1281-L1311 HydrophobicContact CD1-CD1 4.19Å; I1281-L1311 HydrophobicContact CG2-CD1 4.32Å |
| 1282 | L | 91.7 | Very high | 83.7 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 44% | 0.44 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.7 | 171.8 | -174.2 | 75.4 | 0 | 0 | 0 | 109.1 | S1267 I1294 D1295 | S1267-L1282 WeakPolarHBondContact OG-CD1 3.35Å; L1282-I1294 WeakPolarHBondContact O-CA 3.23Å; L1282-D1295 HydrophobicContact CB-CB 4.19Å; L1282-D1295 PolarHBondContact N-O 3.26Å; L1282-D1295 PolarHBondContact O-N 3.3Å |
| 1283 | M | 92.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 136.6 | -180 | -174.7 | 171.6 | -59.6 | 0 | 0 | 110.4 | I1245 L1249 A1265 A1266 L1268 I1292 R1293 I1294 | I1245-M1283 HydrophobicContact CG2-SD 3.98Å; L1249-M1283 HydrophobicContact CD1-CE 3.32Å; L1249-M1283 HydrophobicContact CD1-SD 3.9Å; L1249-M1283 HydrophobicContact CD2-CE 4.37Å; L1249-M1283 HydrophobicContact CG-CE 4.48Å; A1265-M1283 CarbonylContact C-O 3.59Å; A1265-M1283 WeakPolarHBondContact CA-O 3.22Å; A1265-M1283 WeakPolarHBondContact CB-O 3.5Å; A1266-M1283 PolarHBondContact N-O 2.69Å; A1266-M1283 PolarHBondContact O-N 3.13Å; L1268-M1283 HydrophobicContact CD1-CB 4.3Å; L1268-M1283 HydrophobicContact CD1-CE 4.19Å; M1283-I1292 HydrophobicContact CE-CG2 4.44Å; M1283-I1292 HydrophobicContact CG-CG2 3.48Å; M1283-I1292 VanDerWaalsContact CG-CG2 3.48Å; M1283-I1292 HydrophobicContact SD-CG2 3.75Å; M1283-R1293 CarbonylContact C-O 3.51Å; M1283-R1293 WeakPolarHBondContact CA-O 3.38Å; M1283-I1294 HydrophobicContact CE-CD1 3.91Å; M1283-I1294 HydrophobicContact CE-CG1 4.22Å; M1283-I1294 HydrophobicContact CG-CG1 4.47Å |
| 1284 | K | 92.5 | Very high | 85 | Confident | 133 Ų | 133 | 47 Ų | 47 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 123.1 | 172.9 | -170 | 171.5 | -175.8 | 171.3 | 0 | 111.5 | R1264 A1265 R1293 | R1264-K1284 CarbonylContact O-C 3.37Å; R1264-K1284 WeakPolarHBondContact O-CA 3.33Å; A1265-K1284 HydrophobicContact CB-CB 4.41Å; A1265-K1284 HydrophobicContact CB-CG 4.31Å; K1284-R1293 HydrophobicContact CB-CB 4.48Å; K1284-R1293 PolarHBondContact N-O 3.11Å; K1284-R1293 PolarHBondContact O-N 3.22Å |
| 1285 | I | 89.3 | Confident | 86.1 | Confident | 6 Ų | 6 | 44.6 Ų | 44.6 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.5 | -178.1 | -50.3 | -164 | 0 | 0 | 0 | 110 | L1221 F1242 I1245 R1264 F1287 I1292 | L1221-I1285 HydrophobicContact CD2-CG2 3.68Å; F1242-I1285 HydrophobicContact CD2-CD1 3.58Å; F1242-I1285 HydrophobicContact CD2-CG1 4.19Å; F1242-I1285 HydrophobicContact CE2-CD1 3.95Å; F1242-I1285 HydrophobicContact CE2-CG1 4.19Å; I1245-I1285 HydrophobicContact CD1-CD1 3.33Å; R1264-I1285 PolarHBondContact O-N 2.95Å; I1285-F1287 HydrophobicContact CB-CE2 4.49Å; I1285-F1287 HydrophobicContact CG2-CD1 4.43Å; I1285-F1287 HydrophobicContact CG2-CD2 4.45Å; I1285-F1287 HydrophobicContact CG2-CE1 4.19Å; I1285-F1287 HydrophobicContact CG2-CE2 4.21Å; I1285-F1287 HydrophobicContact CG2-CZ 4.07Å; I1285-I1292 HydrophobicContact CD1-CD1 4.21Å; I1285-I1292 HydrophobicContact CD1-CG1 4.38Å; I1285-I1292 HydrophobicContact CG1-CD1 4.48Å; I1285-I1292 HydrophobicContact CG1-CG1 4.17Å; I1285-I1292 HydrophobicContact CG1-CG2 4.3Å; I1285-I1292 HydrophobicContact CG2-CG1 4.37Å |
| 1286 | S | 87.3 | Confident | 87.5 | Confident | 34 Ų | 34 | 41 Ų | 41 | 24% | 0.238 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 105.7 | 171.4 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | T1288 T1289 G1290 T1291 | S1286-T1288 PolarHBondContact O-N 3.31Å; S1286-T1288 PolarHBondContact OG-OG1 3.44Å; S1286-T1289 WeakPolarHBondContact CB-OG1 3.37Å; S1286-T1289 PolarHBondContact OG-N 2.95Å; S1286-T1289 PolarHBondContact OG-OG1 3.09Å; S1286-G1290 WeakPolarHBondContact O-CA 3.38Å; S1286-G1290 PolarHBondContact O-N 3.02Å; S1286-T1291 PolarHBondContact N-O 2.95Å; S1286-T1291 PolarHBondContact O-N 3.48Å |
| 1287 | F | 79.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -5.5 | 175.7 | -67.2 | -75.3 | 0 | 0 | 0 | 113.6 | L1221 I1225 T1238 I1241 R1264 I1285 | L1221-F1287 HydrophobicContact CD1-CD1 3.98Å; L1221-F1287 HydrophobicContact CD1-CE1 4.02Å; I1225-F1287 WeakPolarHBondContact CD1-O 3.38Å; I1225-F1287 VanDerWaalsContact CG1-O 3.29Å; I1225-F1287 WeakPolarHBondContact CG1-O 3.28Å; T1238-F1287 HydrophobicContact CG2-CB 4.48Å; T1238-F1287 HydrophobicContact CG2-CD1 3.6Å; T1238-F1287 HydrophobicContact CG2-CD2 3.85Å; T1238-F1287 HydrophobicContact CG2-CE1 3.61Å; T1238-F1287 HydrophobicContact CG2-CE2 3.85Å; T1238-F1287 HydrophobicContact CG2-CG 3.72Å; T1238-F1287 HydrophobicContact CG2-CZ 3.74Å; I1241-F1287 HydrophobicContact CB-CE1 4.5Å; I1241-F1287 HydrophobicContact CG2-CE1 4.15Å; R1264-F1287 HydrophobicContact CG-CD2 3.98Å; R1264-F1287 HydrophobicContact CG-CE2 3.72Å; I1285-F1287 HydrophobicContact CB-CE2 4.49Å; I1285-F1287 HydrophobicContact CG2-CD1 4.43Å; I1285-F1287 HydrophobicContact CG2-CD2 4.45Å; I1285-F1287 HydrophobicContact CG2-CE1 4.19Å; I1285-F1287 HydrophobicContact CG2-CE2 4.21Å; I1285-F1287 HydrophobicContact CG2-CZ 4.07Å |
| 1288 | T | 77 | Confident | 88.9 | Confident | 120 Ų | 120 | 35.5 Ų | 35.5 | 74% | 0.736 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -39.5 | 173.2 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | S1286 | S1286-T1288 PolarHBondContact O-N 3.31Å; S1286-T1288 PolarHBondContact OG-OG1 3.44Å |
| 1289 | T | 79.5 | Confident | 88.8 | Confident | 71 Ų | 71 | 36.8 Ų | 36.8 | 44% | 0.436 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -11.5 | -177 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | S1286 T1291 | S1286-T1289 WeakPolarHBondContact CB-OG1 3.37Å; S1286-T1289 PolarHBondContact OG-N 2.95Å; S1286-T1289 PolarHBondContact OG-OG1 3.09Å; T1289-T1291 PolarHBondContact O-N 3.38Å; T1289-T1291 PolarHBondContact OG1-OG1 3.09Å |
| 1290 | G | 82.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 22.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1218 I1225 S1286 | C1218-G1290 PolarHBondContact N-O 2.93Å; I1225-G1290 VanDerWaalsContact CD1-CA 3.44Å; S1286-G1290 WeakPolarHBondContact O-CA 3.38Å; S1286-G1290 PolarHBondContact O-N 3.02Å |
| 1291 | T | 87.8 | Confident | 88.4 | Confident | 30 Ų | 30 | 47.1 Ų | 47.1 | 18% | 0.184 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 141.2 | -176.1 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | I1216 C1217 S1286 T1289 | I1216-T1291 CarbonylContact O-C 3.32Å; I1216-T1291 WeakPolarHBondContact O-CA 3.44Å; C1217-T1291 HydrophobicContact CB-CG2 4.35Å; S1286-T1291 PolarHBondContact N-O 2.95Å; S1286-T1291 PolarHBondContact O-N 3.48Å; T1289-T1291 PolarHBondContact O-N 3.38Å; T1289-T1291 PolarHBondContact OG1-OG1 3.09Å |
| 1292 | I | 90.8 | Very high | 88 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 116.5 | 172.1 | -53.6 | -175.7 | 0 | 0 | 0 | 108.1 | I1216 C1218 I1245 M1283 I1285 I1294 V1315 | I1216-I1292 PolarHBondContact N-O 3.16Å; I1216-I1292 PolarHBondContact O-N 2.99Å; C1218-I1292 HydrophobicContact CB-CD1 4.48Å; I1245-I1292 HydrophobicContact CD1-CD1 3.83Å; I1245-I1292 HydrophobicContact CG2-CD1 4.46Å; M1283-I1292 HydrophobicContact CE-CG2 4.44Å; M1283-I1292 HydrophobicContact CG-CG2 3.48Å; M1283-I1292 VanDerWaalsContact CG-CG2 3.48Å; M1283-I1292 HydrophobicContact SD-CG2 3.75Å; I1285-I1292 HydrophobicContact CD1-CD1 4.21Å; I1285-I1292 HydrophobicContact CD1-CG1 4.38Å; I1285-I1292 HydrophobicContact CG1-CD1 4.48Å; I1285-I1292 HydrophobicContact CG1-CG1 4.17Å; I1285-I1292 HydrophobicContact CG1-CG2 4.3Å; I1285-I1292 HydrophobicContact CG2-CG1 4.37Å; I1292-I1294 HydrophobicContact CG2-CD1 4.36Å; I1292-I1294 HydrophobicContact CG2-CG1 3.92Å; I1292-V1315 HydrophobicContact CB-CG1 4.47Å; I1292-V1315 HydrophobicContact CD1-CG1 3.73Å; I1292-V1315 HydrophobicContact CD1-CG2 4.29Å; I1292-V1315 HydrophobicContact CG1-CG1 4.32Å |
| 1293 | R | 93.2 | Very high | 87.8 | Confident | 91 Ų | 91 | 48.7 Ų | 48.7 | 34% | 0.343 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131 | 169.5 | -176.1 | -179.1 | 174.4 | 92.8 | -8.8 | 108.7 | S1213 T1214 K1215 M1283 K1284 D1295 | S1213-R1293 PolarHBondContact OG-NH1 3.17Å; S1213-R1293 PolarHBondContact OG-NH2 3.13Å; T1214-R1293 CarbonylContact O-C 3.57Å; T1214-R1293 WeakPolarHBondContact O-CA 3.4Å; K1215-R1293 HydrophobicContact CG-CB 4.06Å; K1215-R1293 HydrophobicContact CG-CG 4.09Å; M1283-R1293 CarbonylContact C-O 3.51Å; M1283-R1293 WeakPolarHBondContact CA-O 3.38Å; K1284-R1293 HydrophobicContact CB-CB 4.48Å; K1284-R1293 PolarHBondContact N-O 3.11Å; K1284-R1293 PolarHBondContact O-N 3.22Å; R1293-D1295 IonicContact CZ-OD1 3.41Å; R1293-D1295 IonicContact CZ-OD2 2.78Å; R1293-D1295 IonicContact NE-OD1 3.09Å; R1293-D1295 PolarHBondContact NE-OD1 3.5Å; R1293-D1295 IonicContact NE-OD2 2.82Å; R1293-D1295 PolarHBondContact NE-OD2 3.28Å; R1293-D1295 IonicContact NH2-OD1 3.05Å; R1293-D1295 IonicContact NH2-OD2 2.67Å; R1293-D1295 PolarHBondContact NH2-OD2 3.26Å |
| 1294 | I | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.4 | 177.6 | -54.1 | -174.5 | 0 | 0 | 0 | 107.8 | S1213 T1214 I1216 I1281 L1282 M1283 I1292 I1296 L1311 V1315 | S1213-I1294 WeakPolarHBondContact CA-O 3.38Å; T1214-I1294 HydrophobicContact CG2-CB 3.93Å; T1214-I1294 PolarHBondContact N-O 2.77Å; T1214-I1294 PolarHBondContact O-N 3.49Å; I1216-I1294 HydrophobicContact CD1-CD1 3.61Å; I1216-I1294 HydrophobicContact CD1-CG1 4.2Å; I1281-I1294 HydrophobicContact CG2-CG2 3.67Å; L1282-I1294 WeakPolarHBondContact O-CA 3.23Å; M1283-I1294 HydrophobicContact CE-CD1 3.91Å; M1283-I1294 HydrophobicContact CE-CG1 4.22Å; M1283-I1294 HydrophobicContact CG-CG1 4.47Å; I1292-I1294 HydrophobicContact CG2-CD1 4.36Å; I1292-I1294 HydrophobicContact CG2-CG1 3.92Å; I1294-I1296 HydrophobicContact CG2-CD1 3.99Å; I1294-I1296 HydrophobicContact CG2-CG1 3.71Å; I1294-L1311 HydrophobicContact CD1-CB 3.95Å; I1294-L1311 HydrophobicContact CD1-CD1 4.19Å; I1294-L1311 HydrophobicContact CD1-CG 4.47Å; I1294-L1311 HydrophobicContact CG2-CD1 3.93Å; I1294-V1315 HydrophobicContact CD1-CG2 4.32Å |
| 1295 | D | 93.8 | Very high | 87.4 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112 | -179.4 | -72.8 | -6.4 | 0 | 0 | 0 | 107.4 | F1211 S1213 L1282 R1293 | F1211-D1295 HydrophobicContact CE2-CB 3.95Å; F1211-D1295 HydrophobicContact CZ-CB 4.44Å; S1213-D1295 WeakPolarHBondContact CA-OD1 3.44Å; S1213-D1295 WeakPolarHBondContact CB-OD1 3.43Å; S1213-D1295 PolarHBondContact OG-OD1 3.05Å; L1282-D1295 HydrophobicContact CB-CB 4.19Å; L1282-D1295 PolarHBondContact N-O 3.26Å; L1282-D1295 PolarHBondContact O-N 3.3Å; R1293-D1295 IonicContact CZ-OD1 3.41Å; R1293-D1295 IonicContact CZ-OD2 2.78Å; R1293-D1295 IonicContact NE-OD1 3.09Å; R1293-D1295 PolarHBondContact NE-OD1 3.5Å; R1293-D1295 IonicContact NE-OD2 2.82Å; R1293-D1295 PolarHBondContact NE-OD2 3.28Å; R1293-D1295 IonicContact NH2-OD1 3.05Å; R1293-D1295 IonicContact NH2-OD2 2.67Å; R1293-D1295 PolarHBondContact NH2-OD2 3.26Å |
| 1296 | I | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 133.9 | -174 | -50.2 | -171.3 | 0 | 0 | 0 | 109.7 | F1211 Q1212 L1279 C1280 I1281 I1294 V1304 C1307 V1308 L1311 | F1211-I1296 WeakPolarHBondContact CA-O 3.43Å; F1211-I1296 WeakPolarHBondContact CD2-O 3.47Å; Q1212-I1296 PolarHBondContact N-O 3.18Å; Q1212-I1296 PolarHBondContact O-N 2.87Å; L1279-I1296 HydrophobicContact CD2-CG2 3.53Å; C1280-I1296 WeakPolarHBondContact O-CA 3.09Å; I1281-I1296 HydrophobicContact CG1-CD1 4.41Å; I1281-I1296 HydrophobicContact CG1-CG1 4.23Å; I1281-I1296 HydrophobicContact CG1-CG2 4.22Å; I1281-I1296 HydrophobicContact CG2-CG1 4.4Å; I1294-I1296 HydrophobicContact CG2-CD1 3.99Å; I1294-I1296 HydrophobicContact CG2-CG1 3.71Å; I1296-V1304 HydrophobicContact CB-CG1 4.16Å; I1296-V1304 HydrophobicContact CG2-CG1 4.24Å; I1296-V1304 HydrophobicContact CG2-CG2 4.33Å; I1296-C1307 HydrophobicContact CD1-CB 3.96Å; I1296-V1308 HydrophobicContact CD1-CB 4.4Å; I1296-V1308 HydrophobicContact CD1-CG2 3.49Å; I1296-V1308 VanDerWaalsContact CD1-CG2 3.49Å; I1296-V1308 HydrophobicContact CG1-CG2 4.11Å; I1296-L1311 HydrophobicContact CD1-CD1 3.7Å |
| 1297 | R | 92.4 | Very high | 87.3 | Confident | 100 Ų | 100 | 46.3 Ų | 46.3 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.1 | 175.4 | -69.7 | -174.8 | -177.9 | -168.3 | 2.1 | 111.2 | L1203 L1208 S1210 F1211 C1280 | L1203-R1297 HydrophobicContact CD2-CB 4.46Å; L1208-R1297 HydrophobicContact CB-CB 4Å; L1208-R1297 HydrophobicContact CD1-CB 3.81Å; S1210-R1297 WeakPolarHBondContact O-CA 3.45Å; F1211-R1297 HydrophobicContact CB-CG 4.26Å; F1211-R1297 HydrophobicContact CD2-CG 3.53Å; F1211-R1297 HydrophobicContact CE2-CG 4.35Å; F1211-R1297 HydrophobicContact CG-CG 4.34Å; C1280-R1297 PolarHBondContact N-O 3.09Å; C1280-R1297 PolarHBondContact O-N 3.45Å |
| 1298 | S | 91.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 175 | 174.5 | -162.8 | 0 | 0 | 0 | 0 | 110.8 | L1208 N1209 S1210 P1278 | L1208-S1298 CarbonylContact C-O 3.58Å; L1208-S1298 VanDerWaalsContact C-O 3.32Å; L1208-S1298 WeakPolarHBondContact CA-O 3.24Å; N1209-S1298 PolarHBondContact N-O 2.95Å; S1210-S1298 WeakPolarHBondContact CB-O 3.38Å; S1210-S1298 PolarHBondContact N-O 2.95Å; S1210-S1298 PolarHBondContact O-N 3.33Å; P1278-S1298 WeakPolarHBondContact O-CB 3.34Å; P1278-S1298 PolarHBondContact O-OG 3.44Å |
| 1299 | T | 85.2 | Confident | 88.4 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -74.9 | -31.8 | 173 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | E1207 L1208 E1277 | E1207-T1299 WeakPolarHBondContact O-CG2 3.5Å; L1208-T1299 HydrophobicContact CD2-CG2 4.16Å; E1277-T1299 PolarHBondContact OE2-OG1 2.92Å |
| 1300 | K | 84.9 | Confident | 88.7 | Confident | 93 Ų | 93 | 42.2 Ų | 42.2 | 40% | 0.404 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -119.3 | 147.9 | 176.4 | -63.9 | -168 | -165.6 | 133.7 | 0 | 114 | S1210 L1275 E1277 V1304 | S1210-K1300 VanDerWaalsContact OG-C 3.31Å; L1275-K1300 HydrophobicContact CD1-CD 4.19Å; E1277-K1300 WeakPolarHBondContact OE1-CD 3.32Å; E1277-K1300 WeakPolarHBondContact OE1-CE 3.42Å; E1277-K1300 WeakPolarHBondContact OE1-CG 3.4Å; E1277-K1300 IonicContact OE1-NZ 3.29Å; E1277-K1300 PolarHBondContact OE1-NZ 2.67Å; E1277-K1300 WeakPolarHBondContact OE2-CB 3.39Å; E1277-K1300 WeakPolarHBondContact OE2-CG 3.32Å; E1277-K1300 PolarHBondContact OE2-N 2.97Å; E1277-K1300 VanDerWaalsContact OE2-N 3.11Å; K1300-V1304 WeakPolarHBondContact O-CG2 3.08Å |
| 1301 | E | 86.3 | Confident | 89.1 | Confident | 127 Ų | 127 | 42.3 Ų | 42.3 | 59% | 0.593 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -70.7 | -37.6 | -177.9 | -174 | 165.7 | -164.9 | 0 | 0 | 112.7 | S1210 A1303 V1304 H1305 | S1210-E1301 PolarHBondContact OG-N 2.96Å; S1210-E1301 VanDerWaalsContact OG-N 3.13Å; E1301-A1303 VanDerWaalsContact C-N 3.35Å; E1301-A1303 PolarHBondContact O-N 2.83Å; E1301-V1304 WeakPolarHBondContact O-CB 3.32Å; E1301-V1304 PolarHBondContact O-N 3.38Å; E1301-V1304 VanDerWaalsContact O-N 3.17Å; E1301-H1305 PolarHBondContact O-N 3.24Å |
| 1302 | D | 84.5 | Confident | 89.1 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 65% | 0.647 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -62.1 | -40.1 | 179.2 | -63.8 | -26.6 | 0 | 0 | 0 | 112.7 | V1304 H1305 S1306 | D1302-V1304 VanDerWaalsContact C-N 3.33Å; D1302-H1305 PolarHBondContact O-N 3.44Å; D1302-S1306 VanDerWaalsContact O-CB 3.24Å; D1302-S1306 WeakPolarHBondContact O-CB 3.42Å; D1302-S1306 PolarHBondContact O-N 3.36Å |
| 1303 | A | 86.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y1272 L1279 E1301 C1307 | Y1272-A1303 HydrophobicContact CD1-CB 4.08Å; Y1272-A1303 HydrophobicContact CG-CB 4.19Å; L1279-A1303 HydrophobicContact CD2-CB 4.42Å; E1301-A1303 VanDerWaalsContact C-N 3.35Å; E1301-A1303 PolarHBondContact O-N 2.83Å; A1303-C1307 VanDerWaalsContact O-CB 3.29Å; A1303-C1307 WeakPolarHBondContact O-CB 3.43Å; A1303-C1307 PolarHBondContact O-N 2.95Å |
| 1304 | V | 89.5 | Confident | 88.6 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.7 | -51.3 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 110.7 | Q1212 L1279 I1296 K1300 E1301 D1302 S1306 C1307 V1308 | Q1212-V1304 HydrophobicContact CB-CG1 3.29Å; Q1212-V1304 HydrophobicContact CG-CG1 4.47Å; L1279-V1304 HydrophobicContact CD2-CG2 4.49Å; I1296-V1304 HydrophobicContact CB-CG1 4.16Å; I1296-V1304 HydrophobicContact CG2-CG1 4.24Å; I1296-V1304 HydrophobicContact CG2-CG2 4.33Å; K1300-V1304 WeakPolarHBondContact O-CG2 3.08Å; E1301-V1304 WeakPolarHBondContact O-CB 3.32Å; E1301-V1304 PolarHBondContact O-N 3.38Å; E1301-V1304 VanDerWaalsContact O-N 3.17Å; D1302-V1304 VanDerWaalsContact C-N 3.33Å; V1304-S1306 VanDerWaalsContact C-N 3.34Å; V1304-S1306 PolarHBondContact O-N 3.33Å; V1304-C1307 PolarHBondContact O-N 3.45Å; V1304-V1308 HydrophobicContact CG1-CG2 4.36Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.49Å; V1304-V1308 PolarHBondContact O-N 2.71Å |
| 1305 | H | 88 | Confident | 88.3 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 44% | 0.444 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 179.5 | -91.9 | -80.3 | 0 | 0 | 0 | 112.6 | E1301 D1302 V1308 A1309 | E1301-H1305 PolarHBondContact O-N 3.24Å; D1302-H1305 PolarHBondContact O-N 3.44Å; H1305-V1308 PolarHBondContact O-N 3.36Å; H1305-A1309 WeakPolarHBondContact O-CB 3.44Å; H1305-A1309 PolarHBondContact O-N 3.34Å |
| 1306 | S | 85.8 | Confident | 87.9 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | T1185 D1302 V1304 A1309 H1310 | T1185-S1306 WeakPolarHBondContact CG2-OG 3.49Å; D1302-S1306 VanDerWaalsContact O-CB 3.24Å; D1302-S1306 WeakPolarHBondContact O-CB 3.42Å; D1302-S1306 PolarHBondContact O-N 3.36Å; V1304-S1306 VanDerWaalsContact C-N 3.34Å; V1304-S1306 PolarHBondContact O-N 3.33Å; S1306-A1309 PolarHBondContact O-N 3.23Å; S1306-H1310 WeakPolarHBondContact O-CB 3.41Å; S1306-H1310 PolarHBondContact O-N 2.75Å |
| 1307 | C | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 177.7 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | F1187 L1279 I1296 A1303 V1304 A1309 H1310 L1311 | F1187-C1307 HydrophobicContact CE1-CB 4.09Å; F1187-C1307 HydrophobicContact CZ-CB 4.18Å; L1279-C1307 HydrophobicContact CD1-CB 4.41Å; L1279-C1307 HydrophobicContact CD2-CB 3.97Å; I1296-C1307 HydrophobicContact CD1-CB 3.96Å; A1303-C1307 VanDerWaalsContact O-CB 3.29Å; A1303-C1307 WeakPolarHBondContact O-CB 3.43Å; A1303-C1307 PolarHBondContact O-N 2.95Å; V1304-C1307 PolarHBondContact O-N 3.45Å; C1307-A1309 PolarHBondContact O-N 3.3Å; C1307-H1310 PolarHBondContact O-N 3.25Å; C1307-L1311 WeakPolarHBondContact O-CB 3.34Å; C1307-L1311 WeakPolarHBondContact O-CG 3.49Å; C1307-L1311 PolarHBondContact O-N 3.23Å |
| 1308 | V | 90.5 | Very high | 87 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 175.8 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | Q1212 T1214 I1296 V1304 H1305 H1310 T1312 | Q1212-V1308 HydrophobicContact CB-CG2 4.19Å; Q1212-V1308 HydrophobicContact CG-CG2 4.15Å; T1214-V1308 HydrophobicContact CG2-CG1 3.96Å; I1296-V1308 HydrophobicContact CD1-CB 4.4Å; I1296-V1308 HydrophobicContact CD1-CG2 3.49Å; I1296-V1308 VanDerWaalsContact CD1-CG2 3.49Å; I1296-V1308 HydrophobicContact CG1-CG2 4.11Å; V1304-V1308 HydrophobicContact CG1-CG2 4.36Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.49Å; V1304-V1308 PolarHBondContact O-N 2.71Å; H1305-V1308 PolarHBondContact O-N 3.36Å; V1308-H1310 PolarHBondContact O-N 3.18Å; V1308-T1312 VanDerWaalsContact O-CB 3.26Å; V1308-T1312 WeakPolarHBondContact O-CB 3.4Å; V1308-T1312 PolarHBondContact O-N 3.41Å; V1308-T1312 PolarHBondContact O-OG1 3.24Å |
| 1309 | A | 87.3 | Confident | 86.5 | Confident | 54 Ų | 54 | 58 Ų | 58 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | H1305 S1306 C1307 T1312 N1313 | H1305-A1309 WeakPolarHBondContact O-CB 3.44Å; H1305-A1309 PolarHBondContact O-N 3.34Å; S1306-A1309 PolarHBondContact O-N 3.23Å; C1307-A1309 PolarHBondContact O-N 3.3Å; A1309-T1312 PolarHBondContact O-N 2.98Å; A1309-N1313 PolarHBondContact O-N 3.46Å; A1309-N1313 VanDerWaalsContact O-N 3.14Å |
| 1310 | H | 87.4 | Confident | 86.1 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 26% | 0.259 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65 | -48.6 | 178.9 | -165.3 | -175.3 | 0 | 0 | 0 | 111.9 | F1187 S1306 C1307 V1308 T1312 N1313 L1314 | F1187-H1310 AromaticContact CD2-ND1 3.89Å; F1187-H1310 AromaticContact CE2-ND1 3.4Å; F1187-H1310 WeakPolarHBondContact CE2-ND1 3.46Å; S1306-H1310 WeakPolarHBondContact O-CB 3.41Å; S1306-H1310 PolarHBondContact O-N 2.75Å; C1307-H1310 PolarHBondContact O-N 3.25Å; V1308-H1310 PolarHBondContact O-N 3.18Å; H1310-T1312 VanDerWaalsContact C-N 3.32Å; H1310-T1312 PolarHBondContact O-N 3.02Å; H1310-N1313 PolarHBondContact O-N 3.45Å; H1310-L1314 WeakPolarHBondContact O-CB 3.03Å; H1310-L1314 PolarHBondContact O-N 3.09Å |
| 1311 | L | 88.8 | Confident | 85.2 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.4 | -76.2 | 169.4 | 0 | 0 | 0 | 112.4 | L1249 I1253 I1281 I1294 I1296 C1307 L1314 V1315 | L1249-L1311 HydrophobicContact CD2-CD2 3.29Å; I1253-L1311 HydrophobicContact CD1-CD2 3.45Å; I1253-L1311 VanDerWaalsContact CD1-CD2 3.45Å; I1253-L1311 HydrophobicContact CD1-CG 3.83Å; I1281-L1311 HydrophobicContact CD1-CD1 4.19Å; I1281-L1311 HydrophobicContact CG2-CD1 4.32Å; I1294-L1311 HydrophobicContact CD1-CB 3.95Å; I1294-L1311 HydrophobicContact CD1-CD1 4.19Å; I1294-L1311 HydrophobicContact CD1-CG 4.47Å; I1294-L1311 HydrophobicContact CG2-CD1 3.93Å; I1296-L1311 HydrophobicContact CD1-CD1 3.7Å; C1307-L1311 WeakPolarHBondContact O-CB 3.34Å; C1307-L1311 WeakPolarHBondContact O-CG 3.49Å; C1307-L1311 PolarHBondContact O-N 3.23Å; L1311-L1314 PolarHBondContact O-N 2.9Å; L1311-V1315 WeakPolarHBondContact O-CB 3.15Å; L1311-V1315 VanDerWaalsContact O-CG2 3.31Å; L1311-V1315 WeakPolarHBondContact O-CG2 3.43Å; L1311-V1315 PolarHBondContact O-N 3.33Å |
| 1312 | T | 88.2 | Confident | 83.8 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.16 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.9 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | I1216 V1308 A1309 H1310 K1316 | I1216-T1312 HydrophobicContact CG1-CG2 4.23Å; I1216-T1312 HydrophobicContact CG2-CG2 4.41Å; V1308-T1312 VanDerWaalsContact O-CB 3.26Å; V1308-T1312 WeakPolarHBondContact O-CB 3.4Å; V1308-T1312 PolarHBondContact O-N 3.41Å; V1308-T1312 PolarHBondContact O-OG1 3.24Å; A1309-T1312 PolarHBondContact O-N 2.98Å; H1310-T1312 VanDerWaalsContact C-N 3.32Å; H1310-T1312 PolarHBondContact O-N 3.02Å; T1312-K1316 HydrophobicContact CG2-CD 4.33Å; T1312-K1316 WeakPolarHBondContact O-CB 3.27Å; T1312-K1316 VanDerWaalsContact O-CG 3.29Å; T1312-K1316 WeakPolarHBondContact O-CG 3.4Å; T1312-K1316 PolarHBondContact O-N 3.07Å |
| 1313 | N | 86.9 | Confident | 83.7 | Confident | 97 Ų | 97 | 54.4 Ų | 54.4 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.6 | -41 | 175.9 | -81.1 | -21.3 | 0 | 0 | 0 | 111.9 | A1309 H1310 K1316 Q1317 | A1309-N1313 PolarHBondContact O-N 3.46Å; A1309-N1313 VanDerWaalsContact O-N 3.14Å; H1310-N1313 PolarHBondContact O-N 3.45Å; N1313-K1316 PolarHBondContact O-N 2.98Å; N1313-Q1317 WeakPolarHBondContact O-CG 3.41Å; N1313-Q1317 PolarHBondContact O-N 3.44Å |
| 1314 | L | 87.3 | Confident | 83.6 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -52.4 | -179.8 | -173.5 | 155.1 | 0 | 0 | 0 | 111.4 | V1248 L1249 K1252 I1253 H1310 L1311 K1316 Q1317 I1318 | V1248-L1314 HydrophobicContact CG1-CD2 3.9Å; V1248-L1314 HydrophobicContact CG1-CG 4.35Å; L1249-L1314 HydrophobicContact CD2-CD1 4.36Å; L1249-L1314 HydrophobicContact CD2-CD2 3.74Å; L1249-L1314 HydrophobicContact CG-CD2 4.4Å; K1252-L1314 HydrophobicContact CB-CD1 3.35Å; K1252-L1314 HydrophobicContact CD-CD1 4.39Å; K1252-L1314 HydrophobicContact CG-CD1 3.85Å; I1253-L1314 HydrophobicContact CD1-CD1 4.27Å; I1253-L1314 HydrophobicContact CG1-CD1 4.36Å; H1310-L1314 WeakPolarHBondContact O-CB 3.03Å; H1310-L1314 PolarHBondContact O-N 3.09Å; L1311-L1314 PolarHBondContact O-N 2.9Å; L1314-K1316 VanDerWaalsContact C-N 3.27Å; L1314-K1316 PolarHBondContact O-N 2.87Å; L1314-Q1317 PolarHBondContact O-N 3.15Å; L1314-I1318 HydrophobicContact CD2-CD1 3.95Å; L1314-I1318 HydrophobicContact CD2-CG1 4.15Å; L1314-I1318 WeakPolarHBondContact O-CG1 3.24Å; L1314-I1318 PolarHBondContact O-N 3.08Å |
| 1315 | V | 86.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | -179.5 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | I1216 C1218 I1292 I1294 L1311 Q1317 | I1216-V1315 HydrophobicContact CB-CG1 4.12Å; I1216-V1315 HydrophobicContact CD1-CB 4.49Å; I1216-V1315 HydrophobicContact CD1-CG2 4.48Å; I1216-V1315 HydrophobicContact CG2-CB 3.95Å; I1216-V1315 HydrophobicContact CG2-CG1 3.59Å; C1218-V1315 HydrophobicContact CB-CG1 4Å; I1292-V1315 HydrophobicContact CB-CG1 4.47Å; I1292-V1315 HydrophobicContact CD1-CG1 3.73Å; I1292-V1315 HydrophobicContact CD1-CG2 4.29Å; I1292-V1315 HydrophobicContact CG1-CG1 4.32Å; I1294-V1315 HydrophobicContact CD1-CG2 4.32Å; L1311-V1315 WeakPolarHBondContact O-CB 3.15Å; L1311-V1315 VanDerWaalsContact O-CG2 3.31Å; L1311-V1315 WeakPolarHBondContact O-CG2 3.43Å; L1311-V1315 PolarHBondContact O-N 3.33Å; V1315-Q1317 VanDerWaalsContact C-N 3.27Å; V1315-Q1317 PolarHBondContact O-N 3.33Å |
| 1316 | K | 85.2 | Confident | 83 | Confident | 119 Ų | 119 | 58.1 Ų | 58.1 | 52% | 0.517 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.3 | -24.1 | 176.2 | -75.3 | 177.2 | -179.7 | 179.2 | 0 | 113.2 | I1216 T1312 N1313 L1314 | I1216-K1316 HydrophobicContact CG2-CG 4.16Å; T1312-K1316 HydrophobicContact CG2-CD 4.33Å; T1312-K1316 WeakPolarHBondContact O-CB 3.27Å; T1312-K1316 VanDerWaalsContact O-CG 3.29Å; T1312-K1316 WeakPolarHBondContact O-CG 3.4Å; T1312-K1316 PolarHBondContact O-N 3.07Å; N1313-K1316 PolarHBondContact O-N 2.98Å; L1314-K1316 VanDerWaalsContact C-N 3.27Å; L1314-K1316 PolarHBondContact O-N 2.87Å |
| 1317 | Q | 83 | Confident | 82.8 | Confident | 141 Ų | 141 | 60.3 Ų | 60.3 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -95.3 | -10.5 | -178.8 | -70.4 | 178.8 | 5.3 | 0 | 0 | 113.8 | N1313 L1314 V1315 K1319 | N1313-Q1317 WeakPolarHBondContact O-CG 3.41Å; N1313-Q1317 PolarHBondContact O-N 3.44Å; L1314-Q1317 PolarHBondContact O-N 3.15Å; V1315-Q1317 VanDerWaalsContact C-N 3.27Å; V1315-Q1317 PolarHBondContact O-N 3.33Å; Q1317-K1319 PolarHBondContact O-N 3.18Å |
| 1318 | I | 84.3 | Confident | 82.3 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | trans | -62 | 122.3 | 178.6 | -58.8 | -179 | 0 | 0 | 0 | 109.3 | S1220 I1245 V1248 L1314 F1320 | S1220-I1318 WeakPolarHBondContact CB-O 3.48Å; S1220-I1318 PolarHBondContact OG-O 3.09Å; S1220-I1318 VanDerWaalsContact OG-O 3.07Å; I1245-I1318 HydrophobicContact CG1-CD1 4.16Å; I1245-I1318 HydrophobicContact CG2-CD1 4.29Å; V1248-I1318 HydrophobicContact CG1-CD1 4.47Å; V1248-I1318 HydrophobicContact CG1-CG1 4.23Å; L1314-I1318 HydrophobicContact CD2-CD1 3.95Å; L1314-I1318 HydrophobicContact CD2-CG1 4.15Å; L1314-I1318 WeakPolarHBondContact O-CG1 3.24Å; L1314-I1318 PolarHBondContact O-N 3.08Å; I1318-F1320 HydrophobicContact CG2-CD1 3.94Å; I1318-F1320 HydrophobicContact CG2-CE1 3.39Å; I1318-F1320 HydrophobicContact CG2-CE2 4.35Å; I1318-F1320 HydrophobicContact CG2-CZ 3.63Å | ||
| 1319 | K | 81 | Confident | 81.8 | Confident | 177 Ų | 177 | 68.2 Ų | 68.2 | 77% | 0.77 | 34% | 0.344 | S | S | * | . | trans | -108.7 | 136.4 | 165.2 | -66.7 | -175.9 | 179.8 | -179.1 | 0 | 108.1 | Q1317 | Q1317-K1319 PolarHBondContact O-N 3.18Š| ||
| 1320 | F | 77.5 | Confident | 81.3 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | trans | -98.6 | 121.9 | 177.2 | -57.2 | -63.7 | 0 | 0 | 0 | 108.6 | L1221 I1224 I1241 Q1244 I1245 I1318 L1322 | L1221-F1320 HydrophobicContact CB-CE2 3.91Å; L1221-F1320 HydrophobicContact CD1-CE2 4.5Å; I1224-F1320 HydrophobicContact CD1-CB 3.79Å; I1224-F1320 HydrophobicContact CD1-CD2 3.51Å; I1224-F1320 HydrophobicContact CD1-CE2 4.47Å; I1224-F1320 HydrophobicContact CD1-CG 3.93Å; I1241-F1320 HydrophobicContact CG1-CD1 4.47Å; I1241-F1320 HydrophobicContact CG1-CG 4.45Å; I1241-F1320 HydrophobicContact CG2-CD1 4.24Å; I1241-F1320 HydrophobicContact CG2-CE1 3.79Å; I1241-F1320 HydrophobicContact CG2-CE2 4.23Å; I1241-F1320 HydrophobicContact CG2-CZ 3.79Å; Q1244-F1320 HydrophobicContact CB-CD1 4.17Å; Q1244-F1320 HydrophobicContact CB-CE1 4.43Å; Q1244-F1320 VanDerWaalsContact OE1-CD1 3.29Å; I1245-F1320 HydrophobicContact CD1-CE1 4.07Å; I1245-F1320 HydrophobicContact CD1-CZ 3.84Å; I1245-F1320 HydrophobicContact CG1-CE1 3.59Å; I1245-F1320 HydrophobicContact CG1-CZ 3.79Å; I1318-F1320 HydrophobicContact CG2-CD1 3.94Å; I1318-F1320 HydrophobicContact CG2-CE1 3.39Å; I1318-F1320 HydrophobicContact CG2-CE2 4.35Å; I1318-F1320 HydrophobicContact CG2-CZ 3.63Å; F1320-L1322 PolarHBondContact O-N 3.46Å | ||
| 1321 | D | 64.9 | Low | 80.8 | Confident | 140 Ų | 140 | 70.4 Ų | 70.4 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | trans | -83.3 | 104.7 | 163.6 | -68.4 | -30.3 | 0 | 0 | 0 | 106.3 | Q1244 | Q1244-D1321 PolarHBondContact NE2-O 3.12Š| ||
| 1322 | L | 56.1 | Low | 80.1 | Confident | 102 Ų | 102 | 76.5 Ų | 76.5 | 53% | 0.534 | 37% | 0.372 | S | S | . | . | trans | -89.2 | 0 | -179.8 | -87.4 | 179.6 | 0 | 0 | 0 | 112.8 | I1224 H1237 I1241 F1320 | I1224-L1322 HydrophobicContact CB-CD1 4.23Å; I1224-L1322 HydrophobicContact CD1-CD1 3.49Å; I1224-L1322 VanDerWaalsContact CD1-CD1 3.49Å; I1224-L1322 HydrophobicContact CD1-CG 3.94Å; I1224-L1322 HydrophobicContact CG1-CD1 3.47Å; I1224-L1322 VanDerWaalsContact CG1-CD1 3.47Å; I1224-L1322 HydrophobicContact CG1-CG 4.43Å; I1224-L1322 HydrophobicContact CG2-CD1 3.74Å; H1237-L1322 HydrophobicContact CB-CD2 4.37Å; H1237-L1322 VanDerWaalsContact CD2-CD2 3.45Å; H1237-L1322 WeakPolarHBondContact CD2-CD2 3.32Å; I1241-L1322 HydrophobicContact CG1-CD2 4.34Å; F1320-L1322 PolarHBondContact O-N 3.46Å |
Retrieved 1,322 of 1,322 residues in 1108.9 ms
(Link to these results)