| 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 | 31.4 | Very low | 57.8 | Low | 245 Ų | 245 | 104.6 Ų | 104.6 | 100% | 1.207 | 59% | 0.593 | S | S | * | * | 0 | 120.8 | 0 | -77.9 | 172.9 | 169.9 | 0 | 0 | 105.7 | |||||
| 2 | G | 35.2 | Very low | 60.1 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | trans | -56.9 | 149.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N4 | G2-N4 PolarHBondContact O-N 3.2Š| ||
| 3 | D | 38.7 | Very low | 62 | Low | 174 Ų | 174 | 101.1 Ų | 101.1 | 93% | 0.93 | 57% | 0.568 | S | S | * | * | trans | -59.6 | 80.4 | 159 | -71.1 | -37.8 | 0 | 0 | 0 | 107.2 | D5 | D3-D5 PolarHBondContact O-N 2.75Š| ||
| 4 | N | 41.4 | Very low | 64 | Low | 146 Ų | 146 | 94.8 Ų | 94.8 | 78% | 0.781 | 53% | 0.533 | S | S | * | . | trans | -57.6 | 126.6 | 172.3 | -86.6 | -5.3 | 0 | 0 | 0 | 107 | G2 S6 | G2-N4 PolarHBondContact O-N 3.2Å; N4-S6 PolarHBondContact O-N 2.99Å | ||
| 5 | D | 44.3 | Very low | 65.8 | Low | 160 Ų | 160 | 89.8 Ų | 89.8 | 86% | 0.856 | 50% | 0.504 | S | S | * | . | trans | -35.8 | 109.9 | 172.5 | -76.2 | -48.8 | 0 | 0 | 0 | 110.4 | D3 S7 | D3-D5 PolarHBondContact O-N 2.75Å; D5-S7 PolarHBondContact O-N 2.69Å | ||
| 6 | S | 49 | Very low | 67.5 | Low | 59 Ų | 59 | 94.7 Ų | 94.7 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | trans | -72.7 | 112.9 | 179.2 | 21.6 | 0 | 0 | 0 | 0 | 108.3 | N4 G8 K29 | N4-S6 PolarHBondContact O-N 2.99Å; S6-G8 PolarHBondContact O-N 3.38Å; S6-K29 PolarHBondContact OG-NZ 2.84Å | ||
| 7 | S | 63.6 | Low | 68.9 | Low | 36 Ų | 36 | 90.6 Ų | 90.6 | 25% | 0.252 | 49% | 0.489 | S | S | . | . | trans | -46 | 123.5 | 179.5 | -62.9 | 0 | 0 | 0 | 0 | 112.5 | D5 E11 P30 | D5-S7 PolarHBondContact O-N 2.69Å; S7-E11 WeakPolarHBondContact CA-OE2 3.32Å; S7-E11 WeakPolarHBondContact CB-OE2 3.32Å; S7-E11 PolarHBondContact OG-OE2 3.05Å; S7-P30 WeakPolarHBondContact O-CD 3.22Å; S7-P30 VanDerWaalsContact O-CG 3.28Å; S7-P30 WeakPolarHBondContact O-CG 2.98Å | ||
| 8 | G | 81 | Confident | 70.2 | Confident | 17 Ų | 17 | 85.6 Ų | 85.6 | 18% | 0.175 | 46% | 0.462 | C | S | . | . | trans | -66.5 | 166.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S6 D10 E11 | S6-G8 PolarHBondContact O-N 3.38Å; G8-D10 PolarHBondContact O-N 3.25Å; G8-E11 PolarHBondContact N-OE1 3.07Å; G8-E11 PolarHBondContact O-N 3.45Å | ||
| 9 | F | 84.8 | Confident | 71.4 | Confident | 9 Ų | 9 | 83 Ų | 83 | 4% | 0.039 | 45% | 0.448 | C | S | . | . | G | 310 helix | trans | -60.4 | -27.3 | 170.9 | -80 | -80.1 | 0 | 0 | 0 | 112.3 | E11 L12 L14 L19 I22 W27 K29 P30 I38 I63 | F9-E11 PolarHBondContact O-N 3.49Å; F9-L12 HydrophobicContact CD1-CD1 4.01Å; F9-L12 WeakPolarHBondContact O-CB 3.36Å; F9-L12 PolarHBondContact O-N 3.36Å; F9-L14 HydrophobicContact CD1-CD1 4.37Å; F9-L19 HydrophobicContact CB-CD2 3.88Å; F9-I22 HydrophobicContact CD1-CD1 3.79Å; F9-I22 HydrophobicContact CD1-CG2 4.3Å; F9-I22 HydrophobicContact CD2-CG2 3.67Å; F9-I22 HydrophobicContact CE1-CD1 4.08Å; F9-I22 HydrophobicContact CE1-CG2 4.42Å; F9-I22 HydrophobicContact CE2-CG2 3.79Å; F9-I22 HydrophobicContact CG-CD1 4.25Å; F9-I22 HydrophobicContact CG-CG2 3.93Å; F9-I22 HydrophobicContact CZ-CG2 4.16Å; F9-W27 HydrophobicContact CE2-CB 3.95Å; F9-W27 HydrophobicContact CZ-CE3 4.11Å; F9-K29 VanDerWaalsContact CE2-C 3.4Å; F9-P30 HydrophobicContact CD1-CB 4.34Å; F9-P30 HydrophobicContact CE1-CB 3.89Å; F9-P30 HydrophobicContact CE2-CB 4.16Å; F9-P30 VanDerWaalsContact CE2-N 3.33Å; F9-P30 VanDerWaalsContact CZ-CA 3.48Å; F9-P30 HydrophobicContact CZ-CB 3.8Å; F9-I38 HydrophobicContact CE1-CD1 4.46Å; F9-I63 HydrophobicContact CE1-CD1 4.01Å |
| 10 | D | 82.5 | Confident | 72.4 | Confident | 120 Ų | 120 | 84.4 Ų | 84.4 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -65.1 | -26.3 | 179.1 | -54.8 | -49 | 0 | 0 | 0 | 112.8 | G8 L12 | G8-D10 PolarHBondContact O-N 3.25Å; D10-L12 VanDerWaalsContact C-N 3.26Å; D10-L12 PolarHBondContact O-N 3.37Å |
| 11 | E | 84.1 | Confident | 73.4 | Confident | 121 Ų | 121 | 80.5 Ų | 80.5 | 57% | 0.565 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -76.6 | -12.2 | 177.4 | -70.8 | 173.2 | -142.3 | 0 | 0 | 113.3 | S7 G8 F9 N13 | S7-E11 WeakPolarHBondContact CA-OE2 3.32Å; S7-E11 WeakPolarHBondContact CB-OE2 3.32Å; S7-E11 PolarHBondContact OG-OE2 3.05Å; G8-E11 PolarHBondContact N-OE1 3.07Å; G8-E11 PolarHBondContact O-N 3.45Å; F9-E11 PolarHBondContact O-N 3.49Å; E11-N13 PolarHBondContact O-N 3.22Å |
| 12 | L | 85.6 | Confident | 76.2 | Confident | 22 Ų | 22 | 69 Ų | 69 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -82.2 | 1.7 | -179.6 | -62 | 173.5 | 0 | 0 | 0 | 112.9 | F9 D10 L14 I38 P39 | F9-L12 HydrophobicContact CD1-CD1 4.01Å; F9-L12 WeakPolarHBondContact O-CB 3.36Å; F9-L12 PolarHBondContact O-N 3.36Å; D10-L12 VanDerWaalsContact C-N 3.26Å; D10-L12 PolarHBondContact O-N 3.37Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 HydrophobicContact CB-CD1 4.13Å; L12-L14 HydrophobicContact CB-CD2 4.25Å; L12-L14 HydrophobicContact CB-CG 3.84Å; L12-L14 HydrophobicContact CD1-CD1 4.38Å; L12-L14 PolarHBondContact O-N 2.95Å; L12-I38 HydrophobicContact CD1-CB 4.41Å; L12-I38 HydrophobicContact CD1-CD1 4.08Å; L12-I38 HydrophobicContact CD1-CG2 4.12Å; L12-P39 HydrophobicContact CD2-CG 3.71Å |
| 13 | N | 84.6 | Confident | 78.7 | Confident | 141 Ų | 141 | 69.4 Ų | 69.4 | 75% | 0.754 | 37% | 0.369 | S | S | * | . | trans | 50.8 | 45.9 | -178.7 | -65.8 | -35.6 | 0 | 0 | 0 | 113.2 | E11 | E11-N13 PolarHBondContact O-N 3.22Š| ||
| 14 | L | 90 | Very high | 81.2 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | trans | -83.7 | 155.9 | 178.4 | -56.7 | 174.3 | 0 | 0 | 0 | 111.2 | F9 L12 Y16 L19 I22 I38 L42 I63 | F9-L14 HydrophobicContact CD1-CD1 4.37Å; L12-L14 VanDerWaalsContact C-N 3.3Å; L12-L14 HydrophobicContact CB-CD1 4.13Å; L12-L14 HydrophobicContact CB-CD2 4.25Å; L12-L14 HydrophobicContact CB-CG 3.84Å; L12-L14 HydrophobicContact CD1-CD1 4.38Å; L12-L14 PolarHBondContact O-N 2.95Å; L14-Y16 PolarHBondContact O-N 3.42Å; L14-L19 HydrophobicContact CB-CD2 4.11Å; L14-L19 HydrophobicContact CB-CG 4.08Å; L14-L19 HydrophobicContact CD1-CD2 4.12Å; L14-I22 HydrophobicContact CD1-CD1 4.15Å; L14-I38 HydrophobicContact CD2-CG2 4.28Å; L14-L42 HydrophobicContact CD2-CD1 3.9Å; L14-I63 HydrophobicContact CD1-CG2 3.72Å; L14-I63 HydrophobicContact CD2-CG2 3.64Å; L14-I63 HydrophobicContact CG-CG2 4.32Å | ||
| 15 | D | 91.7 | Very high | 83.3 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 11% | 0.107 | 33% | 0.329 | C | S | . | . | trans | -57.1 | 136.7 | 172 | -175.2 | -63.4 | 0 | 0 | 0 | 110.7 | R17 V18 L19 E67 I70 | D15-R17 PolarHBondContact O-N 2.94Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.11Å; D15-R17 WeakPolarHBondContact OD1-CG 3.3Å; D15-R17 IonicContact OD1-CZ 3.51Å; D15-R17 PolarHBondContact OD1-N 3Å; D15-R17 IonicContact OD1-NE 3.47Å; D15-R17 PolarHBondContact OD1-NE 3.29Å; D15-R17 IonicContact OD1-NH2 2.78Å; D15-R17 IonicContact OD2-CZ 3.35Å; D15-R17 IonicContact OD2-NE 2.82Å; D15-R17 PolarHBondContact OD2-NE 2.79Å; D15-R17 IonicContact OD2-NH2 3.76Å; D15-R17 PolarHBondContact OD2-NH2 3.43Å; D15-V18 HydrophobicContact CB-CG2 4.32Å; D15-V18 WeakPolarHBondContact O-CB 3.21Å; D15-V18 PolarHBondContact O-N 3.17Å; D15-L19 PolarHBondContact O-N 3.41Å; D15-L19 VanDerWaalsContact O-N 3.07Å; D15-E67 VanDerWaalsContact CB-OE2 3.29Å; D15-E67 WeakPolarHBondContact CB-OE2 3.37Å; D15-E67 PolarHBondContact N-OE2 3.49Å; D15-I70 HydrophobicContact CB-CD1 4.3Å; D15-I70 WeakPolarHBondContact OD2-CG2 3.44Å | ||
| 16 | Y | 91.7 | Very high | 85.2 | Confident | 168 Ų | 168 | 58 Ų | 58 | 66% | 0.659 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -54.9 | -27.8 | -177 | 78.6 | -84.4 | 0 | 0 | 0 | 113.3 | L14 K20 | L14-Y16 PolarHBondContact O-N 3.42Å; Y16-K20 VanDerWaalsContact O-CB 3.31Å; Y16-K20 WeakPolarHBondContact O-CB 3.48Å; Y16-K20 PolarHBondContact O-N 3.34Å |
| 17 | R | 92.7 | Very high | 87 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.8 | -37.5 | 178.3 | -64.4 | 170.6 | -70.2 | 175.3 | -0.4 | 111.7 | D15 K20 A21 Y106 A107 D110 | D15-R17 PolarHBondContact O-N 2.94Å; D15-R17 VanDerWaalsContact OD1-CB 3.25Å; D15-R17 WeakPolarHBondContact OD1-CB 3.11Å; D15-R17 WeakPolarHBondContact OD1-CG 3.3Å; D15-R17 IonicContact OD1-CZ 3.51Å; D15-R17 PolarHBondContact OD1-N 3Å; D15-R17 IonicContact OD1-NE 3.47Å; D15-R17 PolarHBondContact OD1-NE 3.29Å; D15-R17 IonicContact OD1-NH2 2.78Å; D15-R17 IonicContact OD2-CZ 3.35Å; D15-R17 IonicContact OD2-NE 2.82Å; D15-R17 PolarHBondContact OD2-NE 2.79Å; D15-R17 IonicContact OD2-NH2 3.76Å; D15-R17 PolarHBondContact OD2-NH2 3.43Å; R17-K20 PolarHBondContact O-N 2.87Å; R17-A21 PolarHBondContact O-N 2.77Å; R17-A21 VanDerWaalsContact O-N 3.08Å; R17-Y106 WeakPolarHBondContact CD-O 3.31Å; R17-A107 HydrophobicContact CB-CB 4.27Å; R17-D110 IonicContact CZ-OD2 3.89Å; R17-D110 IonicContact NH1-OD2 3.67Å; R17-D110 PolarHBondContact NH1-OD2 3.03Å; R17-D110 IonicContact NH2-OD2 3.81Å |
| 18 | V | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 174.3 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | D15 K20 A21 I22 I63 I66 I70 | D15-V18 HydrophobicContact CB-CG2 4.32Å; D15-V18 WeakPolarHBondContact O-CB 3.21Å; D15-V18 PolarHBondContact O-N 3.17Å; V18-K20 VanDerWaalsContact C-N 3.3Å; V18-K20 PolarHBondContact O-N 3.45Å; V18-A21 WeakPolarHBondContact O-CB 3.28Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-A21 VanDerWaalsContact O-N 3.09Å; V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 2.8Å; V18-I63 HydrophobicContact CG1-CG1 4.42Å; V18-I63 HydrophobicContact CG1-CG2 4.27Å; V18-I66 HydrophobicContact CG2-CG2 3.84Å; V18-I70 HydrophobicContact CG2-CD1 4.16Å |
| 19 | L | 91.9 | Very high | 88 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 174.3 | -68.1 | 174.2 | 0 | 0 | 0 | 112.1 | F9 L14 D15 A21 I22 A23 | F9-L19 HydrophobicContact CB-CD2 3.88Å; L14-L19 HydrophobicContact CB-CD2 4.11Å; L14-L19 HydrophobicContact CB-CG 4.08Å; L14-L19 HydrophobicContact CD1-CD2 4.12Å; D15-L19 PolarHBondContact O-N 3.41Å; D15-L19 VanDerWaalsContact O-N 3.07Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.34Å; L19-I22 PolarHBondContact O-N 3.21Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.24Å |
| 20 | K | 92.1 | Very high | 88.2 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 175.8 | -167 | 178.8 | -178.7 | 175.1 | 0 | 112.6 | Y16 R17 V18 K24 Y106 | Y16-K20 VanDerWaalsContact O-CB 3.31Å; Y16-K20 WeakPolarHBondContact O-CB 3.48Å; Y16-K20 PolarHBondContact O-N 3.34Å; R17-K20 PolarHBondContact O-N 2.87Å; V18-K20 VanDerWaalsContact C-N 3.3Å; V18-K20 PolarHBondContact O-N 3.45Å; K20-K24 PolarHBondContact O-N 3.43Å; K20-K24 VanDerWaalsContact O-N 3.13Å; K20-Y106 HydrophobicContact CB-CD2 3.87Å; K20-Y106 HydrophobicContact CB-CE2 4.11Å; K20-Y106 HydrophobicContact CB-CG 4.42Å; K20-Y106 HydrophobicContact CD-CD1 3.89Å; K20-Y106 HydrophobicContact CD-CD2 3.99Å; K20-Y106 HydrophobicContact CD-CE1 3.88Å; K20-Y106 HydrophobicContact CD-CE2 3.99Å; K20-Y106 HydrophobicContact CD-CG 3.95Å; K20-Y106 HydrophobicContact CG-CD2 3.81Å; K20-Y106 HydrophobicContact CG-CE1 4.39Å; K20-Y106 HydrophobicContact CG-CE2 3.61Å; K20-Y106 HydrophobicContact CG-CG 4.29Å |
| 21 | A | 92.2 | Very high | 88.3 | Confident | 2 Ų | 2 | 68.2 Ų | 68.2 | 2% | 0.017 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R17 V18 L19 A23 K24 L25 L103 Y106 | R17-A21 PolarHBondContact O-N 2.77Å; R17-A21 VanDerWaalsContact O-N 3.08Å; V18-A21 WeakPolarHBondContact O-CB 3.28Å; V18-A21 PolarHBondContact O-N 3.35Å; V18-A21 VanDerWaalsContact O-N 3.09Å; L19-A21 VanDerWaalsContact C-N 3.34Å; L19-A21 PolarHBondContact O-N 3.34Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.23Å; A21-K24 PolarHBondContact O-N 3.45Å; A21-L25 WeakPolarHBondContact O-CG 3.33Å; A21-L25 PolarHBondContact O-N 3.41Å; A21-L103 WeakPolarHBondContact CB-O 3.38Å; A21-Y106 HydrophobicContact CB-CD2 4.04Å; A21-Y106 HydrophobicContact CB-CE2 4.49Å |
| 22 | I | 91.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.7 | -68.3 | 168.6 | 0 | 0 | 0 | 110.9 | F9 L14 V18 L19 K24 L25 G26 W27 I63 L103 | F9-I22 HydrophobicContact CD1-CD1 3.79Å; F9-I22 HydrophobicContact CD1-CG2 4.3Å; F9-I22 HydrophobicContact CD2-CG2 3.67Å; F9-I22 HydrophobicContact CE1-CD1 4.08Å; F9-I22 HydrophobicContact CE1-CG2 4.42Å; F9-I22 HydrophobicContact CE2-CG2 3.79Å; F9-I22 HydrophobicContact CG-CD1 4.25Å; F9-I22 HydrophobicContact CG-CG2 3.93Å; F9-I22 HydrophobicContact CZ-CG2 4.16Å; L14-I22 HydrophobicContact CD1-CD1 4.15Å; V18-I22 HydrophobicContact CG1-CD1 3.96Å; V18-I22 VanDerWaalsContact O-CG1 3.31Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 2.8Å; L19-I22 PolarHBondContact O-N 3.21Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.8Å; I22-L25 WeakPolarHBondContact O-CB 3.24Å; I22-L25 PolarHBondContact O-N 3.39Å; I22-G26 PolarHBondContact O-N 2.83Å; I22-W27 HydrophobicContact CG1-CE3 4.4Å; I22-W27 HydrophobicContact CG2-CB 3.9Å; I22-W27 HydrophobicContact CG2-CE3 4.15Å; I22-W27 PolarHBondContact O-N 2.79Å; I22-I63 HydrophobicContact CD1-CD1 3.83Å; I22-I63 HydrophobicContact CD1-CG1 4.42Å; I22-I63 HydrophobicContact CG1-CD1 4.49Å; I22-L103 HydrophobicContact CG1-CD2 4.11Å |
| 23 | A | 88.3 | Confident | 88.3 | Confident | 72 Ų | 72 | 65 Ų | 65 | 60% | 0.595 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L19 A21 L25 G26 | L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 3.24Å; A21-A23 VanDerWaalsContact C-N 3.34Å; A21-A23 PolarHBondContact O-N 3.23Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.13Å; A23-G26 PolarHBondContact O-N 2.93Å |
| 24 | K | 89.4 | Confident | 88.6 | Confident | 128 Ų | 128 | 58.7 Ų | 58.7 | 56% | 0.557 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.6 | -34.6 | 175.5 | -176.3 | 176.5 | 179.9 | -179.8 | 0 | 112.8 | K20 A21 I22 G26 M105 Y106 | K20-K24 PolarHBondContact O-N 3.43Å; K20-K24 VanDerWaalsContact O-N 3.13Å; A21-K24 PolarHBondContact O-N 3.45Å; I22-K24 VanDerWaalsContact C-N 3.34Å; I22-K24 PolarHBondContact O-N 2.8Å; K24-G26 PolarHBondContact O-N 2.99Å; K24-M105 HydrophobicContact CD-SD 4.36Å; K24-M105 PolarHBondContact NZ-SD 2.99Å; K24-Y106 HydrophobicContact CD-CE2 4.36Å |
| 25 | L | 86.2 | Confident | 88.6 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 31% | 0.314 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.7 | 172.7 | -72.7 | 172.1 | 0 | 0 | 0 | 113 | A21 I22 A23 W27 T102 L103 | A21-L25 WeakPolarHBondContact O-CG 3.33Å; A21-L25 PolarHBondContact O-N 3.41Å; I22-L25 WeakPolarHBondContact O-CB 3.24Å; I22-L25 PolarHBondContact O-N 3.39Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.13Å; L25-W27 HydrophobicContact CB-CD2 4.21Å; L25-W27 HydrophobicContact CB-CG 4.28Å; L25-W27 HydrophobicContact CB-CZ2 4.42Å; L25-W27 HydrophobicContact CD1-CD2 4.49Å; L25-W27 HydrophobicContact CD1-CH2 3.82Å; L25-W27 HydrophobicContact CD1-CZ2 3.75Å; L25-W27 HydrophobicContact CD1-CZ3 4.25Å; L25-T102 HydrophobicContact CD1-CG2 4.32Å; L25-T102 HydrophobicContact CD2-CG2 3.72Å; L25-T102 HydrophobicContact CG-CG2 4.25Å; L25-L103 HydrophobicContact CD1-CD2 3.69Å; L25-L103 HydrophobicContact CD1-CG 4.4Å |
| 26 | G | 84.8 | Confident | 88.5 | Confident | 53 Ų | 53 | 63.8 Ų | 63.8 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 19.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I22 A23 K24 K28 | I22-G26 PolarHBondContact O-N 2.83Å; A23-G26 PolarHBondContact O-N 2.93Å; K24-G26 PolarHBondContact O-N 2.99Å; G26-K28 PolarHBondContact O-N 2.82Å |
| 27 | W | 86.2 | Confident | 88.5 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | trans | -83.4 | 108.5 | -179.8 | -60.9 | -5.8 | 0 | 0 | 0 | 110.4 | F9 I22 L25 A59 H99 L103 | F9-W27 HydrophobicContact CE2-CB 3.95Å; F9-W27 HydrophobicContact CZ-CE3 4.11Å; I22-W27 HydrophobicContact CG1-CE3 4.4Å; I22-W27 HydrophobicContact CG2-CB 3.9Å; I22-W27 HydrophobicContact CG2-CE3 4.15Å; I22-W27 PolarHBondContact O-N 2.79Å; L25-W27 HydrophobicContact CB-CD2 4.21Å; L25-W27 HydrophobicContact CB-CG 4.28Å; L25-W27 HydrophobicContact CB-CZ2 4.42Å; L25-W27 HydrophobicContact CD1-CD2 4.49Å; L25-W27 HydrophobicContact CD1-CH2 3.82Å; L25-W27 HydrophobicContact CD1-CZ2 3.75Å; L25-W27 HydrophobicContact CD1-CZ3 4.25Å; W27-A59 HydrophobicContact CH2-CB 3.63Å; W27-A59 HydrophobicContact CZ3-CB 3.52Å; W27-H99 AromaticContact CH2-CE1 3.63Å; W27-H99 AromaticContact CH2-NE2 3.6Å; W27-H99 AromaticContact CZ2-CE1 3.82Å; W27-L103 HydrophobicContact CH2-CD2 4.17Å; W27-L103 HydrophobicContact CZ3-CD2 3.98Å | ||
| 28 | K | 80.8 | Confident | 88.5 | Confident | 192 Ų | 192 | 54.6 Ų | 54.6 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | trans | -79 | -35.7 | -177.5 | -64.1 | -173.2 | 178.3 | -175.5 | 0 | 113.7 | G26 | G26-K28 PolarHBondContact O-N 2.82Š| ||
| 29 | K | 85.1 | Confident | 88.5 | Confident | 123 Ų | 123 | 57.3 Ų | 57.3 | 54% | 0.535 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -142 | 146.4 | -177.4 | -69.1 | -167.3 | 172.3 | -166.4 | 0 | 110.3 | S6 F9 | S6-K29 PolarHBondContact OG-NZ 2.84Å; F9-K29 VanDerWaalsContact CE2-C 3.4Å |
| 30 | P | 87.8 | Confident | 88.6 | Confident | 17 Ų | 17 | 57.8 Ų | 57.8 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -64.5 | 146.1 | 173.5 | 27.5 | -33.3 | 0 | 0 | 0 | 110.4 | S7 F9 Q34 E35 | S7-P30 WeakPolarHBondContact O-CD 3.22Å; S7-P30 VanDerWaalsContact O-CG 3.28Å; S7-P30 WeakPolarHBondContact O-CG 2.98Å; F9-P30 HydrophobicContact CD1-CB 4.34Å; F9-P30 HydrophobicContact CE1-CB 3.89Å; F9-P30 HydrophobicContact CE2-CB 4.16Å; F9-P30 VanDerWaalsContact CE2-N 3.33Å; F9-P30 VanDerWaalsContact CZ-CA 3.48Å; F9-P30 HydrophobicContact CZ-CB 3.8Å; P30-Q34 HydrophobicContact CB-CB 3.88Å; P30-E35 HydrophobicContact CB-CB 4.36Å; P30-E35 HydrophobicContact CG-CB 4.27Å | ||
| 31 | T | 84.8 | Confident | 88.6 | Confident | 49 Ų | 49 | 52.5 Ų | 52.5 | 30% | 0.301 | 28% | 0.276 | S | S | . | . | trans | -70.7 | 160.8 | 168.1 | 64.2 | 0 | 0 | 0 | 0 | 110.1 | I33 Q34 E35 S55 | T31-I33 PolarHBondContact O-N 3.43Å; T31-I33 VanDerWaalsContact O-N 3.12Å; T31-I33 WeakPolarHBondContact OG1-CG2 3.25Å; T31-Q34 CarbonylContact O-C 3.53Å; T31-Q34 WeakPolarHBondContact O-CA 2.97Å; T31-Q34 WeakPolarHBondContact O-CB 3.43Å; T31-Q34 PolarHBondContact O-N 2.89Å; T31-Q34 VanDerWaalsContact OG1-CG 3.25Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.24Å; T31-Q34 PolarHBondContact OG1-OE1 2.87Å; T31-E35 PolarHBondContact O-N 2.87Å; T31-S55 WeakPolarHBondContact CB-O 3.31Å; T31-S55 WeakPolarHBondContact CG2-O 3.34Å; T31-S55 PolarHBondContact OG1-O 3.25Å | ||
| 32 | L | 84.2 | Confident | 88.6 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 40% | 0.398 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.5 | -37.3 | -178.7 | -174.8 | 67.1 | 0 | 0 | 0 | 112.7 | K36 L218 E220 | L32-K36 WeakPolarHBondContact O-CG 3.49Å; L32-K36 PolarHBondContact O-N 3.39Å; L32-K36 VanDerWaalsContact O-N 3.11Å; L32-L218 HydrophobicContact CB-CD1 4.41Å; L32-L218 HydrophobicContact CD2-CB 4.42Å; L32-L218 HydrophobicContact CD2-CD1 4.26Å; L32-L218 HydrophobicContact CD2-CD2 4Å; L32-L218 HydrophobicContact CD2-CG 4.46Å; L32-L218 HydrophobicContact CG-CD1 4.11Å; L32-L218 HydrophobicContact CG-CD2 3.96Å; L32-E220 HydrophobicContact CD2-CG 4.18Å |
| 33 | I | 86.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69 | -36.8 | 174.4 | -169.1 | 63.3 | 0 | 0 | 0 | 113.1 | T31 A37 A49 A51 S55 A60 L216 L218 | T31-I33 PolarHBondContact O-N 3.43Å; T31-I33 VanDerWaalsContact O-N 3.12Å; T31-I33 WeakPolarHBondContact OG1-CG2 3.25Å; I33-A37 HydrophobicContact CD1-CB 4.37Å; I33-A37 WeakPolarHBondContact O-CA 3.32Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.45Å; I33-A49 HydrophobicContact CD1-CB 3.8Å; I33-A49 HydrophobicContact CG1-CB 4.27Å; I33-A51 HydrophobicContact CB-CB 4.44Å; I33-A51 HydrophobicContact CD1-CB 4.49Å; I33-A51 HydrophobicContact CG1-CB 4.28Å; I33-S55 WeakPolarHBondContact CG2-O 3.36Å; I33-A60 HydrophobicContact CG1-CB 4.36Å; I33-L216 HydrophobicContact CD1-CB 4.32Å; I33-L216 HydrophobicContact CD1-CD1 4.11Å; I33-L218 HydrophobicContact CB-CD1 3.58Å; I33-L218 HydrophobicContact CD1-CD1 3.56Å; I33-L218 HydrophobicContact CD1-CG 4.26Å; I33-L218 HydrophobicContact CG1-CD1 4.14Å |
| 34 | Q | 90.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -47.2 | 175.7 | -69.5 | 164 | -0.2 | 0 | 0 | 110.4 | P30 T31 K36 A37 I38 G56 A60 | P30-Q34 HydrophobicContact CB-CB 3.88Å; T31-Q34 CarbonylContact O-C 3.53Å; T31-Q34 WeakPolarHBondContact O-CA 2.97Å; T31-Q34 WeakPolarHBondContact O-CB 3.43Å; T31-Q34 PolarHBondContact O-N 2.89Å; T31-Q34 VanDerWaalsContact OG1-CG 3.25Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.24Å; T31-Q34 PolarHBondContact OG1-OE1 2.87Å; Q34-K36 VanDerWaalsContact C-N 3.29Å; Q34-K36 PolarHBondContact O-N 3.48Å; Q34-A37 PolarHBondContact O-N 3.2Å; Q34-I38 HydrophobicContact CB-CD1 3.73Å; Q34-I38 HydrophobicContact CB-CG1 4.41Å; Q34-I38 HydrophobicContact CG-CD1 4.32Å; Q34-I38 WeakPolarHBondContact O-CB 3.4Å; Q34-I38 WeakPolarHBondContact O-CD1 3.39Å; Q34-I38 WeakPolarHBondContact O-CG1 3.48Å; Q34-I38 PolarHBondContact O-N 2.79Å; Q34-G56 PolarHBondContact NE2-O 3.34Å; Q34-G56 VanDerWaalsContact NE2-O 3.08Å; Q34-A60 HydrophobicContact CG-CB 4.03Å |
| 35 | E | 88.7 | Confident | 88.8 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 22% | 0.22 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.4 | -40.3 | 179.3 | -168.3 | -154.7 | 127 | 0 | 0 | 112 | P30 T31 P39 | P30-E35 HydrophobicContact CB-CB 4.36Å; P30-E35 HydrophobicContact CG-CB 4.27Å; T31-E35 PolarHBondContact O-N 2.87Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-CG 3.3Å; E35-P39 WeakPolarHBondContact O-CG 3.25Å |
| 36 | K | 90 | Very high | 89.1 | Confident | 94 Ų | 94 | 55.1 Ų | 55.1 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -86.7 | -37.7 | 179.1 | -61.4 | -51.4 | -176.6 | -146.4 | 0 | 113.8 | L32 Q34 L40 L216 L218 | L32-K36 WeakPolarHBondContact O-CG 3.49Å; L32-K36 PolarHBondContact O-N 3.39Å; L32-K36 VanDerWaalsContact O-N 3.11Å; Q34-K36 VanDerWaalsContact C-N 3.29Å; Q34-K36 PolarHBondContact O-N 3.48Å; K36-L40 VanDerWaalsContact O-CD1 3.32Å; K36-L40 WeakPolarHBondContact O-CD1 3.4Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; K36-L216 HydrophobicContact CB-CD1 4.4Å; K36-L216 HydrophobicContact CB-CD2 4.3Å; K36-L218 HydrophobicContact CG-CD2 4.29Å |
| 37 | A | 91.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -82.7 | -35.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I33 Q34 L40 S41 V47 A60 F192 L216 | I33-A37 HydrophobicContact CD1-CB 4.37Å; I33-A37 WeakPolarHBondContact O-CA 3.32Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.45Å; Q34-A37 PolarHBondContact O-N 3.2Å; A37-L40 PolarHBondContact O-N 2.82Å; A37-S41 VanDerWaalsContact O-CB 3.25Å; A37-S41 WeakPolarHBondContact O-CB 3.31Å; A37-S41 PolarHBondContact O-N 3.12Å; A37-V47 HydrophobicContact CB-CG1 4.39Å; A37-A60 HydrophobicContact CB-CB 4.22Å; A37-F192 HydrophobicContact CB-CE2 4.12Å; A37-F192 HydrophobicContact CB-CZ 3.85Å; A37-L216 HydrophobicContact CB-CD1 3.54Å |
| 38 | I | 93.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | -176.8 | -65.9 | 169.6 | 0 | 0 | 0 | 110.8 | F9 L12 L14 Q34 L40 S41 L42 I63 P64 | F9-I38 HydrophobicContact CE1-CD1 4.46Å; L12-I38 HydrophobicContact CD1-CB 4.41Å; L12-I38 HydrophobicContact CD1-CD1 4.08Å; L12-I38 HydrophobicContact CD1-CG2 4.12Å; L14-I38 HydrophobicContact CD2-CG2 4.28Å; Q34-I38 HydrophobicContact CB-CD1 3.73Å; Q34-I38 HydrophobicContact CB-CG1 4.41Å; Q34-I38 HydrophobicContact CG-CD1 4.32Å; Q34-I38 WeakPolarHBondContact O-CB 3.4Å; Q34-I38 WeakPolarHBondContact O-CD1 3.39Å; Q34-I38 WeakPolarHBondContact O-CG1 3.48Å; Q34-I38 PolarHBondContact O-N 2.79Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 2.88Å; I38-S41 PolarHBondContact O-N 2.94Å; I38-L42 HydrophobicContact CG2-CD1 3.77Å; I38-L42 HydrophobicContact CG2-CG 4.24Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 WeakPolarHBondContact O-CG 3.24Å; I38-L42 PolarHBondContact O-N 2.98Å; I38-I63 HydrophobicContact CD1-CB 4.32Å; I38-I63 HydrophobicContact CD1-CD1 3.85Å; I38-I63 HydrophobicContact CD1-CG2 4.31Å; I38-I63 HydrophobicContact CG2-CG2 4.27Å; I38-P64 HydrophobicContact CB-CG 4.35Å; I38-P64 HydrophobicContact CG1-CG 4.25Å; I38-P64 HydrophobicContact CG2-CG 4.18Å |
| 39 | P | 92.3 | Very high | 90 | Very high | 58 Ų | 58 | 40.1 Ų | 40.1 | 38% | 0.377 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.8 | -40.7 | 178.3 | -23.8 | 34.1 | 0 | 0 | 0 | 113.4 | L12 E35 S41 L42 A43 | L12-P39 HydrophobicContact CD2-CG 3.71Å; E35-P39 WeakPolarHBondContact O-CD 3.32Å; E35-P39 VanDerWaalsContact O-CG 3.3Å; E35-P39 WeakPolarHBondContact O-CG 3.25Å; P39-S41 VanDerWaalsContact C-N 3.33Å; P39-S41 PolarHBondContact O-N 3.11Å; P39-L42 PolarHBondContact O-N 3.3Å; P39-A43 WeakPolarHBondContact O-CB 3.38Å; P39-A43 PolarHBondContact O-N 3.46Å |
| 40 | L | 92.1 | Very high | 89.9 | Confident | 45 Ų | 45 | 38 Ų | 38 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.2 | -69.1 | 175.1 | 0 | 0 | 0 | 112 | K36 A37 I38 R45 V47 V214 L216 | K36-L40 VanDerWaalsContact O-CD1 3.32Å; K36-L40 WeakPolarHBondContact O-CD1 3.4Å; K36-L40 WeakPolarHBondContact O-CG 3.43Å; A37-L40 PolarHBondContact O-N 2.82Å; I38-L40 VanDerWaalsContact C-N 3.35Å; I38-L40 PolarHBondContact O-N 2.88Å; L40-R45 PolarHBondContact O-N 3.49Å; L40-V47 HydrophobicContact CB-CG2 4.1Å; L40-V214 HydrophobicContact CD1-CG1 3.9Å; L40-L216 HydrophobicContact CD1-CD1 4.13Å; L40-L216 HydrophobicContact CD1-CD2 3.69Å; L40-L216 HydrophobicContact CD1-CG 4.18Å |
| 41 | S | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.2 | -39.1 | 177.7 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | A37 I38 P39 A43 G44 P64 K68 F160 Q190 | A37-S41 VanDerWaalsContact O-CB 3.25Å; A37-S41 WeakPolarHBondContact O-CB 3.31Å; A37-S41 PolarHBondContact O-N 3.12Å; I38-S41 PolarHBondContact O-N 2.94Å; P39-S41 VanDerWaalsContact C-N 3.33Å; P39-S41 PolarHBondContact O-N 3.11Å; S41-A43 VanDerWaalsContact C-N 3.31Å; S41-G44 PolarHBondContact O-N 3.45Å; S41-G44 VanDerWaalsContact O-N 3.07Å; S41-P64 VanDerWaalsContact OG-CB 3.25Å; S41-P64 WeakPolarHBondContact OG-CB 3.39Å; S41-K68 WeakPolarHBondContact O-CE 3.46Å; S41-F160 WeakPolarHBondContact OG-CE2 3.15Å; S41-F160 VanDerWaalsContact OG-CZ 3.32Å; S41-F160 WeakPolarHBondContact OG-CZ 3.2Å; S41-Q190 PolarHBondContact O-NE2 3.5Å |
| 42 | L | 91.9 | Very high | 88.3 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 173.7 | -71.3 | 174.3 | 0 | 0 | 0 | 111.6 | L14 I38 P39 G44 P64 E67 | L14-L42 HydrophobicContact CD2-CD1 3.9Å; I38-L42 HydrophobicContact CG2-CD1 3.77Å; I38-L42 HydrophobicContact CG2-CG 4.24Å; I38-L42 WeakPolarHBondContact O-CB 3.4Å; I38-L42 WeakPolarHBondContact O-CG 3.24Å; I38-L42 PolarHBondContact O-N 2.98Å; P39-L42 PolarHBondContact O-N 3.3Å; L42-G44 PolarHBondContact O-N 2.98Å; L42-P64 HydrophobicContact CD2-CB 4.1Å; L42-P64 HydrophobicContact CG-CB 4.35Å; L42-E67 HydrophobicContact CD2-CB 3.91Å; L42-E67 HydrophobicContact CD2-CG 3.72Å |
| 43 | A | 90.9 | Very high | 87.4 | Confident | 74 Ų | 74 | 35.4 Ų | 35.4 | 61% | 0.612 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 2.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P39 S41 R45 | P39-A43 WeakPolarHBondContact O-CB 3.38Å; P39-A43 PolarHBondContact O-N 3.46Å; S41-A43 VanDerWaalsContact C-N 3.31Å; A43-R45 PolarHBondContact O-N 3.46Å |
| 44 | G | 90.3 | Very high | 86.4 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 40% | 0.402 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 14.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S41 L42 | S41-G44 PolarHBondContact O-N 3.45Å; S41-G44 VanDerWaalsContact O-N 3.07Å; L42-G44 PolarHBondContact O-N 2.98Å |
| 45 | R | 92.6 | Very high | 85.6 | Confident | 150 Ų | 150 | 37.8 Ų | 37.8 | 57% | 0.566 | 21% | 0.214 | S | C | * | . | trans | -84.7 | 147.5 | 176.7 | -61.8 | -168.3 | 179.1 | -153.2 | 0.7 | 111.7 | L40 A43 Q190 V214 | L40-R45 PolarHBondContact O-N 3.49Å; A43-R45 PolarHBondContact O-N 3.46Å; R45-Q190 PolarHBondContact O-NE2 3.34Å; R45-V214 HydrophobicContact CB-CG2 4.27Å | ||
| 46 | D | 93.2 | Very high | 85.2 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | trans | -67.8 | 135 | 167.8 | -79.6 | 13.7 | 0 | 0 | 0 | 110.3 | Q190 A191 L210 H211 P213 V214 | D46-Q190 WeakPolarHBondContact OD1-CA 3.49Å; D46-A191 CarbonylContact C-O 3.6Å; D46-A191 VanDerWaalsContact CA-O 3.24Å; D46-A191 WeakPolarHBondContact CA-O 3.48Å; D46-A191 PolarHBondContact OD1-N 2.94Å; D46-L210 HydrophobicContact CB-CB 4.39Å; D46-L210 HydrophobicContact CB-CD2 4.2Å; D46-L210 WeakPolarHBondContact OD2-CA 3.17Å; D46-H211 PolarHBondContact OD2-N 3.29Å; D46-P213 HydrophobicContact CB-CB 3.93Å; D46-P213 CarbonylContact O-C 3.55Å; D46-P213 WeakPolarHBondContact O-CA 3.36Å; D46-V214 PolarHBondContact O-N 2.89Å | ||
| 47 | V | 92.9 | Very high | 85 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.4 | -174.2 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | A37 L40 A191 F192 L193 L216 | A37-V47 HydrophobicContact CB-CG1 4.39Å; L40-V47 HydrophobicContact CB-CG2 4.1Å; V47-A191 PolarHBondContact N-O 3.26Å; V47-F192 HydrophobicContact CB-CD2 3.79Å; V47-F192 HydrophobicContact CB-CE2 3.76Å; V47-F192 HydrophobicContact CB-CG 4.24Å; V47-F192 HydrophobicContact CB-CZ 4.17Å; V47-F192 HydrophobicContact CG1-CD2 4.31Å; V47-F192 HydrophobicContact CG1-CE1 4.24Å; V47-F192 HydrophobicContact CG1-CE2 3.81Å; V47-F192 HydrophobicContact CG1-CZ 3.77Å; V47-F192 HydrophobicContact CG2-CD2 4.33Å; V47-F192 HydrophobicContact CG2-CE2 4.22Å; V47-F192 CarbonylContact O-C 3.54Å; V47-F192 WeakPolarHBondContact O-CA 3.36Å; V47-L193 PolarHBondContact O-N 3.02Å; V47-L216 HydrophobicContact CG1-CD1 3.74Å; V47-L216 HydrophobicContact CG1-CG 4.23Å |
| 48 | V | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.024 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.6 | 163.9 | 178 | 0 | 0 | 0 | 0 | 108.4 | L193 K206 L210 P213 V214 V215 L216 | V48-L193 CarbonylContact C-O 3.26Å; V48-L193 WeakPolarHBondContact CA-O 3.29Å; V48-L193 HydrophobicContact CG1-CD2 3.97Å; V48-L193 HydrophobicContact CG2-CB 4.36Å; V48-K206 HydrophobicContact CG2-CD 4.13Å; V48-K206 HydrophobicContact CG2-CG 4Å; V48-L210 HydrophobicContact CG2-CD1 4.43Å; V48-L210 HydrophobicContact CG2-CD2 3.71Å; V48-P213 HydrophobicContact CG2-CB 3.99Å; V48-P213 HydrophobicContact CG2-CG 4.42Å; V48-V214 PolarHBondContact N-O 3.32Å; V48-V215 HydrophobicContact CB-CG1 4.33Å; V48-V215 HydrophobicContact CB-CG2 4.41Å; V48-V215 HydrophobicContact CG1-CG1 4.32Å; V48-L216 PolarHBondContact O-N 2.95Å |
| 49 | A | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | I33 F192 L193 T194 S195 | I33-A49 HydrophobicContact CD1-CB 3.8Å; I33-A49 HydrophobicContact CG1-CB 4.27Å; A49-F192 HydrophobicContact CB-CE1 3.6Å; A49-F192 HydrophobicContact CB-CZ 4.03Å; A49-L193 PolarHBondContact N-O 3.02Å; A49-T194 WeakPolarHBondContact O-CA 3.44Å; A49-S195 PolarHBondContact O-N 3.01Å; A49-S195 VanDerWaalsContact O-N 3.09Å |
| 50 | R | 82.2 | Confident | 84.7 | Confident | 79 Ų | 79 | 31.7 Ų | 31.7 | 30% | 0.298 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 109.9 | 166.8 | -177.2 | 178.6 | -179.1 | -167.4 | 7.5 | 109.6 | S195 L198 L216 | R50-S195 WeakPolarHBondContact CA-O 3.49Å; R50-L198 HydrophobicContact CB-CD1 4.45Å; R50-L216 PolarHBondContact N-O 3.32Å; R50-L216 VanDerWaalsContact N-O 3.16Å |
| 51 | A | 73.2 | Confident | 84.8 | Confident | 6 Ų | 6 | 29.6 Ų | 29.6 | 5% | 0.05 | 18% | 0.179 | C | C | . | . | trans | -151.4 | 157.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I33 S55 K57 S195 | I33-A51 HydrophobicContact CB-CB 4.44Å; I33-A51 HydrophobicContact CD1-CB 4.49Å; I33-A51 HydrophobicContact CG1-CB 4.28Å; A51-S55 WeakPolarHBondContact CB-OG 3.46Å; A51-K57 HydrophobicContact CB-CD 4.1Å; A51-K57 HydrophobicContact CB-CG 4.14Å; A51-S195 PolarHBondContact N-O 3.33Å | ||
| 52 | K | 65.8 | Low | 84.9 | Confident | 52 Ų | 52 | 29.6 Ų | 29.6 | 23% | 0.226 | 18% | 0.179 | C | C | . | . | trans | -61.5 | 163.5 | 178.8 | 62.8 | -179.5 | 174.5 | -178.2 | 0 | 112.7 | G54 S55 | K52-G54 PolarHBondContact O-N 3.47Å; K52-S55 PolarHBondContact O-N 2.97Å; K52-S55 PolarHBondContact O-OG 3.28Å | ||
| 53 | T | 65.9 | Low | 85.1 | Confident | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.178 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 133.3 | 169.2 | 50.5 | 0 | 0 | 0 | 0 | 110 | G394 | T53-G394 PolarHBondContact OG1-O 3.15Š|
| 54 | G | 65.7 | Low | 85.3 | Confident | 52 Ų | 52 | 23.7 Ų | 23.7 | 54% | 0.536 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K52 G56 | K52-G54 PolarHBondContact O-N 3.47Å; G54-G56 PolarHBondContact O-N 2.78Å |
| 55 | S | 73.2 | Confident | 85.5 | Confident | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -72.5 | -2.5 | 172.3 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | T31 I33 A51 K52 K57 | T31-S55 WeakPolarHBondContact CB-O 3.31Å; T31-S55 WeakPolarHBondContact CG2-O 3.34Å; T31-S55 PolarHBondContact OG1-O 3.25Å; I33-S55 WeakPolarHBondContact CG2-O 3.36Å; A51-S55 WeakPolarHBondContact CB-OG 3.46Å; K52-S55 PolarHBondContact O-N 2.97Å; K52-S55 PolarHBondContact O-OG 3.28Å; S55-K57 WeakPolarHBondContact OG-CG 3.25Å |
| 56 | G | 80.3 | Confident | 85.6 | Confident | 21 Ų | 21 | 14.8 Ų | 14.8 | 22% | 0.216 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 87.9 | 22.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q34 G54 T58 A59 A60 | Q34-G56 PolarHBondContact NE2-O 3.34Å; Q34-G56 VanDerWaalsContact NE2-O 3.08Å; G54-G56 PolarHBondContact O-N 2.78Å; G56-T58 VanDerWaalsContact C-N 3.28Å; G56-T58 PolarHBondContact O-N 2.63Å; G56-A59 PolarHBondContact O-N 3.35Å; G56-A60 PolarHBondContact O-N 3.43Å |
| 57 | K | 85.5 | Confident | 85.7 | Confident | 10 Ų | 10 | 14.9 Ų | 14.9 | 4% | 0.043 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -52.4 | -42.4 | 179.4 | -53.6 | -165.2 | -58 | -103.9 | 0 | 113.5 | A51 S55 A59 A60 F61 E165 T194 | A51-K57 HydrophobicContact CB-CD 4.1Å; A51-K57 HydrophobicContact CB-CG 4.14Å; S55-K57 WeakPolarHBondContact OG-CG 3.25Å; K57-A59 PolarHBondContact O-N 3.49Å; K57-A60 VanDerWaalsContact O-CB 3.28Å; K57-A60 WeakPolarHBondContact O-CB 3.48Å; K57-A60 PolarHBondContact O-N 2.9Å; K57-F61 WeakPolarHBondContact O-CD1 3.16Å; K57-F61 PolarHBondContact O-N 2.94Å; K57-E165 WeakPolarHBondContact CE-OE1 3.41Å; K57-E165 IonicContact NZ-OE1 3.41Å; K57-E165 PolarHBondContact NZ-OE1 3.46Å; K57-E165 IonicContact NZ-OE2 2.69Å; K57-T194 HydrophobicContact CB-CG2 4.29Å |
| 58 | T | 89.2 | Confident | 85.6 | Confident | 39 Ų | 39 | 17 Ų | 17 | 24% | 0.239 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | -177.7 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | G56 A60 F61 A62 L96 H99 | G56-T58 VanDerWaalsContact C-N 3.28Å; G56-T58 PolarHBondContact O-N 2.63Å; T58-A60 VanDerWaalsContact C-N 3.27Å; T58-A60 PolarHBondContact O-N 3.07Å; T58-F61 HydrophobicContact CG2-CE2 4.48Å; T58-F61 HydrophobicContact CG2-CZ 4.02Å; T58-F61 PolarHBondContact O-N 3.01Å; T58-A62 WeakPolarHBondContact O-CB 3.49Å; T58-A62 PolarHBondContact O-N 3.48Å; T58-L96 HydrophobicContact CG2-CD2 3.4Å; T58-L96 VanDerWaalsContact CG2-CD2 3.4Å; T58-H99 HydrophobicContact CG2-CB 4.11Å; T58-H99 WeakPolarHBondContact CG2-CD2 3.3Å |
| 59 | A | 91.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.7 | -28.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W27 G56 K57 F61 A62 I63 L103 | W27-A59 HydrophobicContact CH2-CB 3.63Å; W27-A59 HydrophobicContact CZ3-CB 3.52Å; G56-A59 PolarHBondContact O-N 3.35Å; K57-A59 PolarHBondContact O-N 3.49Å; A59-F61 VanDerWaalsContact C-N 3.28Å; A59-F61 PolarHBondContact O-N 2.84Å; A59-A62 PolarHBondContact O-N 2.91Å; A59-I63 HydrophobicContact CB-CD1 4.07Å; A59-I63 HydrophobicContact CB-CG1 4.5Å; A59-I63 WeakPolarHBondContact O-CB 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.38Å; A59-I63 PolarHBondContact O-N 3.29Å; A59-L103 HydrophobicContact CB-CD1 4.43Å |
| 60 | A | 92 | Very high | 86 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.2 | -30.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I33 Q34 A37 G56 K57 T58 P64 F192 | I33-A60 HydrophobicContact CG1-CB 4.36Å; Q34-A60 HydrophobicContact CG-CB 4.03Å; A37-A60 HydrophobicContact CB-CB 4.22Å; G56-A60 PolarHBondContact O-N 3.43Å; K57-A60 VanDerWaalsContact O-CB 3.28Å; K57-A60 WeakPolarHBondContact O-CB 3.48Å; K57-A60 PolarHBondContact O-N 2.9Å; T58-A60 VanDerWaalsContact C-N 3.27Å; T58-A60 PolarHBondContact O-N 3.07Å; A60-P64 WeakPolarHBondContact O-CD 3.19Å; A60-P64 WeakPolarHBondContact O-CG 3.35Å; A60-F192 HydrophobicContact CB-CZ 4.43Å |
| 61 | F | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -99.7 | -31.1 | 170.6 | 65.5 | -107.2 | 0 | 0 | 0 | 113.3 | K57 T58 A59 P64 L65 V85 L96 V162 D164 F192 T194 | K57-F61 WeakPolarHBondContact O-CD1 3.16Å; K57-F61 PolarHBondContact O-N 2.94Å; T58-F61 HydrophobicContact CG2-CE2 4.48Å; T58-F61 HydrophobicContact CG2-CZ 4.02Å; T58-F61 PolarHBondContact O-N 3.01Å; A59-F61 VanDerWaalsContact C-N 3.28Å; A59-F61 PolarHBondContact O-N 2.84Å; F61-P64 WeakPolarHBondContact O-CD 3.5Å; F61-L65 VanDerWaalsContact O-CB 3.25Å; F61-L65 WeakPolarHBondContact O-CB 3.25Å; F61-L65 PolarHBondContact O-N 2.88Å; F61-L65 VanDerWaalsContact O-N 3.11Å; F61-V85 HydrophobicContact CE2-CG1 4.3Å; F61-L96 HydrophobicContact CE2-CD2 4.47Å; F61-L96 HydrophobicContact CZ-CD2 3.73Å; F61-V162 HydrophobicContact CB-CG1 4.38Å; F61-V162 HydrophobicContact CB-CG2 4.22Å; F61-V162 HydrophobicContact CD1-CG1 3.95Å; F61-V162 HydrophobicContact CD2-CB 4.29Å; F61-V162 HydrophobicContact CD2-CG1 3.66Å; F61-V162 HydrophobicContact CD2-CG2 3.78Å; F61-V162 HydrophobicContact CE1-CG1 4.02Å; F61-V162 HydrophobicContact CE2-CG1 3.78Å; F61-V162 HydrophobicContact CE2-CG2 4.43Å; F61-V162 HydrophobicContact CG-CG1 3.75Å; F61-V162 HydrophobicContact CG-CG2 4.17Å; F61-V162 HydrophobicContact CZ-CG1 3.94Å; F61-D164 HydrophobicContact CE1-CB 4.4Å; F61-D164 HydrophobicContact CZ-CB 4.4Å; F61-F192 HydrophobicContact CB-CB 4.25Å; F61-F192 HydrophobicContact CB-CD1 3.72Å; F61-F192 HydrophobicContact CB-CD2 3.81Å; F61-F192 HydrophobicContact CB-CE1 3.94Å; F61-F192 HydrophobicContact CB-CE2 4.01Å; F61-F192 HydrophobicContact CB-CG 3.66Å; F61-F192 HydrophobicContact CB-CZ 4.08Å; F61-F192 HydrophobicContact CD1-CD1 4.44Å; F61-F192 HydrophobicContact CD1-CE1 4.47Å; F61-T194 HydrophobicContact CD1-CG2 3.64Å; F61-T194 HydrophobicContact CE1-CG2 3.86Å |
| 62 | A | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.2 | -37.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T58 A59 L65 I66 I100 L103 | T58-A62 WeakPolarHBondContact O-CB 3.49Å; T58-A62 PolarHBondContact O-N 3.48Å; A59-A62 PolarHBondContact O-N 2.91Å; A62-L65 PolarHBondContact O-N 3.2Å; A62-I66 WeakPolarHBondContact O-CB 3.39Å; A62-I66 WeakPolarHBondContact O-CD1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.97Å; A62-I100 HydrophobicContact CB-CG1 3.95Å; A62-L103 HydrophobicContact CB-CD1 3.81Å |
| 63 | I | 95.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -54.9 | 178.1 | -70 | 166.5 | 0 | 0 | 0 | 110.9 | F9 L14 V18 I22 I38 A59 L65 I66 E67 L103 | F9-I63 HydrophobicContact CE1-CD1 4.01Å; L14-I63 HydrophobicContact CD1-CG2 3.72Å; L14-I63 HydrophobicContact CD2-CG2 3.64Å; L14-I63 HydrophobicContact CG-CG2 4.32Å; V18-I63 HydrophobicContact CG1-CG1 4.42Å; V18-I63 HydrophobicContact CG1-CG2 4.27Å; I22-I63 HydrophobicContact CD1-CD1 3.83Å; I22-I63 HydrophobicContact CD1-CG1 4.42Å; I22-I63 HydrophobicContact CG1-CD1 4.49Å; I38-I63 HydrophobicContact CD1-CB 4.32Å; I38-I63 HydrophobicContact CD1-CD1 3.85Å; I38-I63 HydrophobicContact CD1-CG2 4.31Å; I38-I63 HydrophobicContact CG2-CG2 4.27Å; A59-I63 HydrophobicContact CB-CD1 4.07Å; A59-I63 HydrophobicContact CB-CG1 4.5Å; A59-I63 WeakPolarHBondContact O-CB 3.23Å; A59-I63 WeakPolarHBondContact O-CG1 3.38Å; A59-I63 PolarHBondContact O-N 3.29Å; I63-L65 VanDerWaalsContact C-N 3.27Å; I63-L65 PolarHBondContact O-N 3.22Å; I63-I66 PolarHBondContact O-N 3.35Å; I63-E67 WeakPolarHBondContact O-CB 3.18Å; I63-E67 PolarHBondContact O-N 3.08Å; I63-L103 HydrophobicContact CG1-CD1 4.24Å |
| 64 | P | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.5 | -36.5 | 175.4 | -24.4 | 31.6 | 0 | 0 | 0 | 113.9 | I38 S41 L42 A60 F61 K68 | I38-P64 HydrophobicContact CB-CG 4.35Å; I38-P64 HydrophobicContact CG1-CG 4.25Å; I38-P64 HydrophobicContact CG2-CG 4.18Å; S41-P64 VanDerWaalsContact OG-CB 3.25Å; S41-P64 WeakPolarHBondContact OG-CB 3.39Å; L42-P64 HydrophobicContact CD2-CB 4.1Å; L42-P64 HydrophobicContact CG-CB 4.35Å; A60-P64 WeakPolarHBondContact O-CD 3.19Å; A60-P64 WeakPolarHBondContact O-CG 3.35Å; F61-P64 WeakPolarHBondContact O-CD 3.5Å; P64-K68 WeakPolarHBondContact O-CB 3.33Å; P64-K68 VanDerWaalsContact O-CG 3.31Å; P64-K68 WeakPolarHBondContact O-CG 3.34Å; P64-K68 PolarHBondContact O-N 3.46Å |
| 65 | L | 95.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -49.8 | 177.8 | 174.1 | 62.1 | 0 | 0 | 0 | 111.5 | F61 A62 I63 K68 V69 V85 I135 F160 | F61-L65 VanDerWaalsContact O-CB 3.25Å; F61-L65 WeakPolarHBondContact O-CB 3.25Å; F61-L65 PolarHBondContact O-N 2.88Å; F61-L65 VanDerWaalsContact O-N 3.11Å; A62-L65 PolarHBondContact O-N 3.2Å; I63-L65 VanDerWaalsContact C-N 3.27Å; I63-L65 PolarHBondContact O-N 3.22Å; L65-K68 PolarHBondContact O-N 3.5Å; L65-V69 WeakPolarHBondContact O-CG2 3.08Å; L65-V69 PolarHBondContact O-N 3.35Å; L65-V69 VanDerWaalsContact O-N 3.15Å; L65-V85 HydrophobicContact CD2-CG2 3.8Å; L65-I135 HydrophobicContact CD1-CG1 4.44Å; L65-I135 HydrophobicContact CD2-CD1 3.9Å; L65-I135 HydrophobicContact CD2-CG1 4.25Å; L65-I135 HydrophobicContact CD2-CG2 3.96Å; L65-I135 HydrophobicContact CG-CD1 3.84Å; L65-I135 HydrophobicContact CG-CG1 4.25Å; L65-F160 HydrophobicContact CB-CD1 4.34Å; L65-F160 HydrophobicContact CB-CE1 4.35Å; L65-F160 HydrophobicContact CD1-CB 3.77Å; L65-F160 HydrophobicContact CD1-CD1 3.78Å; L65-F160 HydrophobicContact CD1-CG 3.89Å |
| 66 | I | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63 | -45.1 | 178.8 | -68.6 | 165.5 | 0 | 0 | 0 | 110.4 | V18 A62 I63 K68 V69 I70 I100 L103 A104 V111 I135 | V18-I66 HydrophobicContact CG2-CG2 3.84Å; A62-I66 WeakPolarHBondContact O-CB 3.39Å; A62-I66 WeakPolarHBondContact O-CD1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 2.97Å; I63-I66 PolarHBondContact O-N 3.35Å; I66-K68 PolarHBondContact O-N 3.24Å; I66-V69 PolarHBondContact O-N 3.08Å; I66-I70 HydrophobicContact CG2-CD1 3.91Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.81Å; I66-I100 HydrophobicContact CD1-CG2 4.18Å; I66-I100 HydrophobicContact CG1-CG2 4.25Å; I66-L103 HydrophobicContact CD1-CB 3.5Å; I66-L103 VanDerWaalsContact CD1-CB 3.5Å; I66-L103 HydrophobicContact CD1-CD1 4.45Å; I66-A104 HydrophobicContact CD1-CB 4.16Å; I66-A104 HydrophobicContact CG2-CB 4.49Å; I66-V111 HydrophobicContact CG2-CG2 4.23Å; I66-I135 HydrophobicContact CG1-CD1 4.41Å |
| 67 | E | 93.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 179.8 | -172.7 | 62.1 | -148.6 | 0 | 0 | 111.7 | D15 L42 I63 V69 I70 Q71 | D15-E67 VanDerWaalsContact CB-OE2 3.29Å; D15-E67 WeakPolarHBondContact CB-OE2 3.37Å; D15-E67 PolarHBondContact N-OE2 3.49Å; L42-E67 HydrophobicContact CD2-CB 3.91Å; L42-E67 HydrophobicContact CD2-CG 3.72Å; I63-E67 WeakPolarHBondContact O-CB 3.18Å; I63-E67 PolarHBondContact O-N 3.08Å; E67-V69 PolarHBondContact O-N 3.46Å; E67-I70 WeakPolarHBondContact O-CB 3.25Å; E67-I70 PolarHBondContact O-N 2.85Å; E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.22Å; E67-Q71 PolarHBondContact O-N 2.78Å; E67-Q71 PolarHBondContact OE1-NE2 2.91Å |
| 68 | K | 92.2 | Very high | 90.4 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 177.3 | -77.5 | -178.5 | 171.5 | -126.9 | 0 | 112.9 | S41 P64 L65 I66 I70 Q71 A72 F160 | S41-K68 WeakPolarHBondContact O-CE 3.46Å; P64-K68 WeakPolarHBondContact O-CB 3.33Å; P64-K68 VanDerWaalsContact O-CG 3.31Å; P64-K68 WeakPolarHBondContact O-CG 3.34Å; P64-K68 PolarHBondContact O-N 3.46Å; L65-K68 PolarHBondContact O-N 3.5Å; I66-K68 PolarHBondContact O-N 3.24Å; K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 2.72Å; K68-Q71 PolarHBondContact O-N 3.35Å; K68-A72 VanDerWaalsContact O-CB 3.24Å; K68-A72 WeakPolarHBondContact O-CB 3.28Å; K68-A72 PolarHBondContact O-N 2.87Å; K68-F160 HydrophobicContact CD-CD2 3.75Å; K68-F160 HydrophobicContact CD-CE2 4.03Å |
| 69 | V | 92.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | L65 I66 E67 A72 K73 R82 V111 D134 I135 | L65-V69 WeakPolarHBondContact O-CG2 3.08Å; L65-V69 PolarHBondContact O-N 3.35Å; L65-V69 VanDerWaalsContact O-N 3.15Å; I66-V69 PolarHBondContact O-N 3.08Å; E67-V69 PolarHBondContact O-N 3.46Å; V69-A72 PolarHBondContact O-N 3.4Å; V69-K73 HydrophobicContact CG1-CD 4.47Å; V69-K73 WeakPolarHBondContact O-CB 3.35Å; V69-K73 PolarHBondContact O-N 3.16Å; V69-R82 HydrophobicContact CG2-CB 4.3Å; V69-V111 HydrophobicContact CB-CG2 4.36Å; V69-V111 HydrophobicContact CG1-CB 4.5Å; V69-V111 HydrophobicContact CG1-CG1 4.35Å; V69-V111 HydrophobicContact CG1-CG2 3.91Å; V69-D134 HydrophobicContact CG1-CB 3.62Å; V69-D134 HydrophobicContact CG2-CB 4.38Å; V69-I135 HydrophobicContact CG2-CD1 4.4Å; V69-I135 HydrophobicContact CG2-CG1 4.19Å |
| 70 | I | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.4 | -51.1 | 176.9 | -71.4 | 169.1 | 0 | 0 | 0 | 110.7 | D15 V18 I66 E67 K68 A72 K73 Q74 A107 V111 | D15-I70 HydrophobicContact CB-CD1 4.3Å; D15-I70 WeakPolarHBondContact OD2-CG2 3.44Å; V18-I70 HydrophobicContact CG2-CD1 4.16Å; I66-I70 HydrophobicContact CG2-CD1 3.91Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.81Å; E67-I70 WeakPolarHBondContact O-CB 3.25Å; E67-I70 PolarHBondContact O-N 2.85Å; K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 2.72Å; I70-A72 PolarHBondContact O-N 3.4Å; I70-K73 PolarHBondContact O-N 2.8Å; I70-Q74 WeakPolarHBondContact O-CG 3.47Å; I70-Q74 PolarHBondContact O-N 2.67Å; I70-A107 HydrophobicContact CD1-CB 3.92Å; I70-V111 HydrophobicContact CD1-CG2 4.25Å; I70-V111 HydrophobicContact CG1-CG2 3.63Å |
| 71 | Q | 90.9 | Very high | 90.2 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -42.9 | -179.2 | -70.4 | 174.5 | 4.9 | 0 | 0 | 111.7 | E67 K68 K73 Q74 A75 | E67-Q71 VanDerWaalsContact O-CG 3.31Å; E67-Q71 WeakPolarHBondContact O-CG 3.22Å; E67-Q71 PolarHBondContact O-N 2.78Å; E67-Q71 PolarHBondContact OE1-NE2 2.91Å; K68-Q71 PolarHBondContact O-N 3.35Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 2.79Å; Q71-Q74 PolarHBondContact O-N 2.94Å; Q71-A75 PolarHBondContact O-N 3.48Å |
| 72 | A | 88.9 | Confident | 90.2 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.8 | -39 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | K68 V69 I70 A75 H76 | K68-A72 VanDerWaalsContact O-CB 3.24Å; K68-A72 WeakPolarHBondContact O-CB 3.28Å; K68-A72 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3.4Å; I70-A72 PolarHBondContact O-N 3.4Å; A72-A75 PolarHBondContact O-N 2.82Å; A72-H76 WeakPolarHBondContact O-CA 3.47Å; A72-H76 PolarHBondContact O-N 3.33Å; A72-H76 VanDerWaalsContact O-O 3.09Å |
| 73 | K | 88.4 | Confident | 90.2 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 13% | 0.13 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -33.4 | 176 | -84 | -176.1 | 160.4 | 176.7 | 0 | 114.1 | V69 I70 Q71 H76 D110 D134 | V69-K73 HydrophobicContact CG1-CD 4.47Å; V69-K73 WeakPolarHBondContact O-CB 3.35Å; V69-K73 PolarHBondContact O-N 3.16Å; I70-K73 PolarHBondContact O-N 2.8Å; Q71-K73 VanDerWaalsContact C-N 3.33Å; Q71-K73 PolarHBondContact O-N 2.79Å; K73-H76 WeakPolarHBondContact CA-O 2.9Å; K73-H76 CarbonylContact O-C 3.54Å; K73-D110 HydrophobicContact CD-CB 4.38Å; K73-D110 WeakPolarHBondContact CD-O 3.34Å; K73-D110 VanDerWaalsContact CE-O 3.32Å; K73-D110 WeakPolarHBondContact CE-O 3.37Å; K73-D110 PolarHBondContact NZ-O 3.1Å; K73-D134 WeakPolarHBondContact CE-OD1 3.1Å; K73-D134 IonicContact NZ-OD1 3.69Å; K73-D134 PolarHBondContact NZ-OD1 3.28Å; K73-D134 IonicContact NZ-OD2 3.51Å; K73-D134 PolarHBondContact NZ-OD2 2.97Å |
| 74 | Q | 87.3 | Confident | 90.2 | Very high | 127 Ų | 127 | 46.1 Ų | 46.1 | 59% | 0.593 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.5 | -40.4 | 173.1 | -73.1 | 173.7 | -3.7 | 0 | 0 | 111.3 | I70 Q71 | I70-Q74 WeakPolarHBondContact O-CG 3.47Å; I70-Q74 PolarHBondContact O-N 2.67Å; Q71-Q74 PolarHBondContact O-N 2.94Å |
| 75 | A | 86.3 | Confident | 90.3 | Very high | 75 Ų | 75 | 46.1 Ų | 46.1 | 62% | 0.62 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -75.4 | -43.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q71 A72 | Q71-A75 PolarHBondContact O-N 3.48Å; A72-A75 PolarHBondContact O-N 2.82Å |
| 76 | H | 80.5 | Confident | 90.2 | Very high | 126 Ų | 126 | 46.1 Ų | 46.1 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | trans | -131.9 | 110.8 | -177.4 | -59.7 | -65 | 0 | 0 | 0 | 109.4 | A72 K73 T78 | A72-H76 WeakPolarHBondContact O-CA 3.47Å; A72-H76 PolarHBondContact O-N 3.33Å; A72-H76 VanDerWaalsContact O-O 3.09Å; K73-H76 WeakPolarHBondContact CA-O 2.9Å; K73-H76 CarbonylContact O-C 3.54Å; H76-T78 PolarHBondContact O-N 3.46Å | ||
| 77 | R | 78.3 | Confident | 89.8 | Confident | 252 Ų | 252 | 46.1 Ų | 46.1 | 95% | 0.951 | 23% | 0.226 | S | C | * | . | trans | -69.9 | 26.3 | 178.7 | -70.9 | -172.5 | 175.5 | 178.2 | -0.7 | 114.3 | ||||
| 78 | T | 83.8 | Confident | 89 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | trans | -85.9 | 134.9 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | H76 R82 | H76-T78 PolarHBondContact O-N 3.46Å; T78-R82 PolarHBondContact O-NH1 3.04Å; T78-R82 VanDerWaalsContact O-NH1 3.1Å; T78-R82 PolarHBondContact O-NH2 3.01Å; T78-R82 PolarHBondContact OG1-NH2 3.37Å | ||
| 79 | Q | 87.7 | Confident | 88 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | trans | -89.6 | 121.6 | 171.2 | -179.6 | 69.6 | -29.4 | 0 | 0 | 108.5 | Q132 D134 | Q79-Q132 HydrophobicContact CG-CB 3.98Å; Q79-Q132 WeakPolarHBondContact CG-O 3.31Å; Q79-Q132 PolarHBondContact NE2-O 2.98Å; Q79-Q132 PolarHBondContact O-OE1 3.19Å; Q79-D134 PolarHBondContact OE1-OD1 3Å | ||
| 80 | C | 89.6 | Confident | 87.2 | Confident | 19 Ų | 19 | 47 Ų | 47 | 13% | 0.128 | 23% | 0.232 | C | C | . | . | trans | -162.2 | 161.9 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 110.4 | R82 T157 | C80-R82 PolarHBondContact O-N 3.39Å; C80-T157 HydrophobicContact CB-CG2 3.83Å | ||
| 81 | I | 92.4 | Very high | 86 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 6% | 0.056 | 24% | 0.24 | C | C | . | . | trans | -76.5 | 109.8 | 176.5 | -58.4 | 154.6 | 0 | 0 | 0 | 108.7 | P133 I136 V152 L154 T157 | I81-P133 VanDerWaalsContact CA-O 3.31Å; I81-P133 WeakPolarHBondContact CA-O 3.46Å; I81-P133 WeakPolarHBondContact CG1-O 3.36Å; I81-I136 HydrophobicContact CD1-CD1 3.61Å; I81-I136 HydrophobicContact CG1-CD1 3.94Å; I81-I136 HydrophobicContact CG1-CG1 4.48Å; I81-I136 HydrophobicContact CG2-CD1 3.86Å; I81-I136 HydrophobicContact CG2-CG1 4.03Å; I81-V152 HydrophobicContact CD1-CG1 3.76Å; I81-L154 HydrophobicContact CB-CD2 4.12Å; I81-L154 HydrophobicContact CD1-CD2 4.25Å; I81-L154 HydrophobicContact CG2-CD2 3.67Å; I81-T157 CarbonylContact O-C 3.55Å; I81-T157 WeakPolarHBondContact O-CB 3.36Å; I81-T157 PolarHBondContact O-OG1 3.08Å | ||
| 82 | R | 93.1 | Very high | 85.4 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 2% | 0.023 | 22% | 0.224 | C | C | . | . | trans | -104 | -25.2 | -179.8 | -66.4 | -179.9 | 177 | 90.3 | -3.6 | 112.9 | V69 T78 C80 D134 E159 F160 | V69-R82 HydrophobicContact CG2-CB 4.3Å; T78-R82 PolarHBondContact O-NH1 3.04Å; T78-R82 VanDerWaalsContact O-NH1 3.1Å; T78-R82 PolarHBondContact O-NH2 3.01Å; T78-R82 PolarHBondContact OG1-NH2 3.37Å; C80-R82 PolarHBondContact O-N 3.39Å; R82-D134 PolarHBondContact N-O 2.92Å; R82-D134 IonicContact NH1-OD1 3.34Å; R82-E159 IonicContact NE-OE1 2.95Å; R82-E159 PolarHBondContact O-N 3.03Å; R82-F160 PolarHBondContact O-N 3.42Å | ||
| 83 | G | 94.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D134 I135 I136 F160 | G83-D134 PolarHBondContact N-O 2.91Å; G83-I135 WeakPolarHBondContact O-CA 3.23Å; G83-I136 PolarHBondContact O-N 3.42Å; G83-F160 CarbonylContact C-O 3.58Å; G83-F160 WeakPolarHBondContact CA-O 3.43Å |
| 84 | L | 95.8 | Very high | 85 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.5 | 171.6 | 174.8 | 61.8 | 0 | 0 | 0 | 110.3 | I86 I136 L143 L154 L158 F160 L161 V162 L185 | L84-I86 HydrophobicContact CD1-CG1 4.41Å; L84-I86 HydrophobicContact CD2-CD1 4.22Å; L84-I86 HydrophobicContact CD2-CG1 4.29Å; L84-I86 HydrophobicContact CG-CG1 4.07Å; L84-I136 CarbonylContact C-O 3.6Å; L84-I136 WeakPolarHBondContact CA-O 3.32Å; L84-I136 HydrophobicContact CD1-CB 4.12Å; L84-I136 HydrophobicContact CD1-CG2 3.92Å; L84-L143 HydrophobicContact CD1-CD1 4.1Å; L84-L143 HydrophobicContact CD1-CD2 3.76Å; L84-L143 HydrophobicContact CD2-CD2 3.51Å; L84-L143 HydrophobicContact CG-CD2 4.21Å; L84-L154 HydrophobicContact CD2-CD1 4.05Å; L84-L158 HydrophobicContact CB-CD1 3.57Å; L84-L158 HydrophobicContact CB-CD2 4.32Å; L84-L158 HydrophobicContact CD2-CD2 4.47Å; L84-F160 PolarHBondContact N-O 2.82Å; L84-L161 HydrophobicContact CB-CD1 4.01Å; L84-L161 HydrophobicContact CD2-CD1 3.64Å; L84-L161 HydrophobicContact CG-CD1 3.78Å; L84-L161 CarbonylContact O-C 3.58Å; L84-L161 WeakPolarHBondContact O-CA 3.49Å; L84-V162 PolarHBondContact O-N 3.41Å; L84-L185 HydrophobicContact CD2-CD2 4.45Å |
| 85 | V | 96 | Very high | 84.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.4 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | F61 L65 L96 I100 I135 I136 V137 S138 V162 | F61-V85 HydrophobicContact CE2-CG1 4.3Å; L65-V85 HydrophobicContact CD2-CG2 3.8Å; V85-L96 HydrophobicContact CG1-CD1 3.8Å; V85-I100 HydrophobicContact CG2-CD1 4.01Å; V85-I135 HydrophobicContact CG2-CG2 4.17Å; V85-I136 PolarHBondContact N-O 3.37Å; V85-V137 HydrophobicContact CB-CB 4.41Å; V85-V137 HydrophobicContact CB-CG1 4.12Å; V85-V137 HydrophobicContact CB-CG2 4.1Å; V85-V137 HydrophobicContact CG1-CG1 4.16Å; V85-V137 HydrophobicContact CG2-CG2 4.41Å; V85-V137 WeakPolarHBondContact O-CA 3.37Å; V85-S138 PolarHBondContact O-N 3.32Å; V85-V162 HydrophobicContact CB-CB 4.29Å; V85-V162 HydrophobicContact CG1-CB 4.09Å; V85-V162 HydrophobicContact CG1-CG1 4.17Å; V85-V162 HydrophobicContact CG2-CB 4.08Å; V85-V162 HydrophobicContact CG2-CG2 4.17Å |
| 86 | I | 93.3 | Very high | 84.9 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.8 | -179.9 | -57.2 | -177.1 | 0 | 0 | 0 | 109.1 | L84 S138 P140 L143 L161 V162 D164 L169 L178 | L84-I86 HydrophobicContact CD1-CG1 4.41Å; L84-I86 HydrophobicContact CD2-CD1 4.22Å; L84-I86 HydrophobicContact CD2-CG1 4.29Å; L84-I86 HydrophobicContact CG-CG1 4.07Å; I86-S138 WeakPolarHBondContact CA-O 3.02Å; I86-P140 HydrophobicContact CG2-CG 3.56Å; I86-L143 HydrophobicContact CD1-CD2 4.33Å; I86-L161 HydrophobicContact CD1-CD1 3.91Å; I86-L161 HydrophobicContact CG1-CD1 4.19Å; I86-V162 PolarHBondContact N-O 2.92Å; I86-D164 PolarHBondContact O-N 3.07Å; I86-L169 HydrophobicContact CG2-CD1 4.23Å; I86-L169 HydrophobicContact CG2-CD2 3.85Å; I86-L178 HydrophobicContact CD1-CD2 3.81Å; I86-L178 HydrophobicContact CG2-CD2 4.25Å |
| 87 | A | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -122.6 | 149.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A89 L92 A93 L96 S138 T139 | A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 3.08Å; A87-L92 HydrophobicContact CB-CB 4.15Å; A87-L92 HydrophobicContact CB-CD2 4.15Å; A87-L92 HydrophobicContact CB-CG 4.22Å; A87-A93 HydrophobicContact CB-CB 3.97Å; A87-L96 HydrophobicContact CB-CD1 3.87Å; A87-S138 PolarHBondContact N-O 3.29Å; A87-T139 WeakPolarHBondContact O-CA 3.31Å; A87-T139 WeakPolarHBondContact O-CG2 3.49Å | ||
| 88 | P | 75.9 | Confident | 86 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -69.1 | -24.1 | 179.3 | 28.5 | -39.6 | 0 | 0 | 0 | 114.3 | L92 D164 E165 M168 L169 F172 Y174 | P88-L92 HydrophobicContact CG-CD2 3.93Å; P88-D164 WeakPolarHBondContact CD-O 3.22Å; P88-E165 HydrophobicContact CG-CB 4.25Å; P88-M168 HydrophobicContact CB-CB 3.76Å; P88-M168 HydrophobicContact CG-CB 3.71Å; P88-M168 HydrophobicContact CG-CE 4.17Å; P88-M168 HydrophobicContact CG-SD 4.48Å; P88-L169 HydrophobicContact CB-CD2 4.06Å; P88-L169 HydrophobicContact CB-CG 4.15Å; P88-F172 HydrophobicContact CB-CD2 3.69Å; P88-F172 HydrophobicContact CB-CE2 3.83Å; P88-Y174 WeakPolarHBondContact O-CE2 3.44Å |
| 89 | A | 72.4 | Confident | 86.3 | Confident | 13 Ų | 13 | 25.9 Ų | 25.9 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -131 | 147.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | A87 E91 L92 A93 | A87-A89 VanDerWaalsContact C-N 3.31Å; A87-A89 PolarHBondContact O-N 3.08Å; A89-E91 WeakPolarHBondContact CB-OE2 3.39Å; A89-E91 PolarHBondContact O-N 2.97Å; A89-L92 HydrophobicContact CB-CB 4.27Å; A89-L92 PolarHBondContact O-N 3.41Å; A89-A93 PolarHBondContact O-N 3.11Å |
| 90 | K | 74.2 | Confident | 86.6 | Confident | 63 Ų | 63 | 22.4 Ų | 22.4 | 27% | 0.274 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -56.4 | -41.6 | 179.3 | -76.2 | -176.7 | -173.7 | 158.4 | 0 | 111.5 | S94 I117 T139 E360 | K90-S94 PolarHBondContact O-N 3.29Å; K90-S94 VanDerWaalsContact O-N 3.08Å; K90-S94 PolarHBondContact O-OG 2.91Å; K90-I117 HydrophobicContact CB-CG2 3.51Å; K90-I117 HydrophobicContact CD-CG2 3.86Å; K90-I117 HydrophobicContact CG-CG1 4.36Å; K90-I117 HydrophobicContact CG-CG2 3.48Å; K90-I117 VanDerWaalsContact CG-CG2 3.48Å; K90-T139 HydrophobicContact CG-CG2 4.32Å; K90-E360 IonicContact NZ-OE1 3.35Å; K90-E360 PolarHBondContact NZ-OE1 3.16Å |
| 91 | E | 68.2 | Low | 86.8 | Confident | 38 Ų | 38 | 24.7 Ų | 24.7 | 18% | 0.178 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.5 | -41.1 | -178.3 | -53.2 | 71.7 | -158.4 | 0 | 0 | 111.4 | A89 A93 S94 Q95 V291 | A89-E91 WeakPolarHBondContact CB-OE2 3.39Å; A89-E91 PolarHBondContact O-N 2.97Å; E91-A93 VanDerWaalsContact C-N 3.33Å; E91-S94 PolarHBondContact O-N 3.31Å; E91-Q95 VanDerWaalsContact O-CG 3.31Å; E91-Q95 WeakPolarHBondContact O-CG 3.14Å; E91-Q95 PolarHBondContact O-N 3.35Å; E91-V291 WeakPolarHBondContact OE1-CG1 3.19Å |
| 92 | L | 78.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 26.8 Ų | 26.8 | 8% | 0.084 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 178.8 | -169.9 | 68.2 | 0 | 0 | 0 | 109.8 | A87 P88 A89 S94 Q95 L96 E165 | A87-L92 HydrophobicContact CB-CB 4.15Å; A87-L92 HydrophobicContact CB-CD2 4.15Å; A87-L92 HydrophobicContact CB-CG 4.22Å; P88-L92 HydrophobicContact CG-CD2 3.93Å; A89-L92 HydrophobicContact CB-CB 4.27Å; A89-L92 PolarHBondContact O-N 3.41Å; L92-S94 PolarHBondContact O-N 2.8Å; L92-Q95 PolarHBondContact O-N 2.78Å; L92-L96 HydrophobicContact CG-CD1 4.28Å; L92-L96 HydrophobicContact CG-CG 4.39Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 3.43Å; L92-E165 HydrophobicContact CD2-CB 4.28Å; L92-E165 HydrophobicContact CD2-CG 3.91Å |
| 93 | A | 84.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A87 A89 E91 Q95 L96 C97 I117 V137 | A87-A93 HydrophobicContact CB-CB 3.97Å; A89-A93 PolarHBondContact O-N 3.11Å; E91-A93 VanDerWaalsContact C-N 3.33Å; A93-Q95 VanDerWaalsContact C-N 3.32Å; A93-Q95 PolarHBondContact O-N 2.65Å; A93-L96 PolarHBondContact O-N 3.14Å; A93-C97 WeakPolarHBondContact O-CB 3.4Å; A93-C97 PolarHBondContact O-N 2.94Å; A93-I117 HydrophobicContact CB-CD1 3.13Å; A93-V137 HydrophobicContact CB-CG1 3.85Å; A93-V137 VanDerWaalsContact O-CG1 3.27Å; A93-V137 WeakPolarHBondContact O-CG1 3.04Å |
| 94 | S | 84 | Confident | 86.7 | Confident | 45 Ų | 45 | 26.6 Ų | 26.6 | 32% | 0.315 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 176 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | K90 E91 L92 C97 E98 D115 | K90-S94 PolarHBondContact O-N 3.29Å; K90-S94 VanDerWaalsContact O-N 3.08Å; K90-S94 PolarHBondContact O-OG 2.91Å; E91-S94 PolarHBondContact O-N 3.31Å; L92-S94 PolarHBondContact O-N 2.8Å; S94-C97 PolarHBondContact O-N 3.01Å; S94-E98 PolarHBondContact O-N 3.09Å; S94-D115 VanDerWaalsContact CA-OD2 3.29Å; S94-D115 WeakPolarHBondContact CA-OD2 3.49Å; S94-D115 WeakPolarHBondContact CB-OD2 3.49Å; S94-D115 PolarHBondContact OG-OD2 3.14Å |
| 95 | Q | 81.2 | Confident | 86.5 | Confident | 60 Ų | 60 | 31.1 Ų | 31.1 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.6 | -43 | 175.7 | -73.1 | 179.5 | -6 | 0 | 0 | 112.5 | E91 L92 A93 C97 E98 H99 D370 | E91-Q95 VanDerWaalsContact O-CG 3.31Å; E91-Q95 WeakPolarHBondContact O-CG 3.14Å; E91-Q95 PolarHBondContact O-N 3.35Å; L92-Q95 PolarHBondContact O-N 2.78Å; A93-Q95 VanDerWaalsContact C-N 3.32Å; A93-Q95 PolarHBondContact O-N 2.65Å; Q95-C97 VanDerWaalsContact C-N 3.33Å; Q95-E98 PolarHBondContact O-N 2.67Å; Q95-H99 WeakPolarHBondContact O-CB 3.34Å; Q95-H99 PolarHBondContact O-N 2.84Å; Q95-D370 VanDerWaalsContact NE2-CB 3.29Å |
| 96 | L | 89.9 | Confident | 86.3 | Confident | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 175.8 | -71.4 | 176.9 | 0 | 0 | 0 | 111 | T58 F61 V85 A87 L92 A93 H99 I100 V137 D164 | T58-L96 HydrophobicContact CG2-CD2 3.4Å; T58-L96 VanDerWaalsContact CG2-CD2 3.4Å; F61-L96 HydrophobicContact CE2-CD2 4.47Å; F61-L96 HydrophobicContact CZ-CD2 3.73Å; V85-L96 HydrophobicContact CG1-CD1 3.8Å; A87-L96 HydrophobicContact CB-CD1 3.87Å; L92-L96 HydrophobicContact CG-CD1 4.28Å; L92-L96 HydrophobicContact CG-CG 4.39Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 3.43Å; A93-L96 PolarHBondContact O-N 3.14Å; L96-H99 PolarHBondContact O-N 2.82Å; L96-I100 WeakPolarHBondContact O-CB 3.5Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.92Å; L96-V137 HydrophobicContact CB-CG1 4.02Å; L96-D164 HydrophobicContact CD1-CB 3.93Å |
| 97 | C | 92.1 | Very high | 86 | Confident | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.054 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 176.9 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | A93 S94 Q95 H99 I100 N101 D115 V137 | A93-C97 WeakPolarHBondContact O-CB 3.4Å; A93-C97 PolarHBondContact O-N 2.94Å; S94-C97 PolarHBondContact O-N 3.01Å; Q95-C97 VanDerWaalsContact C-N 3.33Å; C97-H99 VanDerWaalsContact C-N 3.35Å; C97-H99 PolarHBondContact O-N 3.1Å; C97-I100 PolarHBondContact O-N 3.33Å; C97-N101 WeakPolarHBondContact O-CB 3.35Å; C97-N101 PolarHBondContact O-N 3.32Å; C97-N101 PolarHBondContact O-ND2 3.2Å; C97-N101 PolarHBondContact SG-ND2 3.21Å; C97-N101 VanDerWaalsContact SG-ND2 3.4Å; C97-D115 HydrophobicContact CB-CB 3.87Å; C97-D115 PolarHBondContact SG-N 3.47Å; C97-V137 HydrophobicContact CB-CB 4.1Å; C97-V137 HydrophobicContact CB-CG1 4.46Å; C97-V137 HydrophobicContact CB-CG2 3.93Å |
| 98 | E | 89.9 | Confident | 85.7 | Confident | 136 Ų | 136 | 39 Ų | 39 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -62.1 | -42.1 | 174.2 | -174.7 | 174.9 | -175 | 0 | 0 | 111.9 | S94 Q95 N101 T102 | S94-E98 PolarHBondContact O-N 3.09Å; Q95-E98 PolarHBondContact O-N 2.67Å; E98-N101 PolarHBondContact O-N 3.48Å; E98-T102 WeakPolarHBondContact O-CB 3.19Å; E98-T102 PolarHBondContact O-N 3.08Å; E98-T102 PolarHBondContact O-OG1 3.01Å |
| 99 | H | 90.3 | Very high | 86.1 | Confident | 50 Ų | 50 | 42.4 Ų | 42.4 | 23% | 0.231 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -44.7 | 178.6 | -165.5 | 83.9 | 0 | 0 | 0 | 112.5 | W27 T58 Q95 L96 C97 T102 L103 | W27-H99 AromaticContact CH2-CE1 3.63Å; W27-H99 AromaticContact CH2-NE2 3.6Å; W27-H99 AromaticContact CZ2-CE1 3.82Å; T58-H99 HydrophobicContact CG2-CB 4.11Å; T58-H99 WeakPolarHBondContact CG2-CD2 3.3Å; Q95-H99 WeakPolarHBondContact O-CB 3.34Å; Q95-H99 PolarHBondContact O-N 2.84Å; L96-H99 PolarHBondContact O-N 2.82Å; C97-H99 VanDerWaalsContact C-N 3.35Å; C97-H99 PolarHBondContact O-N 3.1Å; H99-T102 WeakPolarHBondContact O-CB 3.3Å; H99-T102 PolarHBondContact O-N 3.36Å; H99-L103 PolarHBondContact O-N 3.38Å |
| 100 | I | 94.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -46.4 | 175.6 | -69.1 | 164.7 | 0 | 0 | 0 | 110 | A62 I66 V85 L96 C97 T102 L103 A104 C113 I135 V137 | A62-I100 HydrophobicContact CB-CG1 3.95Å; I66-I100 HydrophobicContact CD1-CG2 4.18Å; I66-I100 HydrophobicContact CG1-CG2 4.25Å; V85-I100 HydrophobicContact CG2-CD1 4.01Å; L96-I100 WeakPolarHBondContact O-CB 3.5Å; L96-I100 VanDerWaalsContact O-CG1 3.23Å; L96-I100 WeakPolarHBondContact O-CG1 3.46Å; L96-I100 PolarHBondContact O-N 2.92Å; C97-I100 PolarHBondContact O-N 3.33Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 3.04Å; I100-L103 PolarHBondContact O-N 3.25Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.44Å; I100-C113 HydrophobicContact CG2-CB 3.9Å; I100-I135 HydrophobicContact CD1-CG2 4.42Å; I100-I135 HydrophobicContact CG2-CD1 3.89Å; I100-V137 HydrophobicContact CD1-CG2 4.04Å |
| 101 | N | 93.7 | Very high | 87.5 | Confident | 67 Ų | 67 | 41.5 Ų | 41.5 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62 | -33.9 | 176.3 | -79.5 | -50.3 | 0 | 0 | 0 | 112.7 | C97 E98 A104 M105 | C97-N101 WeakPolarHBondContact O-CB 3.35Å; C97-N101 PolarHBondContact O-N 3.32Å; C97-N101 PolarHBondContact O-ND2 3.2Å; C97-N101 PolarHBondContact SG-ND2 3.21Å; C97-N101 VanDerWaalsContact SG-ND2 3.4Å; E98-N101 PolarHBondContact O-N 3.48Å; N101-A104 CarbonylContact O-C 3.58Å; N101-A104 PolarHBondContact O-N 3.13Å; N101-M105 WeakPolarHBondContact O-CA 3.44Å; N101-M105 PolarHBondContact O-N 2.88Å |
| 102 | T | 91.9 | Very high | 88.6 | Confident | 55 Ų | 55 | 41.9 Ų | 41.9 | 34% | 0.337 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.6 | -41.6 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | L25 E98 H99 I100 A104 M105 | L25-T102 HydrophobicContact CD1-CG2 4.32Å; L25-T102 HydrophobicContact CD2-CG2 3.72Å; L25-T102 HydrophobicContact CG-CG2 4.25Å; E98-T102 WeakPolarHBondContact O-CB 3.19Å; E98-T102 PolarHBondContact O-N 3.08Å; E98-T102 PolarHBondContact O-OG1 3.01Å; H99-T102 WeakPolarHBondContact O-CB 3.3Å; H99-T102 PolarHBondContact O-N 3.36Å; I100-T102 VanDerWaalsContact C-N 3.26Å; I100-T102 PolarHBondContact O-N 3.04Å; T102-A104 VanDerWaalsContact C-N 3.34Å; T102-M105 WeakPolarHBondContact O-CB 3.45Å; T102-M105 PolarHBondContact O-N 3.12Å |
| 103 | L | 92.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -32.9 | 173.9 | -71.7 | 170.9 | 0 | 0 | 0 | 112.3 | A21 I22 L25 W27 A59 A62 I63 I66 H99 I100 | A21-L103 WeakPolarHBondContact CB-O 3.38Å; I22-L103 HydrophobicContact CG1-CD2 4.11Å; L25-L103 HydrophobicContact CD1-CD2 3.69Å; L25-L103 HydrophobicContact CD1-CG 4.4Å; W27-L103 HydrophobicContact CH2-CD2 4.17Å; W27-L103 HydrophobicContact CZ3-CD2 3.98Å; A59-L103 HydrophobicContact CB-CD1 4.43Å; A62-L103 HydrophobicContact CB-CD1 3.81Å; I63-L103 HydrophobicContact CG1-CD1 4.24Å; I66-L103 HydrophobicContact CD1-CB 3.5Å; I66-L103 VanDerWaalsContact CD1-CB 3.5Å; I66-L103 HydrophobicContact CD1-CD1 4.45Å; H99-L103 PolarHBondContact O-N 3.38Å; I100-L103 PolarHBondContact O-N 3.25Å |
| 104 | A | 93.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 2% | 0.017 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 6.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I66 I100 N101 T102 Y106 A107 S108 V111 | I66-A104 HydrophobicContact CD1-CB 4.16Å; I66-A104 HydrophobicContact CG2-CB 4.49Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.43Å; I100-A104 PolarHBondContact O-N 3.44Å; N101-A104 CarbonylContact O-C 3.58Å; N101-A104 PolarHBondContact O-N 3.13Å; T102-A104 VanDerWaalsContact C-N 3.34Å; A104-Y106 PolarHBondContact O-N 3.23Å; A104-Y106 VanDerWaalsContact O-N 3.1Å; A104-A107 CarbonylContact O-C 3.54Å; A104-A107 VanDerWaalsContact O-C 3.25Å; A104-A107 WeakPolarHBondContact O-CA 3.28Å; A104-A107 PolarHBondContact O-N 3.49Å; A104-S108 PolarHBondContact O-N 2.83Å; A104-V111 HydrophobicContact CB-CB 4.18Å; A104-V111 HydrophobicContact CB-CG1 4.13Å |
| 105 | M | 91.5 | Very high | 90 | Very high | 96 Ų | 96 | 40.8 Ų | 40.8 | 47% | 0.473 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -55.5 | -36.9 | -171.4 | -177 | -176.7 | -179.3 | 0 | 0 | 113.5 | K24 N101 T102 S108 | K24-M105 HydrophobicContact CD-SD 4.36Å; K24-M105 PolarHBondContact NZ-SD 2.99Å; N101-M105 WeakPolarHBondContact O-CA 3.44Å; N101-M105 PolarHBondContact O-N 2.88Å; T102-M105 WeakPolarHBondContact O-CB 3.45Å; T102-M105 PolarHBondContact O-N 3.12Å; M105-S108 PolarHBondContact O-OG 3.39Å |
| 106 | Y | 92.1 | Very high | 90.2 | Very high | 81 Ų | 81 | 38 Ų | 38 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -89.6 | -6.7 | 178 | -65.1 | -69.9 | 0 | 0 | 0 | 113.7 | R17 K20 A21 K24 A104 | R17-Y106 WeakPolarHBondContact CD-O 3.31Å; K20-Y106 HydrophobicContact CB-CD2 3.87Å; K20-Y106 HydrophobicContact CB-CE2 4.11Å; K20-Y106 HydrophobicContact CB-CG 4.42Å; K20-Y106 HydrophobicContact CD-CD1 3.89Å; K20-Y106 HydrophobicContact CD-CD2 3.99Å; K20-Y106 HydrophobicContact CD-CE1 3.88Å; K20-Y106 HydrophobicContact CD-CE2 3.99Å; K20-Y106 HydrophobicContact CD-CG 3.95Å; K20-Y106 HydrophobicContact CG-CD2 3.81Å; K20-Y106 HydrophobicContact CG-CE1 4.39Å; K20-Y106 HydrophobicContact CG-CE2 3.61Å; K20-Y106 HydrophobicContact CG-CG 4.29Å; A21-Y106 HydrophobicContact CB-CD2 4.04Å; A21-Y106 HydrophobicContact CB-CE2 4.49Å; K24-Y106 HydrophobicContact CD-CE2 4.36Å; A104-Y106 PolarHBondContact O-N 3.23Å; A104-Y106 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 88.2 | Confident | 89.7 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -113.4 | 20.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R17 I70 A104 G109 D110 V111 | R17-A107 HydrophobicContact CB-CB 4.27Å; I70-A107 HydrophobicContact CD1-CB 3.92Å; A104-A107 CarbonylContact O-C 3.54Å; A104-A107 VanDerWaalsContact O-C 3.25Å; A104-A107 WeakPolarHBondContact O-CA 3.28Å; A104-A107 PolarHBondContact O-N 3.49Å; A107-G109 PolarHBondContact O-N 3.41Å; A107-G109 VanDerWaalsContact O-N 3.14Å; A107-D110 PolarHBondContact O-N 3.23Å; A107-V111 HydrophobicContact CB-CG2 4.31Å; A107-V111 PolarHBondContact O-N 3.11Å |
| 108 | S | 81.9 | Confident | 89 | Confident | 84 Ų | 84 | 46.6 Ų | 46.6 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -20.7 | -174.1 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | A104 M105 | A104-S108 PolarHBondContact O-N 2.83Å; M105-S108 PolarHBondContact O-OG 3.39Å |
| 109 | G | 82.9 | Confident | 88 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 74% | 0.742 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -28.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A107 | A107-G109 PolarHBondContact O-N 3.41Å; A107-G109 VanDerWaalsContact O-N 3.14Å |
| 110 | D | 85.3 | Confident | 86.9 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -29.8 | -177.7 | -68 | -29.5 | 0 | 0 | 0 | 112.6 | R17 K73 A107 | R17-D110 IonicContact CZ-OD2 3.89Å; R17-D110 IonicContact NH1-OD2 3.67Å; R17-D110 PolarHBondContact NH1-OD2 3.03Å; R17-D110 IonicContact NH2-OD2 3.81Å; K73-D110 HydrophobicContact CD-CB 4.38Å; K73-D110 WeakPolarHBondContact CD-O 3.34Å; K73-D110 VanDerWaalsContact CE-O 3.32Å; K73-D110 WeakPolarHBondContact CE-O 3.37Å; K73-D110 PolarHBondContact NZ-O 3.1Å; A107-D110 PolarHBondContact O-N 3.23Å |
| 111 | V | 91.3 | Very high | 85.9 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | trans | -117.9 | 112.6 | -174.5 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | I66 V69 I70 A104 A107 I135 | I66-V111 HydrophobicContact CG2-CG2 4.23Å; V69-V111 HydrophobicContact CB-CG2 4.36Å; V69-V111 HydrophobicContact CG1-CB 4.5Å; V69-V111 HydrophobicContact CG1-CG1 4.35Å; V69-V111 HydrophobicContact CG1-CG2 3.91Å; I70-V111 HydrophobicContact CD1-CG2 4.25Å; I70-V111 HydrophobicContact CG1-CG2 3.63Å; A104-V111 HydrophobicContact CB-CB 4.18Å; A104-V111 HydrophobicContact CB-CG1 4.13Å; A107-V111 HydrophobicContact CB-CG2 4.31Å; A107-V111 PolarHBondContact O-N 3.11Å; V111-I135 HydrophobicContact CG1-CD1 3.79Å | ||
| 112 | T | 91.9 | Very high | 84.9 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 28% | 0.282 | 29% | 0.29 | S | S | . | . | trans | -108.2 | 119.1 | 176.8 | 55.3 | 0 | 0 | 0 | 0 | 110.3 | P133 D134 I135 | T112-P133 WeakPolarHBondContact OG1-CA 3.35Å; T112-D134 PolarHBondContact N-OD2 3.15Å; T112-D134 PolarHBondContact O-N 3.37Å; T112-D134 PolarHBondContact OG1-N 2.88Å; T112-D134 PolarHBondContact OG1-OD2 3.19Å; T112-I135 PolarHBondContact O-N 2.71Å | ||
| 113 | C | 93.3 | Very high | 84 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 10% | 0.095 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.4 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | I100 I135 | I100-C113 HydrophobicContact CG2-CB 3.9Å; C113-I135 WeakPolarHBondContact CA-O 3.46Å; C113-I135 HydrophobicContact CB-CB 4.14Å |
| 114 | V | 92.1 | Very high | 83.3 | Confident | 12 Ų | 12 | 56 Ų | 56 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130 | -176.2 | 157.9 | 0 | 0 | 0 | 0 | 111 | L116 L128 P133 I135 V137 | V114-L116 HydrophobicContact CG1-CD2 4.32Å; V114-L128 HydrophobicContact CB-CD2 4.21Å; V114-L128 HydrophobicContact CB-CG 4.37Å; V114-L128 HydrophobicContact CG1-CD2 3.28Å; V114-L128 HydrophobicContact CG1-CG 3.71Å; V114-L128 HydrophobicContact CG2-CD1 3.89Å; V114-L128 HydrophobicContact CG2-CD2 3.94Å; V114-L128 HydrophobicContact CG2-CG 3.71Å; V114-P133 HydrophobicContact CB-CB 3.87Å; V114-P133 HydrophobicContact CB-CG 3.86Å; V114-P133 HydrophobicContact CG1-CG 4.45Å; V114-P133 HydrophobicContact CG2-CB 3.5Å; V114-P133 VanDerWaalsContact CG2-CB 3.5Å; V114-P133 HydrophobicContact CG2-CG 3.78Å; V114-I135 PolarHBondContact N-O 2.94Å; V114-V137 PolarHBondContact O-N 3.45Å |
| 115 | D | 90.7 | Very high | 82.5 | Confident | 11 Ų | 11 | 56 Ų | 56 | 6% | 0.059 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 111 | 166.1 | 179.6 | 2.3 | 0 | 0 | 0 | 109.7 | S94 C97 I117 K118 | S94-D115 VanDerWaalsContact CA-OD2 3.29Å; S94-D115 WeakPolarHBondContact CA-OD2 3.49Å; S94-D115 WeakPolarHBondContact CB-OD2 3.49Å; S94-D115 PolarHBondContact OG-OD2 3.14Å; C97-D115 HydrophobicContact CB-CB 3.87Å; C97-D115 PolarHBondContact SG-N 3.47Å; D115-I117 PolarHBondContact O-N 3.4Å; D115-I117 VanDerWaalsContact OD1-CB 3.26Å; D115-I117 WeakPolarHBondContact OD1-CB 3.41Å; D115-I117 PolarHBondContact OD1-N 2.95Å; D115-K118 HydrophobicContact CB-CB 4.25Å |
| 116 | L | 85.2 | Confident | 82 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -69.8 | -18.5 | 178.3 | -78.8 | 179.2 | 0 | 0 | 0 | 113.5 | V114 Q125 L129 I136 V137 L143 | V114-L116 HydrophobicContact CG1-CD2 4.32Å; L116-Q125 PolarHBondContact O-NE2 2.85Å; L116-L129 HydrophobicContact CD2-CD1 3.97Å; L116-L129 HydrophobicContact CD2-CD2 3.88Å; L116-L129 HydrophobicContact CD2-CG 3.92Å; L116-I136 HydrophobicContact CD1-CG2 3.42Å; L116-I136 VanDerWaalsContact CD1-CG2 3.42Å; L116-I136 HydrophobicContact CG-CG2 3.81Å; L116-V137 PolarHBondContact N-O 2.96Å; L116-L143 HydrophobicContact CD1-CD1 4.27Å |
| 117 | I | 80.1 | Confident | 81.5 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -84.7 | -24.7 | -175.5 | -66 | 142.7 | 0 | 0 | 0 | 111.8 | K90 A93 D115 M119 T139 | K90-I117 HydrophobicContact CB-CG2 3.51Å; K90-I117 HydrophobicContact CD-CG2 3.86Å; K90-I117 HydrophobicContact CG-CG1 4.36Å; K90-I117 HydrophobicContact CG-CG2 3.48Å; K90-I117 VanDerWaalsContact CG-CG2 3.48Å; A93-I117 HydrophobicContact CB-CD1 3.13Å; D115-I117 PolarHBondContact O-N 3.4Å; D115-I117 VanDerWaalsContact OD1-CB 3.26Å; D115-I117 WeakPolarHBondContact OD1-CB 3.41Å; D115-I117 PolarHBondContact OD1-N 2.95Å; I117-M119 PolarHBondContact O-N 2.92Å; I117-T139 HydrophobicContact CD1-CG2 3.98Å |
| 118 | K | 75.4 | Confident | 81.2 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 76% | 0.757 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -59.3 | -18.7 | -177.3 | -139.1 | 179.4 | -172.7 | 177.3 | 0 | 113.6 | D115 | D115-K118 HydrophobicContact CB-CB 4.25Š|
| 119 | M | 69.6 | Low | 81.4 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | trans | -119.6 | 127.4 | 178.2 | -55.5 | -139.9 | 120.8 | 0 | 0 | 110.3 | I117 Q125 | I117-M119 PolarHBondContact O-N 2.92Å; M119-Q125 HydrophobicContact CB-CG 4.05Å; M119-Q125 PolarHBondContact O-NE2 3.28Å | ||
| 120 | D | 67.2 | Low | 81.4 | Confident | 107 Ų | 107 | 62 Ų | 62 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | trans | -78.3 | -30.6 | -176 | -83.1 | -24.5 | 0 | 0 | 0 | 113.6 | ||||
| 121 | H | 73.4 | Confident | 81.3 | Confident | 129 Ų | 129 | 62.8 Ų | 62.8 | 60% | 0.597 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -92.4 | 132.3 | -173.2 | -65.7 | -68.1 | 0 | 0 | 0 | 112.4 | S123 S124 Q125 | H121-S123 PolarHBondContact O-N 3.14Å; H121-S124 PolarHBondContact O-N 3.32Å; H121-Q125 WeakPolarHBondContact O-CG 3.2Å; H121-Q125 PolarHBondContact O-N 3.36Å |
| 122 | L | 72.2 | Confident | 81 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.8 | -37.2 | 177.6 | -64.3 | 166.6 | 0 | 0 | 0 | 111.9 | Q125 K126 D145 E149 | L122-Q125 PolarHBondContact O-N 3.35Å; L122-K126 WeakPolarHBondContact O-CB 3.38Å; L122-K126 PolarHBondContact O-N 3.09Å; L122-D145 HydrophobicContact CD2-CB 4.21Å; L122-E149 WeakPolarHBondContact CD1-OE1 3.46Å |
| 123 | S | 74.2 | Confident | 81 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 57% | 0.566 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 176.4 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | H121 K126 I127 | H121-S123 PolarHBondContact O-N 3.14Å; S123-K126 WeakPolarHBondContact O-CB 3.39Å; S123-K126 PolarHBondContact O-N 2.9Å; S123-I127 WeakPolarHBondContact O-CG1 3.47Å; S123-I127 PolarHBondContact O-N 2.96Å |
| 124 | S | 77 | Confident | 81 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.1 | -39.9 | 177.2 | -52.6 | 0 | 0 | 0 | 0 | 111.6 | H121 K126 I127 L128 | H121-S124 PolarHBondContact O-N 3.32Å; S124-K126 VanDerWaalsContact C-N 3.3Å; S124-K126 PolarHBondContact O-N 3.29Å; S124-I127 PolarHBondContact O-N 2.88Å; S124-L128 PolarHBondContact O-N 2.79Å |
| 125 | Q | 77.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -41 | 173.3 | -67 | 177 | 15.3 | 0 | 0 | 111.2 | L116 M119 H121 L122 I127 L128 L129 | L116-Q125 PolarHBondContact O-NE2 2.85Å; M119-Q125 HydrophobicContact CB-CG 4.05Å; M119-Q125 PolarHBondContact O-NE2 3.28Å; H121-Q125 WeakPolarHBondContact O-CG 3.2Å; H121-Q125 PolarHBondContact O-N 3.36Å; L122-Q125 PolarHBondContact O-N 3.35Å; Q125-I127 VanDerWaalsContact C-N 3.3Å; Q125-I127 PolarHBondContact O-N 3.23Å; Q125-L128 WeakPolarHBondContact O-CB 3.09Å; Q125-L128 PolarHBondContact O-N 3.23Å; Q125-L128 VanDerWaalsContact O-N 3.13Å; Q125-L129 WeakPolarHBondContact O-CB 3.36Å; Q125-L129 WeakPolarHBondContact O-CG 3.18Å; Q125-L129 PolarHBondContact O-N 2.74Å |
| 126 | K | 79.9 | Confident | 81.4 | Confident | 88 Ų | 88 | 63.4 Ų | 63.4 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | 176.3 | -175 | 170.9 | -172.1 | 148.8 | 0 | 112.8 | L122 S123 S124 L129 R130 N151 | L122-K126 WeakPolarHBondContact O-CB 3.38Å; L122-K126 PolarHBondContact O-N 3.09Å; S123-K126 WeakPolarHBondContact O-CB 3.39Å; S123-K126 PolarHBondContact O-N 2.9Å; S124-K126 VanDerWaalsContact C-N 3.3Å; S124-K126 PolarHBondContact O-N 3.29Å; K126-L129 PolarHBondContact O-N 2.88Å; K126-R130 WeakPolarHBondContact O-CG 3.18Å; K126-R130 PolarHBondContact O-N 3.38Å; K126-N151 WeakPolarHBondContact CD-OD1 3.38Å; K126-N151 WeakPolarHBondContact CE-OD1 3.31Å; K126-N151 PolarHBondContact NZ-OD1 2.64Å |
| 127 | I | 82.7 | Confident | 81.8 | Confident | 116 Ų | 116 | 63.3 Ų | 63.3 | 60% | 0.595 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.7 | -43.4 | 175.9 | -65.1 | 165.8 | 0 | 0 | 0 | 110.6 | S123 S124 Q125 R130 | S123-I127 WeakPolarHBondContact O-CG1 3.47Å; S123-I127 PolarHBondContact O-N 2.96Å; S124-I127 PolarHBondContact O-N 2.88Å; Q125-I127 VanDerWaalsContact C-N 3.3Å; Q125-I127 PolarHBondContact O-N 3.23Å; I127-R130 WeakPolarHBondContact O-CB 3.36Å; I127-R130 PolarHBondContact O-N 2.83Å |
| 128 | L | 81.7 | Confident | 82.4 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.325 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 179 | -168.6 | 60 | 0 | 0 | 0 | 111.4 | V114 S124 Q125 R130 S131 | V114-L128 HydrophobicContact CB-CD2 4.21Å; V114-L128 HydrophobicContact CB-CG 4.37Å; V114-L128 HydrophobicContact CG1-CD2 3.28Å; V114-L128 HydrophobicContact CG1-CG 3.71Å; V114-L128 HydrophobicContact CG2-CD1 3.89Å; V114-L128 HydrophobicContact CG2-CD2 3.94Å; V114-L128 HydrophobicContact CG2-CG 3.71Å; S124-L128 PolarHBondContact O-N 2.79Å; Q125-L128 WeakPolarHBondContact O-CB 3.09Å; Q125-L128 PolarHBondContact O-N 3.23Å; Q125-L128 VanDerWaalsContact O-N 3.13Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.29Å; L128-S131 WeakPolarHBondContact O-CB 3.12Å; L128-S131 PolarHBondContact O-N 3.49Å; L128-S131 PolarHBondContact O-OG 2.95Å |
| 129 | L | 85 | Confident | 83 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.7 | -26.6 | 177.7 | -73.2 | 170.3 | 0 | 0 | 0 | 113.8 | L116 Q125 K126 S131 Q132 I136 Q146 N151 V152 | L116-L129 HydrophobicContact CD2-CD1 3.97Å; L116-L129 HydrophobicContact CD2-CD2 3.88Å; L116-L129 HydrophobicContact CD2-CG 3.92Å; Q125-L129 WeakPolarHBondContact O-CB 3.36Å; Q125-L129 WeakPolarHBondContact O-CG 3.18Å; Q125-L129 PolarHBondContact O-N 2.74Å; K126-L129 PolarHBondContact O-N 2.88Å; L129-S131 PolarHBondContact O-N 2.92Å; L129-Q132 PolarHBondContact O-N 2.91Å; L129-I136 HydrophobicContact CD2-CD1 3.7Å; L129-Q146 HydrophobicContact CD1-CB 4.33Å; L129-Q146 HydrophobicContact CD1-CG 4.08Å; L129-N151 HydrophobicContact CD1-CB 4.17Å; L129-V152 HydrophobicContact CD1-CG2 3.45Å; L129-V152 VanDerWaalsContact CD1-CG2 3.45Å; L129-V152 HydrophobicContact CD2-CG2 3.73Å; L129-V152 HydrophobicContact CG-CG2 4.16Å |
| 130 | R | 83 | Confident | 83.9 | Confident | 187 Ų | 187 | 50.1 Ų | 50.1 | 71% | 0.706 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.4 | -27.2 | 172.6 | -81.3 | 177.8 | 179.6 | 175.4 | -0.5 | 113.2 | K126 I127 L128 Q132 | K126-R130 WeakPolarHBondContact O-CG 3.18Å; K126-R130 PolarHBondContact O-N 3.38Å; I127-R130 WeakPolarHBondContact O-CB 3.36Å; I127-R130 PolarHBondContact O-N 2.83Å; L128-R130 VanDerWaalsContact C-N 3.32Å; L128-R130 PolarHBondContact O-N 3.29Å; R130-Q132 PolarHBondContact O-N 2.52Å |
| 131 | S | 83.9 | Confident | 84.8 | Confident | 70 Ų | 70 | 46.9 Ų | 46.9 | 49% | 0.49 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.9 | 175.7 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | L128 L129 | L128-S131 WeakPolarHBondContact O-CB 3.12Å; L128-S131 PolarHBondContact O-N 3.49Å; L128-S131 PolarHBondContact O-OG 2.95Å; L129-S131 PolarHBondContact O-N 2.92Å |
| 132 | Q | 85.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 43 Ų | 43 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | trans | 47.5 | 69.4 | -174.7 | -69.7 | -172.8 | -20.8 | 0 | 0 | 111.7 | Q79 L129 R130 | Q79-Q132 HydrophobicContact CG-CB 3.98Å; Q79-Q132 WeakPolarHBondContact CG-O 3.31Å; Q79-Q132 PolarHBondContact NE2-O 2.98Å; Q79-Q132 PolarHBondContact O-OE1 3.19Å; L129-Q132 PolarHBondContact O-N 2.91Å; R130-Q132 PolarHBondContact O-N 2.52Å | ||
| 133 | P | 91.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -61.8 | 150.4 | 179.1 | 28.9 | -36.3 | 0 | 0 | 0 | 111.2 | I81 T112 V114 I136 | I81-P133 VanDerWaalsContact CA-O 3.31Å; I81-P133 WeakPolarHBondContact CA-O 3.46Å; I81-P133 WeakPolarHBondContact CG1-O 3.36Å; T112-P133 WeakPolarHBondContact OG1-CA 3.35Å; V114-P133 HydrophobicContact CB-CB 3.87Å; V114-P133 HydrophobicContact CB-CG 3.86Å; V114-P133 HydrophobicContact CG1-CG 4.45Å; V114-P133 HydrophobicContact CG2-CB 3.5Å; V114-P133 VanDerWaalsContact CG2-CB 3.5Å; V114-P133 HydrophobicContact CG2-CG 3.78Å; P133-I136 HydrophobicContact CG-CD1 4.43Å; P133-I136 HydrophobicContact CG-CG1 3.98Å | ||
| 134 | D | 93.5 | Very high | 87 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -69.4 | -39.6 | 179.5 | -61.6 | -76.8 | 0 | 0 | 0 | 112.3 | V69 K73 Q79 R82 G83 T112 | V69-D134 HydrophobicContact CG1-CB 3.62Å; V69-D134 HydrophobicContact CG2-CB 4.38Å; K73-D134 WeakPolarHBondContact CE-OD1 3.1Å; K73-D134 IonicContact NZ-OD1 3.69Å; K73-D134 PolarHBondContact NZ-OD1 3.28Å; K73-D134 IonicContact NZ-OD2 3.51Å; K73-D134 PolarHBondContact NZ-OD2 2.97Å; Q79-D134 PolarHBondContact OE1-OD1 3Å; R82-D134 PolarHBondContact N-O 2.92Å; R82-D134 IonicContact NH1-OD1 3.34Å; G83-D134 PolarHBondContact N-O 2.91Å; T112-D134 PolarHBondContact N-OD2 3.15Å; T112-D134 PolarHBondContact O-N 3.37Å; T112-D134 PolarHBondContact OG1-N 2.88Å; T112-D134 PolarHBondContact OG1-OD2 3.19Å |
| 135 | I | 95.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128 | -176.3 | -57.1 | 169.5 | 0 | 0 | 0 | 109.1 | L65 I66 V69 G83 V85 I100 V111 T112 C113 V114 V137 | L65-I135 HydrophobicContact CD1-CG1 4.44Å; L65-I135 HydrophobicContact CD2-CD1 3.9Å; L65-I135 HydrophobicContact CD2-CG1 4.25Å; L65-I135 HydrophobicContact CD2-CG2 3.96Å; L65-I135 HydrophobicContact CG-CD1 3.84Å; L65-I135 HydrophobicContact CG-CG1 4.25Å; I66-I135 HydrophobicContact CG1-CD1 4.41Å; V69-I135 HydrophobicContact CG2-CD1 4.4Å; V69-I135 HydrophobicContact CG2-CG1 4.19Å; G83-I135 WeakPolarHBondContact O-CA 3.23Å; V85-I135 HydrophobicContact CG2-CG2 4.17Å; I100-I135 HydrophobicContact CD1-CG2 4.42Å; I100-I135 HydrophobicContact CG2-CD1 3.89Å; V111-I135 HydrophobicContact CG1-CD1 3.79Å; T112-I135 PolarHBondContact O-N 2.71Å; C113-I135 WeakPolarHBondContact CA-O 3.46Å; C113-I135 HydrophobicContact CB-CB 4.14Å; V114-I135 PolarHBondContact N-O 2.94Å; I135-V137 HydrophobicContact CG2-CG2 4.33Å |
| 136 | I | 94.8 | Very high | 88 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.8 | 171.8 | -67.9 | -179.2 | 0 | 0 | 0 | 109.2 | I81 G83 L84 V85 L116 L129 P133 V152 | I81-I136 HydrophobicContact CD1-CD1 3.61Å; I81-I136 HydrophobicContact CG1-CD1 3.94Å; I81-I136 HydrophobicContact CG1-CG1 4.48Å; I81-I136 HydrophobicContact CG2-CD1 3.86Å; I81-I136 HydrophobicContact CG2-CG1 4.03Å; G83-I136 PolarHBondContact O-N 3.42Å; L84-I136 CarbonylContact C-O 3.6Å; L84-I136 WeakPolarHBondContact CA-O 3.32Å; L84-I136 HydrophobicContact CD1-CB 4.12Å; L84-I136 HydrophobicContact CD1-CG2 3.92Å; V85-I136 PolarHBondContact N-O 3.37Å; L116-I136 HydrophobicContact CD1-CG2 3.42Å; L116-I136 VanDerWaalsContact CD1-CG2 3.42Å; L116-I136 HydrophobicContact CG-CG2 3.81Å; L129-I136 HydrophobicContact CD2-CD1 3.7Å; P133-I136 HydrophobicContact CG-CD1 4.43Å; P133-I136 HydrophobicContact CG-CG1 3.98Å; I136-V152 HydrophobicContact CD1-CG1 4.09Å |
| 137 | V | 94.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | 170.9 | -167.2 | 0 | 0 | 0 | 0 | 108.8 | V85 A93 L96 C97 I100 V114 L116 I135 | V85-V137 HydrophobicContact CB-CB 4.41Å; V85-V137 HydrophobicContact CB-CG1 4.12Å; V85-V137 HydrophobicContact CB-CG2 4.1Å; V85-V137 HydrophobicContact CG1-CG1 4.16Å; V85-V137 HydrophobicContact CG2-CG2 4.41Å; V85-V137 WeakPolarHBondContact O-CA 3.37Å; A93-V137 HydrophobicContact CB-CG1 3.85Å; A93-V137 VanDerWaalsContact O-CG1 3.27Å; A93-V137 WeakPolarHBondContact O-CG1 3.04Å; L96-V137 HydrophobicContact CB-CG1 4.02Å; C97-V137 HydrophobicContact CB-CB 4.1Å; C97-V137 HydrophobicContact CB-CG1 4.46Å; C97-V137 HydrophobicContact CB-CG2 3.93Å; I100-V137 HydrophobicContact CD1-CG2 4.04Å; V114-V137 PolarHBondContact O-N 3.45Å; L116-V137 PolarHBondContact N-O 2.96Å; I135-V137 HydrophobicContact CG2-CG2 4.33Å |
| 138 | S | 92.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 172.2 | -175.5 | -163.9 | 0 | 0 | 0 | 0 | 113.8 | V85 I86 A87 L143 | V85-S138 PolarHBondContact O-N 3.32Å; I86-S138 WeakPolarHBondContact CA-O 3.02Å; A87-S138 PolarHBondContact N-O 3.29Å; S138-L143 PolarHBondContact OG-N 3.26Å |
| 139 | T | 88 | Confident | 89 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | trans | -91.3 | 153.2 | 164.1 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | A87 K90 I117 S141 K142 L143 | A87-T139 WeakPolarHBondContact O-CA 3.31Å; A87-T139 WeakPolarHBondContact O-CG2 3.49Å; K90-T139 HydrophobicContact CG-CG2 4.32Å; I117-T139 HydrophobicContact CD1-CG2 3.98Å; T139-S141 PolarHBondContact O-N 3.15Å; T139-K142 PolarHBondContact O-N 3.44Å; T139-L143 WeakPolarHBondContact O-CB 3.29Å; T139-L143 PolarHBondContact O-N 2.99Å | ||
| 140 | P | 88.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -52.2 | -50.7 | -178.7 | -29.6 | 36.6 | 0 | 0 | 0 | 113.6 | I86 K142 L143 L144 L169 Y174 D177 L178 I181 | I86-P140 HydrophobicContact CG2-CG 3.56Å; P140-K142 PolarHBondContact O-N 2.85Å; P140-L143 PolarHBondContact O-N 2.68Å; P140-L144 VanDerWaalsContact O-CB 3.3Å; P140-L144 WeakPolarHBondContact O-CB 3.49Å; P140-L144 PolarHBondContact O-N 3.05Å; P140-L169 HydrophobicContact CG-CD2 3.74Å; P140-Y174 HydrophobicContact CB-CD1 3.82Å; P140-Y174 HydrophobicContact CB-CG 3.84Å; P140-Y174 HydrophobicContact CG-CD1 4.03Å; P140-Y174 HydrophobicContact CG-CD2 3.87Å; P140-Y174 HydrophobicContact CG-CE2 4.49Å; P140-Y174 HydrophobicContact CG-CG 3.59Å; P140-D177 HydrophobicContact CB-CB 3.84Å; P140-L178 HydrophobicContact CB-CD2 4.38Å; P140-L178 HydrophobicContact CB-CG 4.45Å; P140-L178 HydrophobicContact CG-CD2 4.13Å; P140-L178 HydrophobicContact CG-CG 4.33Å; P140-I181 HydrophobicContact CB-CD1 3.9Å |
| 141 | S | 84.9 | Confident | 89 | Confident | 40 Ų | 40 | 29 Ų | 29 | 28% | 0.28 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -63.5 | -40.4 | -177.1 | -46.1 | 0 | 0 | 0 | 0 | 113 | T139 L144 D145 Y174 D177 | T139-S141 PolarHBondContact O-N 3.15Å; S141-L144 PolarHBondContact O-N 3.5Å; S141-D145 VanDerWaalsContact O-CG 3.3Å; S141-D145 PolarHBondContact O-N 3.07Å; S141-Y174 WeakPolarHBondContact OG-CE1 3.37Å; S141-D177 WeakPolarHBondContact CB-OD2 3.35Å; S141-D177 PolarHBondContact OG-OD2 2.81Å |
| 142 | K | 85.5 | Confident | 89.1 | Confident | 48 Ų | 48 | 25.9 Ų | 25.9 | 21% | 0.209 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -69.9 | -37.1 | 179.2 | -76.7 | -66.7 | 178.1 | -166.9 | 0 | 112.9 | T139 P140 L144 D145 Q146 | T139-K142 PolarHBondContact O-N 3.44Å; P140-K142 PolarHBondContact O-N 2.85Å; K142-L144 VanDerWaalsContact C-N 3.33Å; K142-D145 IonicContact NZ-OD2 3.38Å; K142-Q146 PolarHBondContact O-N 2.83Å |
| 143 | L | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 171.4 | 178.2 | 65.6 | 0 | 0 | 0 | 110.8 | L84 I86 L116 S138 T139 P140 D145 Q146 L147 I181 | L84-L143 HydrophobicContact CD1-CD1 4.1Å; L84-L143 HydrophobicContact CD1-CD2 3.76Å; L84-L143 HydrophobicContact CD2-CD2 3.51Å; L84-L143 HydrophobicContact CG-CD2 4.21Å; I86-L143 HydrophobicContact CD1-CD2 4.33Å; L116-L143 HydrophobicContact CD1-CD1 4.27Å; S138-L143 PolarHBondContact OG-N 3.26Å; T139-L143 WeakPolarHBondContact O-CB 3.29Å; T139-L143 PolarHBondContact O-N 2.99Å; P140-L143 PolarHBondContact O-N 2.68Å; L143-D145 PolarHBondContact O-N 3.01Å; L143-Q146 PolarHBondContact O-N 3.42Å; L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CD1-CG 4.4Å; L143-L147 HydrophobicContact CD2-CD1 4.39Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.35Å; L143-L147 WeakPolarHBondContact O-CG 3.21Å; L143-L147 PolarHBondContact O-N 2.88Å; L143-I181 HydrophobicContact CD2-CD1 4.04Å; L143-I181 HydrophobicContact CD2-CG1 4.26Å; L143-I181 HydrophobicContact CD2-CG2 3.92Å |
| 144 | L | 90.1 | Very high | 89 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -40.8 | -179.6 | -177 | 61.9 | 0 | 0 | 0 | 112.4 | P140 S141 K142 Q146 L147 K148 D177 E180 I181 Y184 | P140-L144 VanDerWaalsContact O-CB 3.3Å; P140-L144 WeakPolarHBondContact O-CB 3.49Å; P140-L144 PolarHBondContact O-N 3.05Å; S141-L144 PolarHBondContact O-N 3.5Å; K142-L144 VanDerWaalsContact C-N 3.33Å; L144-Q146 VanDerWaalsContact C-N 3.29Å; L144-Q146 PolarHBondContact O-N 3.44Å; L144-L147 PolarHBondContact O-N 3.01Å; L144-K148 HydrophobicContact CD1-CD 4.42Å; L144-K148 HydrophobicContact CD1-CG 4.34Å; L144-K148 HydrophobicContact CG-CD 4.2Å; L144-K148 WeakPolarHBondContact O-CB 3.49Å; L144-K148 WeakPolarHBondContact O-CG 3.37Å; L144-K148 PolarHBondContact O-N 3.2Å; L144-D177 HydrophobicContact CD2-CB 4.09Å; L144-E180 HydrophobicContact CD1-CB 3.87Å; L144-E180 HydrophobicContact CD1-CG 3.75Å; L144-E180 HydrophobicContact CD2-CB 4.28Å; L144-E180 WeakPolarHBondContact CD2-OE2 3.41Å; L144-I181 HydrophobicContact CB-CG1 4.22Å; L144-I181 HydrophobicContact CD1-CG1 4.23Å; L144-Y184 HydrophobicContact CD1-CE2 4.49Å |
| 145 | D | 87.6 | Confident | 88.6 | Confident | 64 Ų | 64 | 29.9 Ų | 29.9 | 34% | 0.342 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -54.5 | -46.6 | 173.3 | -69.5 | -20.5 | 0 | 0 | 0 | 111 | L122 S141 K142 L143 K148 E149 | L122-D145 HydrophobicContact CD2-CB 4.21Å; S141-D145 VanDerWaalsContact O-CG 3.3Å; S141-D145 PolarHBondContact O-N 3.07Å; K142-D145 IonicContact NZ-OD2 3.38Å; L143-D145 PolarHBondContact O-N 3.01Å; D145-K148 PolarHBondContact O-N 2.99Å; D145-E149 PolarHBondContact O-N 3.13Å; D145-E149 VanDerWaalsContact O-N 3.11Å |
| 146 | Q | 87.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.3 | -32.5 | -179.3 | -70.1 | -62.2 | -28.7 | 0 | 0 | 113.6 | L129 K142 L143 L144 G150 N151 V152 | L129-Q146 HydrophobicContact CD1-CB 4.33Å; L129-Q146 HydrophobicContact CD1-CG 4.08Å; K142-Q146 PolarHBondContact O-N 2.83Å; L143-Q146 PolarHBondContact O-N 3.42Å; L144-Q146 VanDerWaalsContact C-N 3.29Å; L144-Q146 PolarHBondContact O-N 3.44Å; Q146-G150 PolarHBondContact O-N 2.99Å; Q146-N151 PolarHBondContact O-N 2.95Å; Q146-N151 VanDerWaalsContact O-N 3.12Å; Q146-N151 VanDerWaalsContact OE1-CB 3.31Å; Q146-N151 PolarHBondContact OE1-ND2 3.23Å; Q146-V152 HydrophobicContact CB-CG2 3.86Å |
| 147 | L | 90.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -41.6 | 173.4 | -71.6 | 170.3 | 0 | 0 | 0 | 111.5 | L143 L144 E149 G150 V152 L154 I181 Y184 | L143-L147 HydrophobicContact CD1-CD1 4.39Å; L143-L147 HydrophobicContact CD1-CG 4.4Å; L143-L147 HydrophobicContact CD2-CD1 4.39Å; L143-L147 HydrophobicContact CG-CD1 3.9Å; L143-L147 HydrophobicContact CG-CG 4.35Å; L143-L147 WeakPolarHBondContact O-CG 3.21Å; L143-L147 PolarHBondContact O-N 2.88Å; L144-L147 PolarHBondContact O-N 3.01Å; L147-E149 VanDerWaalsContact C-N 3.32Å; L147-E149 PolarHBondContact O-N 3.34Å; L147-G150 PolarHBondContact O-N 3.48Å; L147-V152 HydrophobicContact CD2-CB 4.08Å; L147-V152 HydrophobicContact CD2-CG1 4.23Å; L147-L154 HydrophobicContact CD2-CD1 3.95Å; L147-L154 HydrophobicContact CD2-CG 4.2Å; L147-I181 HydrophobicContact CD1-CB 4.33Å; L147-I181 HydrophobicContact CD1-CG1 4.05Å; L147-I181 HydrophobicContact CD1-CG2 4.06Å; L147-Y184 HydrophobicContact CB-CD1 4.28Å; L147-Y184 HydrophobicContact CB-CD2 4.17Å; L147-Y184 HydrophobicContact CB-CE1 4.43Å; L147-Y184 HydrophobicContact CB-CE2 4.33Å; L147-Y184 HydrophobicContact CB-CG 4.15Å; L147-Y184 HydrophobicContact CD1-CD2 4.16Å; L147-Y184 HydrophobicContact CD1-CG 4.24Å; L147-Y184 HydrophobicContact CD2-CD1 4.47Å; L147-Y184 HydrophobicContact CD2-CG 4.22Å; L147-Y184 HydrophobicContact CG-CG 4.44Å |
| 148 | K | 88.7 | Confident | 87.8 | Confident | 108 Ų | 108 | 39 Ų | 39 | 47% | 0.47 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64 | -36.5 | 176.4 | -76.4 | 178.3 | 177.3 | 174.6 | 0 | 112.5 | L144 D145 G150 E180 | L144-K148 HydrophobicContact CD1-CD 4.42Å; L144-K148 HydrophobicContact CD1-CG 4.34Å; L144-K148 HydrophobicContact CG-CD 4.2Å; L144-K148 WeakPolarHBondContact O-CB 3.49Å; L144-K148 WeakPolarHBondContact O-CG 3.37Å; L144-K148 PolarHBondContact O-N 3.2Å; D145-K148 PolarHBondContact O-N 2.99Å; K148-G150 PolarHBondContact O-N 2.75Å; K148-E180 WeakPolarHBondContact CE-OE1 3.42Å; K148-E180 WeakPolarHBondContact CE-OE2 3.39Å; K148-E180 VanDerWaalsContact NZ-CD 3.26Å; K148-E180 IonicContact NZ-OE1 2.83Å; K148-E180 PolarHBondContact NZ-OE1 3.49Å; K148-E180 IonicContact NZ-OE2 3.39Å; K148-E180 PolarHBondContact NZ-OE2 2.89Å |
| 149 | E | 85.9 | Confident | 87.8 | Confident | 98 Ų | 98 | 43.3 Ų | 43.3 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -11 | 173.5 | -73.3 | -166 | 169.4 | 0 | 0 | 114 | L122 D145 L147 N151 | L122-E149 WeakPolarHBondContact CD1-OE1 3.46Å; D145-E149 PolarHBondContact O-N 3.13Å; D145-E149 VanDerWaalsContact O-N 3.11Å; L147-E149 VanDerWaalsContact C-N 3.32Å; L147-E149 PolarHBondContact O-N 3.34Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.2Å; E149-N151 PolarHBondContact OE2-ND2 3.41Å |
| 150 | G | 83.9 | Confident | 88.2 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 38% | 0.381 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 19.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q146 L147 K148 V152 H153 | Q146-G150 PolarHBondContact O-N 2.99Å; L147-G150 PolarHBondContact O-N 3.48Å; K148-G150 PolarHBondContact O-N 2.75Å; G150-V152 VanDerWaalsContact C-N 3.29Å; G150-H153 PolarHBondContact O-CE1 3.48Å |
| 151 | N | 85 | Confident | 88.5 | Confident | 28 Ų | 28 | 43.4 Ų | 43.4 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | trans | -78.7 | -17.6 | 177 | -64.3 | -38.4 | 0 | 0 | 0 | 112.1 | K126 L129 Q146 E149 | K126-N151 WeakPolarHBondContact CD-OD1 3.38Å; K126-N151 WeakPolarHBondContact CE-OD1 3.31Å; K126-N151 PolarHBondContact NZ-OD1 2.64Å; L129-N151 HydrophobicContact CD1-CB 4.17Å; Q146-N151 PolarHBondContact O-N 2.95Å; Q146-N151 VanDerWaalsContact O-N 3.12Å; Q146-N151 VanDerWaalsContact OE1-CB 3.31Å; Q146-N151 PolarHBondContact OE1-ND2 3.23Å; E149-N151 VanDerWaalsContact C-N 3.28Å; E149-N151 PolarHBondContact O-N 3.2Å; E149-N151 PolarHBondContact OE2-ND2 3.41Å | ||
| 152 | V | 85.7 | Confident | 89 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | trans | -123.5 | 123.6 | -178.6 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | I81 L129 I136 Q146 L147 G150 L154 | I81-V152 HydrophobicContact CD1-CG1 3.76Å; L129-V152 HydrophobicContact CD1-CG2 3.45Å; L129-V152 VanDerWaalsContact CD1-CG2 3.45Å; L129-V152 HydrophobicContact CD2-CG2 3.73Å; L129-V152 HydrophobicContact CG-CG2 4.16Å; I136-V152 HydrophobicContact CD1-CG1 4.09Å; Q146-V152 HydrophobicContact CB-CG2 3.86Å; L147-V152 HydrophobicContact CD2-CB 4.08Å; L147-V152 HydrophobicContact CD2-CG1 4.23Å; G150-V152 VanDerWaalsContact C-N 3.29Å; V152-L154 HydrophobicContact CG1-CD1 4.28Å; V152-L154 HydrophobicContact CG1-CD2 3.68Å; V152-L154 HydrophobicContact CG1-CG 3.76Å | ||
| 153 | H | 86.4 | Confident | 89.3 | Confident | 128 Ų | 128 | 39.3 Ų | 39.3 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | trans | -111.3 | 112.8 | 175.6 | -66.2 | 77.3 | 0 | 0 | 0 | 108.6 | G150 T157 | G150-H153 PolarHBondContact O-CE1 3.48Å; H153-T157 PolarHBondContact O-OG1 3.29Å | ||
| 154 | L | 89.4 | Confident | 89.3 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -111.9 | -15 | -178.3 | -60 | -180 | 0 | 0 | 0 | 113.1 | I81 L84 L147 V152 D156 T157 L158 L185 P186 | I81-L154 HydrophobicContact CB-CD2 4.12Å; I81-L154 HydrophobicContact CD1-CD2 4.25Å; I81-L154 HydrophobicContact CG2-CD2 3.67Å; L84-L154 HydrophobicContact CD2-CD1 4.05Å; L147-L154 HydrophobicContact CD2-CD1 3.95Å; L147-L154 HydrophobicContact CD2-CG 4.2Å; V152-L154 HydrophobicContact CG1-CD1 4.28Å; V152-L154 HydrophobicContact CG1-CD2 3.68Å; V152-L154 HydrophobicContact CG1-CG 3.76Å; L154-D156 PolarHBondContact O-N 2.91Å; L154-D156 VanDerWaalsContact O-N 3.08Å; L154-T157 WeakPolarHBondContact CA-OG1 3.46Å; L154-T157 PolarHBondContact O-N 3.13Å; L154-L158 HydrophobicContact CB-CB 4.22Å; L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 PolarHBondContact O-N 3.41Å; L154-L185 HydrophobicContact CB-CD2 4.06Å; L154-L185 HydrophobicContact CD1-CD2 3.62Å; L154-L185 HydrophobicContact CG-CD2 4.5Å; L154-P186 VanDerWaalsContact O-CD 3.3Å; L154-P186 WeakPolarHBondContact O-CD 3.25Å | ||
| 155 | S | 85.2 | Confident | 88.9 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.3 | -168.6 | 50.6 | 0 | 0 | 0 | 0 | 114.6 | Y184 P186 | S155-Y184 PolarHBondContact N-O 2.64Å; S155-P186 VanDerWaalsContact O-CA 3.23Å; S155-P186 WeakPolarHBondContact O-CA 3.38Å; S155-P186 WeakPolarHBondContact O-CB 3.33Å |
| 156 | D | 85.9 | Confident | 88.6 | Confident | 149 Ų | 149 | 37.1 Ų | 37.1 | 80% | 0.797 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -3.3 | -173.7 | -50.8 | -65 | 0 | 0 | 0 | 112.9 | L154 | L154-D156 PolarHBondContact O-N 2.91Å; L154-D156 VanDerWaalsContact O-N 3.08Å |
| 157 | T | 89.3 | Confident | 87.9 | Confident | 39 Ų | 39 | 37.6 Ų | 37.6 | 24% | 0.239 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -29.9 | -169.4 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | C80 I81 H153 L154 E159 | C80-T157 HydrophobicContact CB-CG2 3.83Å; I81-T157 CarbonylContact O-C 3.55Å; I81-T157 WeakPolarHBondContact O-CB 3.36Å; I81-T157 PolarHBondContact O-OG1 3.08Å; H153-T157 PolarHBondContact O-OG1 3.29Å; L154-T157 WeakPolarHBondContact CA-OG1 3.46Å; L154-T157 PolarHBondContact O-N 3.13Å; T157-E159 PolarHBondContact O-N 3.32Å |
| 158 | L | 92.7 | Very high | 86.9 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | trans | -74.6 | 122.8 | -174.3 | -175 | 74.1 | 0 | 0 | 0 | 111.2 | L84 L154 L185 P186 | L84-L158 HydrophobicContact CB-CD1 3.57Å; L84-L158 HydrophobicContact CB-CD2 4.32Å; L84-L158 HydrophobicContact CD2-CD2 4.47Å; L154-L158 HydrophobicContact CB-CB 4.22Å; L154-L158 WeakPolarHBondContact O-CB 3.44Å; L154-L158 PolarHBondContact O-N 3.41Å; L158-L185 HydrophobicContact CD2-CD1 4.24Å; L158-L185 HydrophobicContact CD2-CD2 3.61Å; L158-L185 HydrophobicContact CD2-CG 4.4Å; L158-P186 HydrophobicContact CB-CG 3.89Å; L158-P186 WeakPolarHBondContact O-CG 3.48Å | ||
| 159 | E | 92.9 | Very high | 86.2 | Confident | 89 Ų | 89 | 32.8 Ų | 32.8 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | trans | -107.2 | -29.5 | 178.4 | -65.9 | 173.6 | -163.5 | 0 | 0 | 112 | R82 T157 Q190 | R82-E159 IonicContact NE-OE1 2.95Å; R82-E159 PolarHBondContact O-N 3.03Å; T157-E159 PolarHBondContact O-N 3.32Å; E159-Q190 PolarHBondContact O-N 3.41Å | ||
| 160 | F | 95 | Very high | 85.4 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 1% | 0.013 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 120.2 | -170.4 | -155.5 | -78.6 | 0 | 0 | 0 | 112.8 | S41 L65 K68 R82 G83 L84 V162 Q190 F192 | S41-F160 WeakPolarHBondContact OG-CE2 3.15Å; S41-F160 VanDerWaalsContact OG-CZ 3.32Å; S41-F160 WeakPolarHBondContact OG-CZ 3.2Å; L65-F160 HydrophobicContact CB-CD1 4.34Å; L65-F160 HydrophobicContact CB-CE1 4.35Å; L65-F160 HydrophobicContact CD1-CB 3.77Å; L65-F160 HydrophobicContact CD1-CD1 3.78Å; L65-F160 HydrophobicContact CD1-CG 3.89Å; K68-F160 HydrophobicContact CD-CD2 3.75Å; K68-F160 HydrophobicContact CD-CE2 4.03Å; R82-F160 PolarHBondContact O-N 3.42Å; G83-F160 CarbonylContact C-O 3.58Å; G83-F160 WeakPolarHBondContact CA-O 3.43Å; L84-F160 PolarHBondContact N-O 2.82Å; F160-V162 HydrophobicContact CD1-CG2 3.81Å; F160-V162 HydrophobicContact CE1-CG2 3.56Å; F160-Q190 CarbonylContact C-O 3.58Å; F160-Q190 WeakPolarHBondContact CA-O 3.45Å; F160-Q190 HydrophobicContact CD2-CB 4.07Å; F160-Q190 HydrophobicContact CD2-CG 4.11Å; F160-Q190 HydrophobicContact CE2-CB 4.45Å; F160-Q190 HydrophobicContact CE2-CG 3.97Å; F160-F192 HydrophobicContact CE1-CB 3.95Å; F160-F192 HydrophobicContact CZ-CB 4.14Å; F160-F192 HydrophobicContact CZ-CD2 4.28Å |
| 161 | L | 95.4 | Very high | 84.2 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.016 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.2 | 177.3 | 178.1 | 65.6 | 0 | 0 | 0 | 110.7 | L84 I86 L185 Y189 Q190 A191 F192 L209 | L84-L161 HydrophobicContact CB-CD1 4.01Å; L84-L161 HydrophobicContact CD2-CD1 3.64Å; L84-L161 HydrophobicContact CG-CD1 3.78Å; L84-L161 CarbonylContact O-C 3.58Å; L84-L161 WeakPolarHBondContact O-CA 3.49Å; I86-L161 HydrophobicContact CD1-CD1 3.91Å; I86-L161 HydrophobicContact CG1-CD1 4.19Å; L161-L185 HydrophobicContact CD2-CD1 3.95Å; L161-Y189 HydrophobicContact CB-CD2 3.85Å; L161-Y189 HydrophobicContact CB-CE2 4.03Å; L161-Y189 HydrophobicContact CD2-CD2 4.32Å; L161-Y189 HydrophobicContact CD2-CE2 3.64Å; L161-Y189 HydrophobicContact CG-CE2 4.48Å; L161-Q190 PolarHBondContact N-O 2.9Å; L161-A191 CarbonylContact O-C 3.6Å; L161-A191 VanDerWaalsContact O-CA 3.29Å; L161-A191 WeakPolarHBondContact O-CA 3.36Å; L161-F192 PolarHBondContact O-N 2.88Å; L161-L209 HydrophobicContact CD2-CD2 4.27Å |
| 162 | V | 95.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.3 | 172.2 | -177.9 | 0 | 0 | 0 | 0 | 109.8 | F61 L84 V85 I86 F160 F192 | F61-V162 HydrophobicContact CB-CG1 4.38Å; F61-V162 HydrophobicContact CB-CG2 4.22Å; F61-V162 HydrophobicContact CD1-CG1 3.95Å; F61-V162 HydrophobicContact CD2-CB 4.29Å; F61-V162 HydrophobicContact CD2-CG1 3.66Å; F61-V162 HydrophobicContact CD2-CG2 3.78Å; F61-V162 HydrophobicContact CE1-CG1 4.02Å; F61-V162 HydrophobicContact CE2-CG1 3.78Å; F61-V162 HydrophobicContact CE2-CG2 4.43Å; F61-V162 HydrophobicContact CG-CG1 3.75Å; F61-V162 HydrophobicContact CG-CG2 4.17Å; F61-V162 HydrophobicContact CZ-CG1 3.94Å; L84-V162 PolarHBondContact O-N 3.41Å; V85-V162 HydrophobicContact CB-CB 4.29Å; V85-V162 HydrophobicContact CG1-CB 4.09Å; V85-V162 HydrophobicContact CG1-CG1 4.17Å; V85-V162 HydrophobicContact CG2-CB 4.08Å; V85-V162 HydrophobicContact CG2-CG2 4.17Å; I86-V162 PolarHBondContact N-O 2.92Å; F160-V162 HydrophobicContact CD1-CG2 3.81Å; F160-V162 HydrophobicContact CE1-CG2 3.56Å; V162-F192 CarbonylContact C-O 3.46Å; V162-F192 VanDerWaalsContact CA-O 3.28Å; V162-F192 WeakPolarHBondContact CA-O 3.19Å; V162-F192 HydrophobicContact CG2-CB 4.27Å |
| 163 | A | 92.4 | Very high | 82.1 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 101.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L169 F192 L193 T194 L209 | A163-L169 HydrophobicContact CB-CD1 4Å; A163-F192 PolarHBondContact N-O 2.91Å; A163-L193 HydrophobicContact CB-CG 4.48Å; A163-L193 WeakPolarHBondContact O-CA 3.48Å; A163-T194 PolarHBondContact O-N 2.75Å; A163-L209 HydrophobicContact CB-CD1 3.98Å |
| 164 | D | 89.7 | Confident | 81.7 | Confident | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | trans | -88.5 | 141 | -178.8 | -164.3 | 44 | 0 | 0 | 0 | 111.3 | F61 I86 P88 L96 A166 T194 | F61-D164 HydrophobicContact CE1-CB 4.4Å; F61-D164 HydrophobicContact CZ-CB 4.4Å; I86-D164 PolarHBondContact O-N 3.07Å; P88-D164 WeakPolarHBondContact CD-O 3.22Å; L96-D164 HydrophobicContact CD1-CB 3.93Å; D164-A166 PolarHBondContact O-N 3.1Å; D164-T194 WeakPolarHBondContact CA-OG1 3.32Å; D164-T194 PolarHBondContact OD1-OG1 3.3Å | ||
| 165 | E | 83.3 | Confident | 81 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 49.5 | 55.2 | -178 | -59 | -68.8 | 171.5 | 0 | 0 | 111.9 | K57 P88 L92 D167 M168 L169 T194 | K57-E165 WeakPolarHBondContact CE-OE1 3.41Å; K57-E165 IonicContact NZ-OE1 3.41Å; K57-E165 PolarHBondContact NZ-OE1 3.46Å; K57-E165 IonicContact NZ-OE2 2.69Å; P88-E165 HydrophobicContact CG-CB 4.25Å; L92-E165 HydrophobicContact CD2-CB 4.28Å; L92-E165 HydrophobicContact CD2-CG 3.91Å; E165-D167 VanDerWaalsContact C-N 3.27Å; E165-D167 PolarHBondContact O-N 3.47Å; E165-M168 HydrophobicContact CB-CB 4.26Å; E165-M168 HydrophobicContact CB-CG 4.25Å; E165-M168 HydrophobicContact CB-SD 4.12Å; E165-M168 WeakPolarHBondContact O-CA 3.36Å; E165-M168 VanDerWaalsContact O-CB 3.26Å; E165-M168 WeakPolarHBondContact O-CB 3.37Å; E165-M168 PolarHBondContact O-N 3.3Å; E165-L169 PolarHBondContact O-N 3.33Å; E165-L169 VanDerWaalsContact O-N 3.14Å; E165-T194 PolarHBondContact N-O 2.95Å; E165-T194 PolarHBondContact N-OG1 3.1Å |
| 166 | A | 81.4 | Confident | 80.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -30.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D164 M168 L169 L170 L193 T194 V202 L205 | D164-A166 PolarHBondContact O-N 3.1Å; A166-M168 PolarHBondContact O-N 3.01Å; A166-L169 PolarHBondContact O-N 3.31Å; A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 3.08Å; A166-L193 HydrophobicContact CB-CD1 3.79Å; A166-L193 HydrophobicContact CB-CD2 3.6Å; A166-L193 HydrophobicContact CB-CG 3.61Å; A166-T194 WeakPolarHBondContact CB-O 2.87Å; A166-T194 PolarHBondContact N-O 2.85Å; A166-V202 HydrophobicContact CB-CG1 4.46Å; A166-L205 HydrophobicContact CB-CD2 4.02Å |
| 167 | D | 72.2 | Confident | 80.7 | Confident | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.3 | -35.4 | 170.2 | 47.8 | -25.8 | 0 | 0 | 0 | 112 | E165 S171 S195 T197 V202 | E165-D167 VanDerWaalsContact C-N 3.27Å; E165-D167 PolarHBondContact O-N 3.47Å; D167-S171 WeakPolarHBondContact O-CB 3.49Å; D167-S171 PolarHBondContact O-N 3.19Å; D167-S171 PolarHBondContact O-OG 3.2Å; D167-S195 WeakPolarHBondContact CB-OG 3.49Å; D167-S195 PolarHBondContact OD1-OG 3.15Å; D167-S195 PolarHBondContact OD2-OG 3.39Å; D167-T197 WeakPolarHBondContact CB-OG1 3.36Å; D167-T197 PolarHBondContact OD2-N 3.36Å; D167-T197 PolarHBondContact OD2-OG1 3.44Å; D167-V202 HydrophobicContact CB-CG2 3.87Å |
| 168 | M | 69.7 | Low | 80.6 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.059 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.6 | -46.4 | 172.5 | -64.8 | -175.8 | 56.4 | 0 | 0 | 111.3 | P88 E165 A166 L170 S171 F172 R367 | P88-M168 HydrophobicContact CB-CB 3.76Å; P88-M168 HydrophobicContact CG-CB 3.71Å; P88-M168 HydrophobicContact CG-CE 4.17Å; P88-M168 HydrophobicContact CG-SD 4.48Å; E165-M168 HydrophobicContact CB-CB 4.26Å; E165-M168 HydrophobicContact CB-CG 4.25Å; E165-M168 HydrophobicContact CB-SD 4.12Å; E165-M168 WeakPolarHBondContact O-CA 3.36Å; E165-M168 VanDerWaalsContact O-CB 3.26Å; E165-M168 WeakPolarHBondContact O-CB 3.37Å; E165-M168 PolarHBondContact O-N 3.3Å; A166-M168 PolarHBondContact O-N 3.01Å; M168-L170 PolarHBondContact O-N 2.92Å; M168-L170 VanDerWaalsContact O-N 3.11Å; M168-S171 WeakPolarHBondContact O-CA 3.48Å; M168-S171 WeakPolarHBondContact O-CB 3.37Å; M168-S171 PolarHBondContact O-N 3.35Å; M168-F172 HydrophobicContact CB-CD2 4.35Å; M168-F172 HydrophobicContact CB-CE2 4.27Å; M168-F172 HydrophobicContact CE-CE2 3.75Å; M168-F172 HydrophobicContact CE-CZ 4.41Å; M168-F172 WeakPolarHBondContact O-CD2 3.27Å; M168-F172 PolarHBondContact O-N 3.36Å; M168-R367 HydrophobicContact CE-CB 3.82Å; M168-R367 HydrophobicContact SD-CB 4.24Å |
| 169 | L | 73.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -49.7 | -42.5 | -179.7 | -79.4 | 168.1 | 0 | 0 | 0 | 112.9 | I86 P88 P140 A163 E165 A166 Y174 L178 | I86-L169 HydrophobicContact CG2-CD1 4.23Å; I86-L169 HydrophobicContact CG2-CD2 3.85Å; P88-L169 HydrophobicContact CB-CD2 4.06Å; P88-L169 HydrophobicContact CB-CG 4.15Å; P140-L169 HydrophobicContact CG-CD2 3.74Å; A163-L169 HydrophobicContact CB-CD1 4Å; E165-L169 PolarHBondContact O-N 3.33Å; E165-L169 VanDerWaalsContact O-N 3.14Å; A166-L169 PolarHBondContact O-N 3.31Å; L169-Y174 HydrophobicContact CD2-CD2 4.08Å; L169-Y174 PolarHBondContact O-N 3.42Å; L169-L178 HydrophobicContact CB-CD1 4.47Å |
| 170 | L | 68.9 | Low | 80.2 | Confident | 17 Ų | 17 | 27.9 Ų | 27.9 | 9% | 0.089 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72 | -40.8 | 177.2 | -64.4 | 166 | 0 | 0 | 0 | 112.6 | A166 M168 F172 G173 E175 E201 V202 L205 | A166-L170 WeakPolarHBondContact O-CG 3.43Å; A166-L170 PolarHBondContact O-N 3.08Å; M168-L170 PolarHBondContact O-N 2.92Å; M168-L170 VanDerWaalsContact O-N 3.11Å; L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 PolarHBondContact O-N 2.78Å; L170-G173 WeakPolarHBondContact O-CA 3.45Å; L170-G173 PolarHBondContact O-N 3.47Å; L170-E175 HydrophobicContact CD2-CB 4.33Å; L170-E175 HydrophobicContact CD2-CG 4.2Å; L170-E201 HydrophobicContact CD1-CB 3.84Å; L170-E201 VanDerWaalsContact CD1-O 3.22Å; L170-E201 WeakPolarHBondContact CD1-O 3.43Å; L170-V202 HydrophobicContact CD1-CB 4.4Å; L170-V202 HydrophobicContact CD1-CG2 4.01Å; L170-L205 HydrophobicContact CD1-CB 3.86Å; L170-L205 HydrophobicContact CD1-CD2 4.09Å; L170-L205 HydrophobicContact CD2-CB 4.07Å; L170-L205 HydrophobicContact CD2-CD1 4.25Å; L170-L205 HydrophobicContact CD2-CD2 4.15Å; L170-L205 HydrophobicContact CD2-CG 4.39Å; L170-L205 HydrophobicContact CG-CB 4.33Å; L170-L205 HydrophobicContact CG-CD2 3.99Å |
| 171 | S | 59.1 | Low | 80 | Confident | 65 Ų | 65 | 27.8 Ų | 27.8 | 46% | 0.455 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 176.1 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | D167 M168 G173 | D167-S171 WeakPolarHBondContact O-CB 3.49Å; D167-S171 PolarHBondContact O-N 3.19Å; D167-S171 PolarHBondContact O-OG 3.2Å; M168-S171 WeakPolarHBondContact O-CA 3.48Å; M168-S171 WeakPolarHBondContact O-CB 3.37Å; M168-S171 PolarHBondContact O-N 3.35Å; S171-G173 PolarHBondContact O-N 2.72Å |
| 172 | F | 61.2 | Low | 79.8 | Confident | 26 Ų | 26 | 29.5 Ų | 29.5 | 11% | 0.114 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -7.2 | 173.6 | -79.7 | -90.4 | 0 | 0 | 0 | 113 | P88 M168 L170 Y174 K361 E362 S363 | P88-F172 HydrophobicContact CB-CD2 3.69Å; P88-F172 HydrophobicContact CB-CE2 3.83Å; M168-F172 HydrophobicContact CB-CD2 4.35Å; M168-F172 HydrophobicContact CB-CE2 4.27Å; M168-F172 HydrophobicContact CE-CE2 3.75Å; M168-F172 HydrophobicContact CE-CZ 4.41Å; M168-F172 WeakPolarHBondContact O-CD2 3.27Å; M168-F172 PolarHBondContact O-N 3.36Å; L170-F172 VanDerWaalsContact C-N 3.26Å; L170-F172 PolarHBondContact O-N 2.78Å; F172-Y174 HydrophobicContact CB-CD2 3.5Å; F172-Y174 VanDerWaalsContact CB-CD2 3.5Å; F172-Y174 HydrophobicContact CB-CE2 3.38Å; F172-Y174 HydrophobicContact CB-CG 4.4Å; F172-Y174 HydrophobicContact CD1-CE2 4.34Å; F172-Y174 HydrophobicContact CG-CD2 4.42Å; F172-Y174 AromaticContact CG-CE2 3.92Å; F172-Y174 HydrophobicContact CG-CE2 3.92Å; F172-K361 WeakPolarHBondContact CD1-O 3.31Å; F172-E362 HydrophobicContact CE1-CB 4.27Å; F172-S363 WeakPolarHBondContact CE2-OG 3.23Å; F172-S363 WeakPolarHBondContact CZ-OG 3.43Å |
| 173 | G | 66.3 | Low | 79.5 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 35% | 0.351 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 18.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L170 S171 E175 | L170-G173 WeakPolarHBondContact O-CA 3.45Å; L170-G173 PolarHBondContact O-N 3.47Å; S171-G173 PolarHBondContact O-N 2.72Å; G173-E175 PolarHBondContact O-N 3.14Å |
| 174 | Y | 76.4 | Confident | 79.5 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 16% | 0.161 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 9.8 | 178.5 | -66.2 | -56.1 | 0 | 0 | 0 | 114.3 | P88 P140 S141 L169 F172 S176 D177 L178 | P88-Y174 WeakPolarHBondContact O-CE2 3.44Å; P140-Y174 HydrophobicContact CB-CD1 3.82Å; P140-Y174 HydrophobicContact CB-CG 3.84Å; P140-Y174 HydrophobicContact CG-CD1 4.03Å; P140-Y174 HydrophobicContact CG-CD2 3.87Å; P140-Y174 HydrophobicContact CG-CE2 4.49Å; P140-Y174 HydrophobicContact CG-CG 3.59Å; S141-Y174 WeakPolarHBondContact OG-CE1 3.37Å; L169-Y174 HydrophobicContact CD2-CD2 4.08Å; L169-Y174 PolarHBondContact O-N 3.42Å; F172-Y174 HydrophobicContact CB-CD2 3.5Å; F172-Y174 VanDerWaalsContact CB-CD2 3.5Å; F172-Y174 HydrophobicContact CB-CE2 3.38Å; F172-Y174 HydrophobicContact CB-CG 4.4Å; F172-Y174 HydrophobicContact CD1-CE2 4.34Å; F172-Y174 HydrophobicContact CG-CD2 4.42Å; F172-Y174 AromaticContact CG-CE2 3.92Å; F172-Y174 HydrophobicContact CG-CE2 3.92Å; Y174-S176 VanDerWaalsContact C-N 3.3Å; Y174-S176 PolarHBondContact O-N 2.98Å; Y174-D177 HydrophobicContact CD1-CB 4.47Å; Y174-D177 PolarHBondContact O-N 2.98Å; Y174-D177 VanDerWaalsContact O-N 3.16Å; Y174-L178 WeakPolarHBondContact O-CB 3.41Å; Y174-L178 VanDerWaalsContact O-CG 3.25Å; Y174-L178 WeakPolarHBondContact O-CG 3.44Å; Y174-L178 PolarHBondContact O-N 2.83Å |
| 175 | E | 75.1 | Confident | 79.6 | Confident | 74 Ų | 74 | 44 Ų | 44 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.8 | -38.5 | -178.7 | -161.3 | -162.6 | -166.6 | 0 | 0 | 112.2 | L170 G173 R179 | L170-E175 HydrophobicContact CD2-CB 4.33Å; L170-E175 HydrophobicContact CD2-CG 4.2Å; G173-E175 PolarHBondContact O-N 3.14Å; E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.19Å; E175-R179 PolarHBondContact O-N 2.97Å; E175-R179 VanDerWaalsContact O-N 3.08Å; E175-R179 IonicContact OE1-CZ 3.39Å; E175-R179 VanDerWaalsContact OE1-CZ 3.29Å; E175-R179 IonicContact OE1-NH1 2.85Å; E175-R179 PolarHBondContact OE1-NH1 2.84Å; E175-R179 IonicContact OE1-NH2 2.63Å; E175-R179 PolarHBondContact OE1-NH2 2.96Å; E175-R179 IonicContact OE2-CZ 2.88Å; E175-R179 IonicContact OE2-NH1 3.29Å; E175-R179 PolarHBondContact OE2-NH1 2.98Å; E175-R179 IonicContact OE2-NH2 3.76Å; E175-R179 PolarHBondContact OE2-NH2 3.22Å |
| 176 | S | 80.3 | Confident | 79.9 | Confident | 69 Ų | 69 | 43.8 Ų | 43.8 | 48% | 0.483 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | Y174 R179 E180 | Y174-S176 VanDerWaalsContact C-N 3.3Å; Y174-S176 PolarHBondContact O-N 2.98Å; S176-R179 WeakPolarHBondContact O-CB 3.34Å; S176-R179 PolarHBondContact O-N 3.28Å; S176-E180 PolarHBondContact O-N 3.32Å |
| 177 | D | 84.8 | Confident | 80.1 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | -175.3 | -62.8 | 11 | 0 | 0 | 0 | 109.8 | P140 S141 L144 Y174 E180 I181 | P140-D177 HydrophobicContact CB-CB 3.84Å; S141-D177 WeakPolarHBondContact CB-OD2 3.35Å; S141-D177 PolarHBondContact OG-OD2 2.81Å; L144-D177 HydrophobicContact CD2-CB 4.09Å; Y174-D177 HydrophobicContact CD1-CB 4.47Å; Y174-D177 PolarHBondContact O-N 2.98Å; Y174-D177 VanDerWaalsContact O-N 3.16Å; D177-E180 PolarHBondContact O-N 2.88Å; D177-E180 VanDerWaalsContact O-N 3.16Å; D177-I181 WeakPolarHBondContact O-CB 3.37Å; D177-I181 WeakPolarHBondContact O-CD1 3.36Å; D177-I181 WeakPolarHBondContact O-CG1 3.26Å; D177-I181 PolarHBondContact O-N 3.4Å |
| 178 | L | 87.4 | Confident | 80.9 | Confident | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.7 | -71.2 | 170.1 | 0 | 0 | 0 | 111.9 | I86 P140 L169 Y174 E180 I181 L182 L205 | I86-L178 HydrophobicContact CD1-CD2 3.81Å; I86-L178 HydrophobicContact CG2-CD2 4.25Å; P140-L178 HydrophobicContact CB-CD2 4.38Å; P140-L178 HydrophobicContact CB-CG 4.45Å; P140-L178 HydrophobicContact CG-CD2 4.13Å; P140-L178 HydrophobicContact CG-CG 4.33Å; L169-L178 HydrophobicContact CB-CD1 4.47Å; Y174-L178 WeakPolarHBondContact O-CB 3.41Å; Y174-L178 VanDerWaalsContact O-CG 3.25Å; Y174-L178 WeakPolarHBondContact O-CG 3.44Å; Y174-L178 PolarHBondContact O-N 2.83Å; L178-E180 VanDerWaalsContact C-N 3.27Å; L178-E180 PolarHBondContact O-N 2.78Å; L178-I181 HydrophobicContact CD2-CD1 4.39Å; L178-I181 PolarHBondContact O-N 3.28Å; L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 2.88Å; L178-L205 HydrophobicContact CD1-CD1 3.87Å; L178-L205 HydrophobicContact CD1-CD2 4.48Å |
| 179 | R | 87.5 | Confident | 82.1 | Confident | 114 Ų | 114 | 59.2 Ų | 59.2 | 43% | 0.43 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 172.9 | -80.9 | 178 | -176.1 | 120.3 | 0.8 | 112.5 | E175 S176 L208 | E175-R179 WeakPolarHBondContact O-CB 3.27Å; E175-R179 VanDerWaalsContact O-CG 3.31Å; E175-R179 WeakPolarHBondContact O-CG 3.19Å; E175-R179 PolarHBondContact O-N 2.97Å; E175-R179 VanDerWaalsContact O-N 3.08Å; E175-R179 IonicContact OE1-CZ 3.39Å; E175-R179 VanDerWaalsContact OE1-CZ 3.29Å; E175-R179 IonicContact OE1-NH1 2.85Å; E175-R179 PolarHBondContact OE1-NH1 2.84Å; E175-R179 IonicContact OE1-NH2 2.63Å; E175-R179 PolarHBondContact OE1-NH2 2.96Å; E175-R179 IonicContact OE2-CZ 2.88Å; E175-R179 IonicContact OE2-NH1 3.29Å; E175-R179 PolarHBondContact OE2-NH1 2.98Å; E175-R179 IonicContact OE2-NH2 3.76Å; E175-R179 PolarHBondContact OE2-NH2 3.22Å; S176-R179 WeakPolarHBondContact O-CB 3.34Å; S176-R179 PolarHBondContact O-N 3.28Å; R179-L208 HydrophobicContact CG-CD1 3.79Å; R179-L208 HydrophobicContact CG-CD2 4.42Å |
| 180 | E | 88.9 | Confident | 83 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.6 | -42.6 | 179.1 | -159.7 | 171 | -178.2 | 0 | 0 | 111.4 | L144 K148 S176 D177 L178 L182 R183 Y184 | L144-E180 HydrophobicContact CD1-CB 3.87Å; L144-E180 HydrophobicContact CD1-CG 3.75Å; L144-E180 HydrophobicContact CD2-CB 4.28Å; L144-E180 WeakPolarHBondContact CD2-OE2 3.41Å; K148-E180 WeakPolarHBondContact CE-OE1 3.42Å; K148-E180 WeakPolarHBondContact CE-OE2 3.39Å; K148-E180 VanDerWaalsContact NZ-CD 3.26Å; K148-E180 IonicContact NZ-OE1 2.83Å; K148-E180 PolarHBondContact NZ-OE1 3.49Å; K148-E180 IonicContact NZ-OE2 3.39Å; K148-E180 PolarHBondContact NZ-OE2 2.89Å; S176-E180 PolarHBondContact O-N 3.32Å; D177-E180 PolarHBondContact O-N 2.88Å; D177-E180 VanDerWaalsContact O-N 3.16Å; L178-E180 VanDerWaalsContact C-N 3.27Å; L178-E180 PolarHBondContact O-N 2.78Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.28Å; E180-R183 WeakPolarHBondContact O-CB 3.41Å; E180-R183 PolarHBondContact O-N 3.4Å; E180-R183 VanDerWaalsContact O-N 3.1Å; E180-Y184 WeakPolarHBondContact O-CD2 3.36Å |
| 181 | I | 91.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 174.4 | -69.9 | 157.2 | 0 | 0 | 0 | 110.9 | P140 L143 L144 L147 D177 L178 R183 Y184 L185 | P140-I181 HydrophobicContact CB-CD1 3.9Å; L143-I181 HydrophobicContact CD2-CD1 4.04Å; L143-I181 HydrophobicContact CD2-CG1 4.26Å; L143-I181 HydrophobicContact CD2-CG2 3.92Å; L144-I181 HydrophobicContact CB-CG1 4.22Å; L144-I181 HydrophobicContact CD1-CG1 4.23Å; L147-I181 HydrophobicContact CD1-CB 4.33Å; L147-I181 HydrophobicContact CD1-CG1 4.05Å; L147-I181 HydrophobicContact CD1-CG2 4.06Å; D177-I181 WeakPolarHBondContact O-CB 3.37Å; D177-I181 WeakPolarHBondContact O-CD1 3.36Å; D177-I181 WeakPolarHBondContact O-CG1 3.26Å; D177-I181 PolarHBondContact O-N 3.4Å; L178-I181 HydrophobicContact CD2-CD1 4.39Å; L178-I181 PolarHBondContact O-N 3.28Å; I181-R183 PolarHBondContact O-N 3.5Å; I181-Y184 WeakPolarHBondContact O-CB 3.5Å; I181-Y184 PolarHBondContact O-N 2.87Å; I181-L185 HydrophobicContact CG2-CD1 4.41Å; I181-L185 HydrophobicContact CG2-CD2 4.25Å; I181-L185 HydrophobicContact CG2-CG 4.29Å |
| 182 | L | 89.6 | Confident | 85.9 | Confident | 39 Ų | 39 | 56 Ų | 56 | 20% | 0.204 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -55.9 | -26.7 | 179.3 | -80.1 | 171.7 | 0 | 0 | 0 | 114 | L178 E180 Y184 L185 Y189 L208 L209 | L178-L182 WeakPolarHBondContact O-CG 3.5Å; L178-L182 PolarHBondContact O-N 2.88Å; E180-L182 VanDerWaalsContact C-N 3.27Å; E180-L182 PolarHBondContact O-N 3.28Å; L182-Y184 PolarHBondContact O-N 2.84Å; L182-L185 HydrophobicContact CD2-CD1 3.98Å; L182-L185 PolarHBondContact O-N 3.23Å; L182-Y189 WeakPolarHBondContact CD2-OH 3.45Å; L182-L208 HydrophobicContact CD1-CD1 4.34Å; L182-L208 HydrophobicContact CD1-CD2 3.28Å; L182-L208 HydrophobicContact CD1-CG 3.5Å; L182-L208 HydrophobicContact CG-CD2 4.47Å; L182-L209 HydrophobicContact CD1-CD2 4.08Å; L182-L209 HydrophobicContact CD2-CD2 3.79Å; L182-L209 HydrophobicContact CG-CD2 4.07Å |
| 183 | R | 89.8 | Confident | 87.4 | Confident | 207 Ų | 207 | 54.9 Ų | 54.9 | 78% | 0.781 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -69.4 | -20.8 | 177.3 | -60.5 | 179.9 | 178.4 | -180 | -1.8 | 113.1 | E180 I181 | E180-R183 WeakPolarHBondContact O-CB 3.41Å; E180-R183 PolarHBondContact O-N 3.4Å; E180-R183 VanDerWaalsContact O-N 3.1Å; I181-R183 PolarHBondContact O-N 3.5Å |
| 184 | Y | 92 | Very high | 88.4 | Confident | 86 Ų | 86 | 53.2 Ų | 53.2 | 34% | 0.337 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -97.6 | -5.1 | 178.8 | -63 | -89.4 | 0 | 0 | 0 | 112.9 | L144 L147 S155 E180 I181 L182 | L144-Y184 HydrophobicContact CD1-CE2 4.49Å; L147-Y184 HydrophobicContact CB-CD1 4.28Å; L147-Y184 HydrophobicContact CB-CD2 4.17Å; L147-Y184 HydrophobicContact CB-CE1 4.43Å; L147-Y184 HydrophobicContact CB-CE2 4.33Å; L147-Y184 HydrophobicContact CB-CG 4.15Å; L147-Y184 HydrophobicContact CD1-CD2 4.16Å; L147-Y184 HydrophobicContact CD1-CG 4.24Å; L147-Y184 HydrophobicContact CD2-CD1 4.47Å; L147-Y184 HydrophobicContact CD2-CG 4.22Å; L147-Y184 HydrophobicContact CG-CG 4.44Å; S155-Y184 PolarHBondContact N-O 2.64Å; E180-Y184 WeakPolarHBondContact O-CD2 3.36Å; I181-Y184 WeakPolarHBondContact O-CB 3.5Å; I181-Y184 PolarHBondContact O-N 2.87Å; L182-Y184 PolarHBondContact O-N 2.84Å |
| 185 | L | 91.9 | Very high | 88.7 | Confident | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.089 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -87.6 | 155.9 | -179 | -61.6 | -164.3 | 0 | 0 | 0 | 111.5 | L84 L154 L158 L161 I181 L182 Y189 | L84-L185 HydrophobicContact CD2-CD2 4.45Å; L154-L185 HydrophobicContact CB-CD2 4.06Å; L154-L185 HydrophobicContact CD1-CD2 3.62Å; L154-L185 HydrophobicContact CG-CD2 4.5Å; L158-L185 HydrophobicContact CD2-CD1 4.24Å; L158-L185 HydrophobicContact CD2-CD2 3.61Å; L158-L185 HydrophobicContact CD2-CG 4.4Å; L161-L185 HydrophobicContact CD2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CD1 4.41Å; I181-L185 HydrophobicContact CG2-CD2 4.25Å; I181-L185 HydrophobicContact CG2-CG 4.29Å; L182-L185 HydrophobicContact CD2-CD1 3.98Å; L182-L185 PolarHBondContact O-N 3.23Å; L185-Y189 HydrophobicContact CB-CE1 4.23Å; L185-Y189 HydrophobicContact CD1-CE1 4.32Å |
| 186 | P | 90.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 11% | 0.11 | 23% | 0.23 | C | C | . | . | trans | -61.4 | 159.3 | 173.6 | 4.8 | -1.2 | 0 | 0 | 0 | 111.4 | L154 S155 L158 T188 Y189 | L154-P186 VanDerWaalsContact O-CD 3.3Å; L154-P186 WeakPolarHBondContact O-CD 3.25Å; S155-P186 VanDerWaalsContact O-CA 3.23Å; S155-P186 WeakPolarHBondContact O-CA 3.38Å; S155-P186 WeakPolarHBondContact O-CB 3.33Å; L158-P186 HydrophobicContact CB-CG 3.89Å; L158-P186 WeakPolarHBondContact O-CG 3.48Å; P186-T188 PolarHBondContact O-N 2.96Å; P186-Y189 VanDerWaalsContact O-CD1 3.3Å; P186-Y189 WeakPolarHBondContact O-CD1 3.44Å; P186-Y189 WeakPolarHBondContact O-CE1 3.3Å | ||
| 187 | K | 85.9 | Confident | 87.9 | Confident | 201 Ų | 201 | 46.1 Ų | 46.1 | 87% | 0.874 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -64.1 | -29 | 172.5 | -66.9 | -176 | -178.5 | 176.8 | 0 | 112.6 | ||
| 188 | T | 89.1 | Confident | 87.1 | Confident | 120 Ų | 120 | 47 Ų | 47 | 74% | 0.736 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -129.2 | 117.3 | -177.1 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | P186 | P186-T188 PolarHBondContact O-N 2.96Š|
| 189 | Y | 93.3 | Very high | 86.1 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -149.6 | 160.5 | 172 | 56.5 | -90.3 | 0 | 0 | 0 | 108.2 | L161 L182 L185 P186 A191 L209 | L161-Y189 HydrophobicContact CB-CD2 3.85Å; L161-Y189 HydrophobicContact CB-CE2 4.03Å; L161-Y189 HydrophobicContact CD2-CD2 4.32Å; L161-Y189 HydrophobicContact CD2-CE2 3.64Å; L161-Y189 HydrophobicContact CG-CE2 4.48Å; L182-Y189 WeakPolarHBondContact CD2-OH 3.45Å; L185-Y189 HydrophobicContact CB-CE1 4.23Å; L185-Y189 HydrophobicContact CD1-CE1 4.32Å; P186-Y189 VanDerWaalsContact O-CD1 3.3Å; P186-Y189 WeakPolarHBondContact O-CD1 3.44Å; P186-Y189 WeakPolarHBondContact O-CE1 3.3Å; Y189-A191 HydrophobicContact CD2-CB 4.3Å; Y189-A191 HydrophobicContact CE2-CB 4.01Å; Y189-L209 WeakPolarHBondContact CE2-O 3.5Å; Y189-L209 PolarHBondContact OH-O 3.08Å; Y189-L209 VanDerWaalsContact OH-O 3.14Å | ||
| 190 | Q | 94.3 | Very high | 85.2 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 137.5 | 170.3 | -175.9 | -179.2 | 6.2 | 0 | 0 | 110.2 | S41 R45 D46 E159 F160 L161 | S41-Q190 PolarHBondContact O-NE2 3.5Å; R45-Q190 PolarHBondContact O-NE2 3.34Å; D46-Q190 WeakPolarHBondContact OD1-CA 3.49Å; E159-Q190 PolarHBondContact O-N 3.41Å; F160-Q190 CarbonylContact C-O 3.58Å; F160-Q190 WeakPolarHBondContact CA-O 3.45Å; F160-Q190 HydrophobicContact CD2-CB 4.07Å; F160-Q190 HydrophobicContact CD2-CG 4.11Å; F160-Q190 HydrophobicContact CE2-CB 4.45Å; F160-Q190 HydrophobicContact CE2-CG 3.97Å; L161-Q190 PolarHBondContact N-O 2.9Å |
| 191 | A | 93.9 | Very high | 84.1 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D46 V47 L161 Y189 L210 | D46-A191 CarbonylContact C-O 3.6Å; D46-A191 VanDerWaalsContact CA-O 3.24Å; D46-A191 WeakPolarHBondContact CA-O 3.48Å; D46-A191 PolarHBondContact OD1-N 2.94Å; V47-A191 PolarHBondContact N-O 3.26Å; L161-A191 CarbonylContact O-C 3.6Å; L161-A191 VanDerWaalsContact O-CA 3.29Å; L161-A191 WeakPolarHBondContact O-CA 3.36Å; Y189-A191 HydrophobicContact CD2-CB 4.3Å; Y189-A191 HydrophobicContact CE2-CB 4.01Å; A191-L210 HydrophobicContact CB-CB 4.39Å; A191-L210 HydrophobicContact CB-CD2 4.06Å; A191-L210 HydrophobicContact CB-CG 3.75Å |
| 192 | F | 95 | Very high | 83.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 116.7 | 173.7 | -158.3 | -61.8 | 0 | 0 | 0 | 109.8 | A37 V47 A49 A60 F61 F160 L161 V162 A163 T194 | A37-F192 HydrophobicContact CB-CE2 4.12Å; A37-F192 HydrophobicContact CB-CZ 3.85Å; V47-F192 HydrophobicContact CB-CD2 3.79Å; V47-F192 HydrophobicContact CB-CE2 3.76Å; V47-F192 HydrophobicContact CB-CG 4.24Å; V47-F192 HydrophobicContact CB-CZ 4.17Å; V47-F192 HydrophobicContact CG1-CD2 4.31Å; V47-F192 HydrophobicContact CG1-CE1 4.24Å; V47-F192 HydrophobicContact CG1-CE2 3.81Å; V47-F192 HydrophobicContact CG1-CZ 3.77Å; V47-F192 HydrophobicContact CG2-CD2 4.33Å; V47-F192 HydrophobicContact CG2-CE2 4.22Å; V47-F192 CarbonylContact O-C 3.54Å; V47-F192 WeakPolarHBondContact O-CA 3.36Å; A49-F192 HydrophobicContact CB-CE1 3.6Å; A49-F192 HydrophobicContact CB-CZ 4.03Å; A60-F192 HydrophobicContact CB-CZ 4.43Å; F61-F192 HydrophobicContact CB-CB 4.25Å; F61-F192 HydrophobicContact CB-CD1 3.72Å; F61-F192 HydrophobicContact CB-CD2 3.81Å; F61-F192 HydrophobicContact CB-CE1 3.94Å; F61-F192 HydrophobicContact CB-CE2 4.01Å; F61-F192 HydrophobicContact CB-CG 3.66Å; F61-F192 HydrophobicContact CB-CZ 4.08Å; F61-F192 HydrophobicContact CD1-CD1 4.44Å; F61-F192 HydrophobicContact CD1-CE1 4.47Å; F160-F192 HydrophobicContact CE1-CB 3.95Å; F160-F192 HydrophobicContact CZ-CB 4.14Å; F160-F192 HydrophobicContact CZ-CD2 4.28Å; L161-F192 PolarHBondContact O-N 2.88Å; V162-F192 CarbonylContact C-O 3.46Å; V162-F192 VanDerWaalsContact CA-O 3.28Å; V162-F192 WeakPolarHBondContact CA-O 3.19Å; V162-F192 HydrophobicContact CG2-CB 4.27Å; A163-F192 PolarHBondContact N-O 2.91Å; F192-T194 HydrophobicContact CD1-CG2 4.02Å; F192-T194 HydrophobicContact CE1-CG2 3.84Å |
| 193 | L | 91.7 | Very high | 82.5 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.7 | 179.2 | -174.2 | 151.5 | 0 | 0 | 0 | 110 | V47 V48 A49 A163 A166 V202 L205 L210 | V47-L193 PolarHBondContact O-N 3.02Å; V48-L193 CarbonylContact C-O 3.26Å; V48-L193 WeakPolarHBondContact CA-O 3.29Å; V48-L193 HydrophobicContact CG1-CD2 3.97Å; V48-L193 HydrophobicContact CG2-CB 4.36Å; A49-L193 PolarHBondContact N-O 3.02Å; A163-L193 HydrophobicContact CB-CG 4.48Å; A163-L193 WeakPolarHBondContact O-CA 3.48Å; A166-L193 HydrophobicContact CB-CD1 3.79Å; A166-L193 HydrophobicContact CB-CD2 3.6Å; A166-L193 HydrophobicContact CB-CG 3.61Å; L193-V202 HydrophobicContact CD2-CG1 4.27Å; L193-L205 HydrophobicContact CD1-CD2 4.25Å; L193-L205 HydrophobicContact CD1-CG 4.41Å; L193-L210 HydrophobicContact CB-CD1 4.03Å; L193-L210 HydrophobicContact CB-CD2 4.1Å; L193-L210 HydrophobicContact CD1-CD1 3.79Å |
| 194 | T | 88.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144.2 | 170.6 | 81.5 | 0 | 0 | 0 | 0 | 110.3 | A49 K57 F61 A163 D164 E165 A166 F192 | A49-T194 WeakPolarHBondContact O-CA 3.44Å; K57-T194 HydrophobicContact CB-CG2 4.29Å; F61-T194 HydrophobicContact CD1-CG2 3.64Å; F61-T194 HydrophobicContact CE1-CG2 3.86Å; A163-T194 PolarHBondContact O-N 2.75Å; D164-T194 WeakPolarHBondContact CA-OG1 3.32Å; D164-T194 PolarHBondContact OD1-OG1 3.3Å; E165-T194 PolarHBondContact N-O 2.95Å; E165-T194 PolarHBondContact N-OG1 3.1Å; A166-T194 WeakPolarHBondContact CB-O 2.87Å; A166-T194 PolarHBondContact N-O 2.85Å; F192-T194 HydrophobicContact CD1-CG2 4.02Å; F192-T194 HydrophobicContact CE1-CG2 3.84Å |
| 195 | S | 82.3 | Confident | 81.2 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 149.4 | 167 | -174 | 0 | 0 | 0 | 0 | 111.5 | A49 R50 A51 D167 T197 | A49-S195 PolarHBondContact O-N 3.01Å; A49-S195 VanDerWaalsContact O-N 3.09Å; R50-S195 WeakPolarHBondContact CA-O 3.49Å; A51-S195 PolarHBondContact N-O 3.33Å; D167-S195 WeakPolarHBondContact CB-OG 3.49Å; D167-S195 PolarHBondContact OD1-OG 3.15Å; D167-S195 PolarHBondContact OD2-OG 3.39Å; S195-T197 WeakPolarHBondContact CB-O 3.22Å; S195-T197 PolarHBondContact OG-N 3.35Å; S195-T197 PolarHBondContact OG-O 3.26Å |
| 196 | A | 70.7 | Confident | 80.7 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73 | -32.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 197 | T | 67.4 | Low | 80.3 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | trans | -125.3 | 165.9 | -172.6 | 63.5 | 0 | 0 | 0 | 0 | 112.2 | D167 S195 | D167-T197 WeakPolarHBondContact CB-OG1 3.36Å; D167-T197 PolarHBondContact OD2-N 3.36Å; D167-T197 PolarHBondContact OD2-OG1 3.44Å; S195-T197 WeakPolarHBondContact CB-O 3.22Å; S195-T197 PolarHBondContact OG-N 3.35Å; S195-T197 PolarHBondContact OG-O 3.26Å | ||
| 198 | L | 67.3 | Low | 80.1 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | trans | -130.7 | 82.5 | 175.4 | -92.5 | 167.5 | 0 | 0 | 0 | 106.6 | R50 V202 V203 | R50-L198 HydrophobicContact CB-CD1 4.45Å; L198-V202 HydrophobicContact CD2-CG1 4.15Å; L198-V203 HydrophobicContact CD2-CG2 4.5Å | ||
| 199 | N | 67.7 | Low | 79.9 | Confident | 79 Ų | 79 | 41.2 Ų | 41.2 | 42% | 0.422 | 22% | 0.215 | S | C | . | . | trans | -87.6 | 162.4 | 171.9 | -63.5 | -6.1 | 0 | 0 | 0 | 109.5 | E201 V202 V203 | N199-E201 PolarHBondContact O-N 3.46Å; N199-E201 VanDerWaalsContact O-N 3.13Å; N199-V202 HydrophobicContact CB-CG2 4.5Å; N199-V202 WeakPolarHBondContact O-CA 3.43Å; N199-V202 WeakPolarHBondContact O-CB 3.3Å; N199-V202 PolarHBondContact O-N 3.27Å; N199-V203 PolarHBondContact O-N 2.96Å; N199-V203 VanDerWaalsContact O-N 3.11Å | ||
| 200 | D | 67.9 | Low | 79.5 | Confident | 148 Ų | 148 | 40.7 Ų | 40.7 | 79% | 0.791 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -56 | -33.1 | -179.6 | -64.5 | -32.3 | 0 | 0 | 0 | 112.6 | V203 A204 | D200-V203 WeakPolarHBondContact O-CB 3.43Å; D200-V203 PolarHBondContact O-N 3.06Å; D200-A204 PolarHBondContact O-N 3.36Å |
| 201 | E | 65.6 | Low | 79.1 | Confident | 116 Ų | 116 | 45.2 Ų | 45.2 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.6 | -57.9 | 179.7 | 172.3 | 0 | 0 | 112.2 | L170 N199 V203 A204 L205 | L170-E201 HydrophobicContact CD1-CB 3.84Å; L170-E201 VanDerWaalsContact CD1-O 3.22Å; L170-E201 WeakPolarHBondContact CD1-O 3.43Å; N199-E201 PolarHBondContact O-N 3.46Å; N199-E201 VanDerWaalsContact O-N 3.13Å; E201-V203 PolarHBondContact O-N 2.85Å; E201-A204 WeakPolarHBondContact O-CB 3.41Å; E201-A204 PolarHBondContact O-N 3.06Å; E201-A204 VanDerWaalsContact O-N 3.12Å; E201-L205 PolarHBondContact O-N 2.87Å |
| 202 | V | 71.2 | Confident | 78.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -33.6 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | A166 D167 L170 L193 L198 N199 A204 L205 K206 | A166-V202 HydrophobicContact CB-CG1 4.46Å; D167-V202 HydrophobicContact CB-CG2 3.87Å; L170-V202 HydrophobicContact CD1-CB 4.4Å; L170-V202 HydrophobicContact CD1-CG2 4.01Å; L193-V202 HydrophobicContact CD2-CG1 4.27Å; L198-V202 HydrophobicContact CD2-CG1 4.15Å; N199-V202 HydrophobicContact CB-CG2 4.5Å; N199-V202 WeakPolarHBondContact O-CA 3.43Å; N199-V202 WeakPolarHBondContact O-CB 3.3Å; N199-V202 PolarHBondContact O-N 3.27Å; V202-A204 VanDerWaalsContact C-N 3.33Å; V202-L205 PolarHBondContact O-N 3.34Å; V202-K206 VanDerWaalsContact O-CB 3.29Å; V202-K206 WeakPolarHBondContact O-CB 3.36Å; V202-K206 PolarHBondContact O-N 3.34Å |
| 203 | V | 77.2 | Confident | 78.4 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 173.3 | 179.4 | 0 | 0 | 0 | 0 | 111 | L198 N199 D200 E201 K206 K207 | L198-V203 HydrophobicContact CD2-CG2 4.5Å; N199-V203 PolarHBondContact O-N 2.96Å; N199-V203 VanDerWaalsContact O-N 3.11Å; D200-V203 WeakPolarHBondContact O-CB 3.43Å; D200-V203 PolarHBondContact O-N 3.06Å; E201-V203 PolarHBondContact O-N 2.85Å; V203-K206 WeakPolarHBondContact O-CB 3.42Å; V203-K206 PolarHBondContact O-N 2.84Å; V203-K207 PolarHBondContact O-N 3.16Å |
| 204 | A | 74.5 | Confident | 78.2 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D200 E201 V202 K206 K207 L208 | D200-A204 PolarHBondContact O-N 3.36Å; E201-A204 WeakPolarHBondContact O-CB 3.41Å; E201-A204 PolarHBondContact O-N 3.06Å; E201-A204 VanDerWaalsContact O-N 3.12Å; V202-A204 VanDerWaalsContact C-N 3.33Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 2.98Å; A204-K207 WeakPolarHBondContact O-CB 3.48Å; A204-K207 PolarHBondContact O-N 2.67Å; A204-K207 VanDerWaalsContact O-N 3.14Å; A204-L208 PolarHBondContact O-N 3.31Å; A204-L208 VanDerWaalsContact O-N 3.15Å |
| 205 | L | 79.3 | Confident | 78 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.7 | -36.4 | 176 | -172.3 | 65.9 | 0 | 0 | 0 | 112.5 | A166 L170 L178 L193 E201 V202 K207 L208 L209 | A166-L205 HydrophobicContact CB-CD2 4.02Å; L170-L205 HydrophobicContact CD1-CB 3.86Å; L170-L205 HydrophobicContact CD1-CD2 4.09Å; L170-L205 HydrophobicContact CD2-CB 4.07Å; L170-L205 HydrophobicContact CD2-CD1 4.25Å; L170-L205 HydrophobicContact CD2-CD2 4.15Å; L170-L205 HydrophobicContact CD2-CG 4.39Å; L170-L205 HydrophobicContact CG-CB 4.33Å; L170-L205 HydrophobicContact CG-CD2 3.99Å; L178-L205 HydrophobicContact CD1-CD1 3.87Å; L178-L205 HydrophobicContact CD1-CD2 4.48Å; L193-L205 HydrophobicContact CD1-CD2 4.25Å; L193-L205 HydrophobicContact CD1-CG 4.41Å; E201-L205 PolarHBondContact O-N 2.87Å; V202-L205 PolarHBondContact O-N 3.34Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 2.75Å; L205-L208 HydrophobicContact CD1-CD2 3.91Å; L205-L208 WeakPolarHBondContact O-CB 3.46Å; L205-L208 PolarHBondContact O-N 2.93Å; L205-L209 HydrophobicContact CD1-CD1 3.71Å; L205-L209 HydrophobicContact CD1-CG 3.85Å; L205-L209 HydrophobicContact CD2-CD1 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.78Å; L205-L209 HydrophobicContact CG-CG 4.18Å; L205-L209 PolarHBondContact O-N 3.16Å |
| 206 | K | 81.9 | Confident | 78.1 | Confident | 54 Ų | 54 | 58.6 Ų | 58.6 | 24% | 0.235 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 173.6 | 178.8 | -169.3 | 173.3 | -163 | 0 | 111.6 | V48 V202 V203 A204 L208 L210 P213 | V48-K206 HydrophobicContact CG2-CD 4.13Å; V48-K206 HydrophobicContact CG2-CG 4Å; V202-K206 VanDerWaalsContact O-CB 3.29Å; V202-K206 WeakPolarHBondContact O-CB 3.36Å; V202-K206 PolarHBondContact O-N 3.34Å; V203-K206 WeakPolarHBondContact O-CB 3.42Å; V203-K206 PolarHBondContact O-N 2.84Å; A204-K206 VanDerWaalsContact C-N 3.3Å; A204-K206 PolarHBondContact O-N 2.98Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 3.02Å; K206-L210 HydrophobicContact CB-CD1 4.33Å; K206-L210 HydrophobicContact CG-CD1 4.15Å; K206-L210 WeakPolarHBondContact O-CD1 3.45Å; K206-L210 PolarHBondContact O-N 3.44Å; K206-P213 HydrophobicContact CD-CG 4.38Å; K206-P213 HydrophobicContact CG-CG 4.19Å |
| 207 | K | 82.5 | Confident | 78.3 | Confident | 172 Ų | 172 | 64.5 Ų | 64.5 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.5 | -24.6 | 176.6 | -69.4 | 178.5 | 179.4 | -178.4 | 0 | 112.8 | V203 A204 L205 | V203-K207 PolarHBondContact O-N 3.16Å; A204-K207 WeakPolarHBondContact O-CB 3.48Å; A204-K207 PolarHBondContact O-N 2.67Å; A204-K207 VanDerWaalsContact O-N 3.14Å; L205-K207 VanDerWaalsContact C-N 3.28Å; L205-K207 PolarHBondContact O-N 2.75Å |
| 208 | L | 81.7 | Confident | 78.3 | Confident | 53 Ų | 53 | 65.2 Ų | 65.2 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -83.1 | -40.9 | -177.1 | -170.3 | 113.7 | 0 | 0 | 0 | 112.5 | R179 L182 A204 L205 K206 | R179-L208 HydrophobicContact CG-CD1 3.79Å; R179-L208 HydrophobicContact CG-CD2 4.42Å; L182-L208 HydrophobicContact CD1-CD1 4.34Å; L182-L208 HydrophobicContact CD1-CD2 3.28Å; L182-L208 HydrophobicContact CD1-CG 3.5Å; L182-L208 HydrophobicContact CG-CD2 4.47Å; A204-L208 PolarHBondContact O-N 3.31Å; A204-L208 VanDerWaalsContact O-N 3.15Å; L205-L208 HydrophobicContact CD1-CD2 3.91Å; L205-L208 WeakPolarHBondContact O-CB 3.46Å; L205-L208 PolarHBondContact O-N 2.93Å; K206-L208 VanDerWaalsContact C-N 3.27Å; K206-L208 PolarHBondContact O-N 3.02Å |
| 209 | L | 84.4 | Confident | 77.7 | Confident | 5 Ų | 5 | 71.1 Ų | 71.1 | 3% | 0.026 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -100.3 | -24.6 | -172.1 | -64.8 | -179.4 | 0 | 0 | 0 | 115.1 | L161 A163 L182 Y189 L205 | L161-L209 HydrophobicContact CD2-CD2 4.27Å; A163-L209 HydrophobicContact CB-CD1 3.98Å; L182-L209 HydrophobicContact CD1-CD2 4.08Å; L182-L209 HydrophobicContact CD2-CD2 3.79Å; L182-L209 HydrophobicContact CG-CD2 4.07Å; Y189-L209 WeakPolarHBondContact CE2-O 3.5Å; Y189-L209 PolarHBondContact OH-O 3.08Å; Y189-L209 VanDerWaalsContact OH-O 3.14Å; L205-L209 HydrophobicContact CD1-CD1 3.71Å; L205-L209 HydrophobicContact CD1-CG 3.85Å; L205-L209 HydrophobicContact CD2-CD1 4.14Å; L205-L209 HydrophobicContact CG-CD1 3.78Å; L205-L209 HydrophobicContact CG-CG 4.18Å; L205-L209 PolarHBondContact O-N 3.16Å |
| 210 | L | 85.6 | Confident | 77.1 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | trans | -117.3 | 142.3 | -168.1 | -58 | 96.9 | 0 | 0 | 0 | 113 | D46 V48 A191 L193 K206 P213 | D46-L210 HydrophobicContact CB-CB 4.39Å; D46-L210 HydrophobicContact CB-CD2 4.2Å; D46-L210 WeakPolarHBondContact OD2-CA 3.17Å; V48-L210 HydrophobicContact CG2-CD1 4.43Å; V48-L210 HydrophobicContact CG2-CD2 3.71Å; A191-L210 HydrophobicContact CB-CB 4.39Å; A191-L210 HydrophobicContact CB-CD2 4.06Å; A191-L210 HydrophobicContact CB-CG 3.75Å; L193-L210 HydrophobicContact CB-CD1 4.03Å; L193-L210 HydrophobicContact CB-CD2 4.1Å; L193-L210 HydrophobicContact CD1-CD1 3.79Å; K206-L210 HydrophobicContact CB-CD1 4.33Å; K206-L210 HydrophobicContact CG-CD1 4.15Å; K206-L210 WeakPolarHBondContact O-CD1 3.45Å; K206-L210 PolarHBondContact O-N 3.44Å; L210-P213 HydrophobicContact CB-CB 3.9Å; L210-P213 HydrophobicContact CB-CG 3.86Å; L210-P213 HydrophobicContact CD2-CB 3.8Å; L210-P213 HydrophobicContact CD2-CG 4.48Å; L210-P213 HydrophobicContact CG-CB 4.46Å | ||
| 211 | H | 85.5 | Confident | 76.5 | Confident | 106 Ų | 106 | 64.4 Ų | 64.4 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -107.7 | 112.3 | 177.2 | -58.2 | 92.1 | 0 | 0 | 0 | 110.3 | D46 | D46-H211 PolarHBondContact OD2-N 3.29Š|
| 212 | N | 85.1 | Confident | 76.2 | Confident | 158 Ų | 158 | 61.3 Ų | 61.3 | 85% | 0.845 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 46.7 | 56 | -177.5 | -167.4 | 24.9 | 0 | 0 | 0 | 115.1 | ||
| 213 | P | 88.3 | Confident | 75.7 | Confident | 26 Ų | 26 | 61.3 Ų | 61.3 | 17% | 0.169 | 32% | 0.319 | C | S | . | . | trans | -75.1 | 139.4 | -173 | 29.6 | -37.1 | 0 | 0 | 0 | 114.2 | D46 V48 K206 L210 V215 | D46-P213 HydrophobicContact CB-CB 3.93Å; D46-P213 CarbonylContact O-C 3.55Å; D46-P213 WeakPolarHBondContact O-CA 3.36Å; V48-P213 HydrophobicContact CG2-CB 3.99Å; V48-P213 HydrophobicContact CG2-CG 4.42Å; K206-P213 HydrophobicContact CD-CG 4.38Å; K206-P213 HydrophobicContact CG-CG 4.19Å; L210-P213 HydrophobicContact CB-CB 3.9Å; L210-P213 HydrophobicContact CB-CG 3.86Å; L210-P213 HydrophobicContact CD2-CB 3.8Å; L210-P213 HydrophobicContact CD2-CG 4.48Å; L210-P213 HydrophobicContact CG-CB 4.46Å; P213-V215 PolarHBondContact O-N 3.11Å | ||
| 214 | V | 88.1 | Confident | 74.9 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.3 | 165.7 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | L40 R45 D46 V48 L216 | L40-V214 HydrophobicContact CD1-CG1 3.9Å; R45-V214 HydrophobicContact CB-CG2 4.27Å; D46-V214 PolarHBondContact O-N 2.89Å; V48-V214 PolarHBondContact N-O 3.32Å; V214-L216 HydrophobicContact CG1-CD2 4.45Å; V214-L216 PolarHBondContact O-N 3.37Å |
| 215 | V | 84.8 | Confident | 74.3 | Confident | 49 Ų | 49 | 60 Ų | 60 | 30% | 0.297 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 107 | 176.7 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | V48 P213 K217 | V48-V215 HydrophobicContact CB-CG1 4.33Å; V48-V215 HydrophobicContact CB-CG2 4.41Å; V48-V215 HydrophobicContact CG1-CG1 4.32Å; P213-V215 PolarHBondContact O-N 3.11Å; V215-K217 HydrophobicContact CG1-CG 3.84Å; V215-K217 PolarHBondContact O-N 3.38Å; V215-K217 VanDerWaalsContact O-N 3.13Å |
| 216 | L | 84 | Confident | 73.5 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 11% | 0.105 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 92.2 | 169.9 | -66 | 177.2 | 0 | 0 | 0 | 109 | I33 K36 A37 L40 V47 V48 R50 V214 L218 | I33-L216 HydrophobicContact CD1-CB 4.32Å; I33-L216 HydrophobicContact CD1-CD1 4.11Å; K36-L216 HydrophobicContact CB-CD1 4.4Å; K36-L216 HydrophobicContact CB-CD2 4.3Å; A37-L216 HydrophobicContact CB-CD1 3.54Å; L40-L216 HydrophobicContact CD1-CD1 4.13Å; L40-L216 HydrophobicContact CD1-CD2 3.69Å; L40-L216 HydrophobicContact CD1-CG 4.18Å; V47-L216 HydrophobicContact CG1-CD1 3.74Å; V47-L216 HydrophobicContact CG1-CG 4.23Å; V48-L216 PolarHBondContact O-N 2.95Å; R50-L216 PolarHBondContact N-O 3.32Å; R50-L216 VanDerWaalsContact N-O 3.16Å; V214-L216 HydrophobicContact CG1-CD2 4.45Å; V214-L216 PolarHBondContact O-N 3.37Å; L216-L218 PolarHBondContact O-N 2.87Å |
| 217 | K | 74 | Confident | 72.7 | Confident | 139 Ų | 139 | 63.4 Ų | 63.4 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 87.8 | 163 | -62.5 | -176.3 | -174.9 | 174.8 | 0 | 107.5 | V215 N219 | V215-K217 HydrophobicContact CG1-CG 3.84Å; V215-K217 PolarHBondContact O-N 3.38Å; V215-K217 VanDerWaalsContact O-N 3.13Å; K217-N219 PolarHBondContact O-N 3.18Å |
| 218 | L | 67.8 | Low | 72.2 | Confident | 32 Ų | 32 | 57 Ų | 57 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | trans | -70.2 | 127.1 | 168.6 | -61.1 | 175.9 | 0 | 0 | 0 | 107.5 | L32 I33 K36 L216 E220 | L32-L218 HydrophobicContact CB-CD1 4.41Å; L32-L218 HydrophobicContact CD2-CB 4.42Å; L32-L218 HydrophobicContact CD2-CD1 4.26Å; L32-L218 HydrophobicContact CD2-CD2 4Å; L32-L218 HydrophobicContact CD2-CG 4.46Å; L32-L218 HydrophobicContact CG-CD1 4.11Å; L32-L218 HydrophobicContact CG-CD2 3.96Å; I33-L218 HydrophobicContact CB-CD1 3.58Å; I33-L218 HydrophobicContact CD1-CD1 3.56Å; I33-L218 HydrophobicContact CD1-CG 4.26Å; I33-L218 HydrophobicContact CG1-CD1 4.14Å; K36-L218 HydrophobicContact CG-CD2 4.29Å; L216-L218 PolarHBondContact O-N 2.87Å; L218-E220 HydrophobicContact CB-CG 4.05Å; L218-E220 WeakPolarHBondContact CD1-OE1 3.42Å; L218-E220 PolarHBondContact O-N 3.42Å | ||
| 219 | N | 54.7 | Low | 72.2 | Confident | 173 Ų | 173 | 54.6 Ų | 54.6 | 93% | 0.925 | 30% | 0.304 | S | S | * | . | trans | -72.3 | 47.2 | 169.9 | -70.3 | -21.4 | 0 | 0 | 0 | 110.2 | K217 | K217-N219 PolarHBondContact O-N 3.18Š| ||
| 220 | E | 55.4 | Low | 72.3 | Confident | 51 Ų | 51 | 57.3 Ų | 57.3 | 24% | 0.238 | 32% | 0.318 | C | S | . | . | trans | -77 | 136.6 | 165.8 | -70 | 179.9 | -162.7 | 0 | 0 | 107.7 | L32 L218 Q222 | L32-E220 HydrophobicContact CD2-CG 4.18Å; L218-E220 HydrophobicContact CB-CG 4.05Å; L218-E220 WeakPolarHBondContact CD1-OE1 3.42Å; L218-E220 PolarHBondContact O-N 3.42Å; E220-Q222 PolarHBondContact O-N 2.89Å | ||
| 221 | S | 55.2 | Low | 72.4 | Confident | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 32% | 0.317 | C | S | . | . | trans | -51.4 | 137.2 | 163 | 51.4 | 0 | 0 | 0 | 0 | 108.8 | L223 | S221-L223 CarbonylContact C-O 3.56Å; S221-L223 WeakPolarHBondContact CB-O 3.25Å; S221-L223 PolarHBondContact O-N 3.28Å; S221-L223 VanDerWaalsContact O-O 3.1Å; S221-L223 PolarHBondContact OG-O 3.27Å | ||
| 222 | Q | 58.4 | Low | 72.7 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -59.7 | -16 | -178.6 | -70 | -177.5 | -30.9 | 0 | 0 | 112.9 | E220 V390 Q427 | E220-Q222 PolarHBondContact O-N 2.89Å; Q222-V390 HydrophobicContact CB-CG1 4.29Å; Q222-V390 HydrophobicContact CB-CG2 4.38Å; Q222-Q427 VanDerWaalsContact CB-OE1 3.28Å; Q222-Q427 VanDerWaalsContact CG-OE1 3.25Å |
| 223 | L | 61.1 | Low | 73 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -118.6 | 156.5 | 177 | -71.5 | 163.8 | 0 | 0 | 0 | 110.9 | S221 L229 Y389 V390 V393 L424 F433 | S221-L223 CarbonylContact C-O 3.56Å; S221-L223 WeakPolarHBondContact CB-O 3.25Å; S221-L223 PolarHBondContact O-N 3.28Å; S221-L223 VanDerWaalsContact O-O 3.1Å; S221-L223 PolarHBondContact OG-O 3.27Å; L223-L229 HydrophobicContact CB-CD2 4.35Å; L223-L229 HydrophobicContact CD2-CD2 4.14Å; L223-Y389 HydrophobicContact CD1-CD1 4.42Å; L223-Y389 HydrophobicContact CD1-CE1 4.05Å; L223-V390 HydrophobicContact CD1-CG2 4.42Å; L223-V390 HydrophobicContact CD2-CG1 4.35Å; L223-V390 HydrophobicContact CG-CG2 4.43Å; L223-V393 HydrophobicContact CD2-CB 4.11Å; L223-V393 HydrophobicContact CD2-CG1 3.94Å; L223-L424 HydrophobicContact CD1-CD1 3.83Å; L223-L424 HydrophobicContact CD1-CD2 3.9Å; L223-F433 HydrophobicContact CD1-CE1 4.42Å; L223-F433 HydrophobicContact CD1-CE2 3.96Å; L223-F433 HydrophobicContact CD1-CZ 3.37Å |
| 224 | P | 60.6 | Low | 73.2 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | trans | -51.5 | 157.4 | 170.1 | -20.3 | 29.5 | 0 | 0 | 0 | 112.5 | Q228 L229 A397 | P224-Q228 HydrophobicContact CB-CB 4.15Å; P224-L229 HydrophobicContact CB-CB 3.9Å; P224-L229 HydrophobicContact CG-CB 4.16Å; P224-L229 HydrophobicContact CG-CD2 4.19Å; P224-A397 HydrophobicContact CB-CB 4.27Å; P224-A397 HydrophobicContact CG-CB 3.94Å | ||
| 225 | S | 62.5 | Low | 73.3 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 45% | 0.448 | 28% | 0.279 | S | S | . | . | trans | -58.5 | 153.2 | 175.2 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | A227 Q228 L229 | S225-A227 PolarHBondContact O-N 3.06Å; S225-Q228 PolarHBondContact O-N 3.47Å; S225-L229 PolarHBondContact O-N 2.95Å | ||
| 226 | S | 62.7 | Low | 73.5 | Confident | 54 Ų | 54 | 47.9 Ų | 47.9 | 38% | 0.378 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.5 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | E430 | S226-E430 WeakPolarHBondContact CB-OE2 3.38Å; S226-E430 VanDerWaalsContact OG-CD 3.28Å; S226-E430 PolarHBondContact OG-OE1 2.9Å; S226-E430 PolarHBondContact OG-OE2 2.52Å |
| 227 | A | 63.4 | Low | 73.8 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 62% | 0.62 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S225 | S225-A227 PolarHBondContact O-N 3.06Š|
| 228 | Q | 72.7 | Confident | 74.5 | Confident | 37 Ų | 37 | 47 Ų | 47 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -33.8 | -178.2 | -164 | -178.9 | -4 | 0 | 0 | 112.5 | P224 S225 A397 A399 N401 Q402 G403 | P224-Q228 HydrophobicContact CB-CB 4.15Å; S225-Q228 PolarHBondContact O-N 3.47Å; Q228-A397 HydrophobicContact CG-CB 3.98Å; Q228-A397 VanDerWaalsContact NE2-C 3.35Å; Q228-A397 PolarHBondContact NE2-O 3.43Å; Q228-A397 VanDerWaalsContact NE2-O 3.08Å; Q228-A397 WeakPolarHBondContact O-CB 3.44Å; Q228-A399 PolarHBondContact NE2-O 3.43Å; Q228-N401 WeakPolarHBondContact CG-O 3.47Å; Q228-N401 PolarHBondContact NE2-O 3.46Å; Q228-Q402 CarbonylContact O-C 3.55Å; Q228-Q402 VanDerWaalsContact O-CA 3.3Å; Q228-Q402 WeakPolarHBondContact O-CA 3.48Å; Q228-G403 PolarHBondContact O-N 3.32Å |
| 229 | L | 82.2 | Confident | 75.4 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.6 | -176.8 | 177.5 | 69 | 0 | 0 | 0 | 111.1 | L223 P224 S225 Q231 V393 T396 A397 G403 A405 | L223-L229 HydrophobicContact CB-CD2 4.35Å; L223-L229 HydrophobicContact CD2-CD2 4.14Å; P224-L229 HydrophobicContact CB-CB 3.9Å; P224-L229 HydrophobicContact CG-CB 4.16Å; P224-L229 HydrophobicContact CG-CD2 4.19Å; S225-L229 PolarHBondContact O-N 2.95Å; L229-Q231 HydrophobicContact CD1-CG 4.43Å; L229-Q231 HydrophobicContact CD2-CG 3.96Å; L229-Q231 HydrophobicContact CG-CG 3.77Å; L229-V393 HydrophobicContact CD1-CG1 3.89Å; L229-V393 HydrophobicContact CD2-CG1 3.36Å; L229-V393 HydrophobicContact CG-CG1 4.17Å; L229-T396 HydrophobicContact CD1-CG2 3.64Å; L229-A397 HydrophobicContact CB-CB 3.74Å; L229-A397 HydrophobicContact CD1-CB 3.88Å; L229-A397 HydrophobicContact CG-CB 4.35Å; L229-G403 WeakPolarHBondContact CA-O 3.34Å; L229-A405 HydrophobicContact CD1-CB 4.29Å |
| 230 | I | 85.3 | Confident | 77 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.5 | 174.9 | -55.8 | 173.7 | 0 | 0 | 0 | 109 | Y232 G403 T404 A405 | I230-Y232 HydrophobicContact CG2-CD2 4.16Å; I230-Y232 HydrophobicContact CG2-CE1 4.36Å; I230-Y232 HydrophobicContact CG2-CE2 3.49Å; I230-Y232 VanDerWaalsContact CG2-CE2 3.49Å; I230-G403 PolarHBondContact N-O 3.12Å; I230-T404 CarbonylContact O-C 3.6Å; I230-T404 WeakPolarHBondContact O-CA 3.47Å; I230-A405 PolarHBondContact O-N 2.88Å |
| 231 | Q | 88.8 | Confident | 78.8 | Confident | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.037 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.4 | -174.6 | -56.1 | 177.3 | 67 | 0 | 0 | 111.1 | L229 Y389 A405 L434 K435 | L229-Q231 HydrophobicContact CD1-CG 4.43Å; L229-Q231 HydrophobicContact CD2-CG 3.96Å; L229-Q231 HydrophobicContact CG-CG 3.77Å; Q231-Y389 PolarHBondContact OE1-OH 3.42Å; Q231-A405 CarbonylContact C-O 3.48Å; Q231-A405 WeakPolarHBondContact CA-O 3.41Å; Q231-A405 HydrophobicContact CG-CB 4.09Å; Q231-L434 HydrophobicContact CB-CD1 4.13Å; Q231-K435 PolarHBondContact O-N 2.71Å |
| 232 | Y | 91 | Very high | 80.6 | Confident | 65 Ų | 65 | 38.4 Ų | 38.4 | 26% | 0.255 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.2 | -180 | -69.1 | -66.4 | 0 | 0 | 0 | 111.7 | I230 T404 A405 S407 K435 Y437 | I230-Y232 HydrophobicContact CG2-CD2 4.16Å; I230-Y232 HydrophobicContact CG2-CE1 4.36Å; I230-Y232 HydrophobicContact CG2-CE2 3.49Å; I230-Y232 VanDerWaalsContact CG2-CE2 3.49Å; Y232-T404 HydrophobicContact CD2-CG2 3.79Å; Y232-T404 HydrophobicContact CE2-CG2 3.95Å; Y232-A405 PolarHBondContact N-O 3.5Å; Y232-S407 PolarHBondContact O-N 3.4Å; Y232-K435 CarbonylContact C-O 3.59Å; Y232-K435 VanDerWaalsContact CA-O 3.3Å; Y232-K435 WeakPolarHBondContact CA-O 3.48Å; Y232-K435 HydrophobicContact CD1-CB 3.93Å; Y232-K435 HydrophobicContact CE1-CB 4.14Å; Y232-K435 HydrophobicContact CE1-CD 4.47Å; Y232-Y437 AromaticContact CD1-CD2 3.78Å; Y232-Y437 HydrophobicContact CD1-CD2 3.78Å; Y232-Y437 HydrophobicContact CD1-CG 4.39Å; Y232-Y437 HydrophobicContact CE1-CD2 4.03Å; Y232-Y437 HydrophobicContact CG-CD2 4.12Å |
| 233 | H | 91.9 | Very high | 82 | Confident | 12 Ų | 12 | 36.1 Ų | 36.1 | 6% | 0.056 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.3 | 175.9 | 169.7 | -119.6 | 0 | 0 | 0 | 111.8 | S235 S407 S409 L434 K435 P436 Y437 | H233-S235 PolarHBondContact CE1-OG 3.31Å; H233-S407 WeakPolarHBondContact CA-O 3.48Å; H233-S407 PolarHBondContact CD2-O 2.9Å; H233-S409 PolarHBondContact NE2-OG 3.22Å; H233-L434 HydrophobicContact CB-CD1 3.94Å; H233-L434 HydrophobicContact CB-CD2 3.39Å; H233-L434 HydrophobicContact CB-CG 3.39Å; H233-K435 PolarHBondContact N-O 2.93Å; H233-P436 WeakPolarHBondContact O-CA 3.47Å; H233-Y437 PolarHBondContact O-N 3.49Å |
| 234 | V | 91.7 | Very high | 83.4 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.024 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118 | 178.6 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | C236 I244 L406 S407 F408 S409 Y437 I439 | V234-C236 HydrophobicContact CG1-CB 4.28Å; V234-I244 HydrophobicContact CG1-CD1 3.9Å; V234-L406 HydrophobicContact CG2-CD1 3.74Å; V234-S407 PolarHBondContact N-O 2.97Å; V234-F408 HydrophobicContact CB-CD1 3.86Å; V234-F408 HydrophobicContact CB-CE1 4.06Å; V234-F408 HydrophobicContact CG1-CD1 3.95Å; V234-F408 HydrophobicContact CG1-CE1 3.99Å; V234-F408 HydrophobicContact CG2-CE1 4.38Å; V234-F408 CarbonylContact O-C 3.55Å; V234-F408 WeakPolarHBondContact O-CA 3.41Å; V234-S409 PolarHBondContact O-N 3.41Å; V234-Y437 HydrophobicContact CG2-CD1 4.08Å; V234-Y437 HydrophobicContact CG2-CG 4.37Å; V234-I439 HydrophobicContact CG1-CD1 4.5Å |
| 235 | S | 90.7 | Very high | 85 | Confident | 87 Ų | 87 | 35.4 Ų | 35.4 | 61% | 0.608 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.7 | 170.8 | -59.3 | 0 | 0 | 0 | 0 | 108.8 | H233 S409 | H233-S235 PolarHBondContact CE1-OG 3.31Å; S235-S409 WeakPolarHBondContact CA-O 3.35Å |
| 236 | C | 89.7 | Confident | 86.2 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 12% | 0.115 | 19% | 0.186 | C | C | . | . | trans | -157.7 | 171.2 | -178.1 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | V234 E240 K241 I244 S409 T410 | V234-C236 HydrophobicContact CG1-CB 4.28Å; C236-E240 HydrophobicContact CB-CB 3.81Å; C236-K241 VanDerWaalsContact SG-CG 3.53Å; C236-I244 HydrophobicContact CB-CD1 3.89Å; C236-S409 PolarHBondContact N-O 2.79Å; C236-T410 WeakPolarHBondContact O-CA 3.36Å | ||
| 237 | T | 89.7 | Confident | 87.3 | Confident | 70 Ų | 70 | 30 Ų | 30 | 43% | 0.429 | 17% | 0.169 | S | C | . | . | trans | -76.3 | 165.6 | 173.9 | 64.3 | 0 | 0 | 0 | 0 | 112.1 | E239 E240 K241 | T237-E239 VanDerWaalsContact C-N 3.28Å; T237-E239 PolarHBondContact O-N 3.24Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.42Å; T237-E240 PolarHBondContact N-OE2 3.43Å; T237-E240 PolarHBondContact O-N 2.96Å; T237-E240 VanDerWaalsContact O-N 3.17Å; T237-E240 WeakPolarHBondContact OG1-CG 3.32Å; T237-E240 PolarHBondContact OG1-OE2 2.82Å; T237-K241 PolarHBondContact O-N 3.03Å; T237-K241 VanDerWaalsContact O-N 3.14Å | ||
| 238 | E | 88.9 | Confident | 88.5 | Confident | 69 Ų | 69 | 26.9 Ų | 26.9 | 32% | 0.322 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56.9 | -39.3 | -179.5 | -84 | -64.6 | 115.2 | 0 | 0 | 113.3 | K241 F242 R267 T410 | E238-K241 WeakPolarHBondContact OE1-CE 3.16Å; E238-K241 IonicContact OE1-NZ 2.81Å; E238-K241 PolarHBondContact OE1-NZ 3.28Å; E238-F242 WeakPolarHBondContact O-CD2 3.3Å; E238-R267 IonicContact OE1-NH2 2.62Å; E238-R267 IonicContact OE2-CZ 2.66Å; E238-R267 IonicContact OE2-NH1 2.71Å; E238-R267 PolarHBondContact OE2-NH1 3.18Å; E238-R267 IonicContact OE2-NH2 2.86Å; E238-R267 PolarHBondContact OE2-NH2 3.22Å; E238-T410 HydrophobicContact CG-CG2 4.05Å; E238-T410 WeakPolarHBondContact OE1-CG2 3.08Å |
| 239 | E | 87 | Confident | 89.2 | Confident | 81 Ų | 81 | 26.5 Ų | 26.5 | 38% | 0.379 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -71 | -39.4 | 178.9 | -69 | 178.1 | 179.6 | 0 | 0 | 111.9 | T237 K241 F242 V243 L452 L455 | T237-E239 VanDerWaalsContact C-N 3.28Å; T237-E239 PolarHBondContact O-N 3.24Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 3.47Å; E239-F242 WeakPolarHBondContact O-CB 3.45Å; E239-F242 PolarHBondContact O-N 3.41Å; E239-F242 VanDerWaalsContact O-N 3.16Å; E239-V243 WeakPolarHBondContact O-CG2 3.4Å; E239-V243 PolarHBondContact O-N 3.19Å; E239-L452 HydrophobicContact CB-CD2 3.74Å; E239-L452 HydrophobicContact CG-CD2 3.97Å; E239-L452 WeakPolarHBondContact OE2-CD2 3.44Å; E239-L455 HydrophobicContact CG-CD2 4.3Å |
| 240 | E | 88 | Confident | 89 | Confident | 26 Ų | 26 | 29.3 Ų | 29.3 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -30.2 | -179.1 | -68.1 | 171.6 | 160 | 0 | 0 | 112.1 | C236 T237 F242 V243 I244 M441 R448 | C236-E240 HydrophobicContact CB-CB 3.81Å; T237-E240 WeakPolarHBondContact CG2-OE2 3.42Å; T237-E240 PolarHBondContact N-OE2 3.43Å; T237-E240 PolarHBondContact O-N 2.96Å; T237-E240 VanDerWaalsContact O-N 3.17Å; T237-E240 WeakPolarHBondContact OG1-CG 3.32Å; T237-E240 PolarHBondContact OG1-OE2 2.82Å; E240-F242 VanDerWaalsContact C-N 3.26Å; E240-F242 PolarHBondContact O-N 2.87Å; E240-V243 PolarHBondContact O-N 3.42Å; E240-I244 HydrophobicContact CB-CD1 4.21Å; E240-I244 VanDerWaalsContact O-CB 3.31Å; E240-I244 WeakPolarHBondContact O-CB 3.25Å; E240-I244 WeakPolarHBondContact O-CD1 3.36Å; E240-I244 WeakPolarHBondContact O-CG1 3.23Å; E240-I244 PolarHBondContact O-N 3.28Å; E240-M441 HydrophobicContact CB-CE 4.06Å; E240-M441 HydrophobicContact CB-SD 4.17Å; E240-M441 HydrophobicContact CG-CE 3.47Å; E240-M441 VanDerWaalsContact CG-CE 3.47Å; E240-M441 HydrophobicContact CG-SD 4.03Å; E240-R448 IonicContact OE1-CZ 3.74Å; E240-R448 IonicContact OE1-NH1 2.71Å; E240-R448 PolarHBondContact OE1-NH1 3.27Å; E240-R448 IonicContact OE1-NH2 3.74Å; E240-R448 PolarHBondContact OE1-NH2 3Å |
| 241 | K | 93.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52 | -46.2 | 171.1 | -67.9 | -179.6 | 172.9 | 175.7 | 0 | 111.9 | C236 T237 E238 E239 L245 F380 D381 F408 D413 | C236-K241 VanDerWaalsContact SG-CG 3.53Å; T237-K241 PolarHBondContact O-N 3.03Å; T237-K241 VanDerWaalsContact O-N 3.14Å; E238-K241 WeakPolarHBondContact OE1-CE 3.16Å; E238-K241 IonicContact OE1-NZ 2.81Å; E238-K241 PolarHBondContact OE1-NZ 3.28Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 PolarHBondContact O-N 3.47Å; K241-L245 WeakPolarHBondContact O-CB 3.39Å; K241-L245 PolarHBondContact O-N 3Å; K241-F380 HydrophobicContact CB-CD2 4.32Å; K241-F380 HydrophobicContact CB-CE1 4.29Å; K241-F380 HydrophobicContact CB-CE2 3.56Å; K241-F380 HydrophobicContact CB-CZ 3.54Å; K241-F380 HydrophobicContact CD-CE1 4.24Å; K241-F380 HydrophobicContact CD-CZ 4.31Å; K241-F380 WeakPolarHBondContact CD-O 3.29Å; K241-F380 WeakPolarHBondContact CE-O 3.34Å; K241-F380 PolarHBondContact NZ-O 2.96Å; K241-D381 IonicContact NZ-OD1 2.85Å; K241-F408 HydrophobicContact CB-CD1 4.38Å; K241-F408 HydrophobicContact CD-CB 4.17Å; K241-F408 HydrophobicContact CG-CB 4.05Å; K241-F408 HydrophobicContact CG-CD1 4.06Å; K241-F408 HydrophobicContact CG-CG 4.24Å; K241-D413 IonicContact NZ-OD2 3.19Å |
| 242 | F | 92.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -45.3 | 179.5 | -69.5 | -88.9 | 0 | 0 | 0 | 111.3 | E238 E239 E240 C246 K270 L271 F274 F380 L455 | E238-F242 WeakPolarHBondContact O-CD2 3.3Å; E239-F242 WeakPolarHBondContact O-CB 3.45Å; E239-F242 PolarHBondContact O-N 3.41Å; E239-F242 VanDerWaalsContact O-N 3.16Å; E240-F242 VanDerWaalsContact C-N 3.26Å; E240-F242 PolarHBondContact O-N 2.87Å; F242-C246 VanDerWaalsContact O-CB 3.23Å; F242-C246 WeakPolarHBondContact O-CB 3.29Å; F242-C246 PolarHBondContact O-N 3.36Å; F242-K270 HydrophobicContact CE1-CG 4.34Å; F242-K270 HydrophobicContact CZ-CD 4.12Å; F242-K270 HydrophobicContact CZ-CG 4.35Å; F242-L271 HydrophobicContact CD1-CD1 4Å; F242-L271 HydrophobicContact CE1-CB 4.49Å; F242-L271 HydrophobicContact CE1-CD1 4.06Å; F242-F274 HydrophobicContact CB-CD1 4.25Å; F242-F274 HydrophobicContact CB-CE1 3.75Å; F242-F274 HydrophobicContact CB-CE2 4.21Å; F242-F274 HydrophobicContact CB-CZ 3.74Å; F242-F274 HydrophobicContact CD1-CB 4.34Å; F242-F274 AromaticContact CD1-CD1 3.7Å; F242-F274 HydrophobicContact CD1-CD1 3.7Å; F242-F274 HydrophobicContact CD1-CD2 4.44Å; F242-F274 HydrophobicContact CD1-CE1 4.08Å; F242-F274 AromaticContact CD1-CG 3.89Å; F242-F274 HydrophobicContact CD1-CG 3.89Å; F242-F274 HydrophobicContact CG-CD1 4.47Å; F242-F274 HydrophobicContact CG-CE1 4.43Å; F242-F274 VanDerWaalsContact O-CE1 3.29Å; F242-F274 WeakPolarHBondContact O-CE1 3.31Å; F242-F380 AromaticContact CD1-CZ 3.95Å; F242-F380 HydrophobicContact CD1-CZ 3.95Å; F242-F380 AromaticContact CD2-CZ 3.85Å; F242-F380 HydrophobicContact CD2-CZ 3.85Å; F242-F380 HydrophobicContact CE1-CE1 4.32Å; F242-F380 AromaticContact CE1-CZ 3.85Å; F242-F380 HydrophobicContact CE1-CZ 3.85Å; F242-F380 HydrophobicContact CE2-CE1 4.09Å; F242-F380 AromaticContact CE2-CZ 3.72Å; F242-F380 HydrophobicContact CE2-CZ 3.72Å; F242-F380 AromaticContact CG-CZ 3.95Å; F242-F380 HydrophobicContact CG-CZ 3.95Å; F242-F380 AromaticContact CZ-CE1 3.9Å; F242-F380 HydrophobicContact CZ-CE1 3.9Å; F242-F380 AromaticContact CZ-CZ 3.71Å; F242-F380 HydrophobicContact CZ-CZ 3.71Å; F242-L455 HydrophobicContact CB-CD1 4.43Å; F242-L455 HydrophobicContact CB-CD2 4.47Å; F242-L455 HydrophobicContact CD1-CD1 3.6Å; F242-L455 HydrophobicContact CD2-CD1 3.85Å; F242-L455 HydrophobicContact CD2-CD2 3.85Å; F242-L455 HydrophobicContact CE1-CD1 3.7Å; F242-L455 HydrophobicContact CE2-CD1 3.97Å; F242-L455 HydrophobicContact CE2-CD2 4.35Å; F242-L455 HydrophobicContact CG-CD1 3.69Å; F242-L455 HydrophobicContact CG-CD2 4.16Å; F242-L455 HydrophobicContact CZ-CD1 3.9Å |
| 243 | V | 88.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -52.3 | -179 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | E239 E240 C246 A247 M441 L444 F447 R448 C451 | E239-V243 WeakPolarHBondContact O-CG2 3.4Å; E239-V243 PolarHBondContact O-N 3.19Å; E240-V243 PolarHBondContact O-N 3.42Å; V243-C246 PolarHBondContact O-N 2.94Å; V243-A247 WeakPolarHBondContact O-CB 3.48Å; V243-A247 PolarHBondContact O-N 2.93Å; V243-M441 HydrophobicContact CG1-CE 4.46Å; V243-L444 HydrophobicContact CG1-CB 4.42Å; V243-F447 HydrophobicContact CG1-CD1 4.5Å; V243-R448 HydrophobicContact CG1-CB 3.92Å; V243-R448 HydrophobicContact CG1-CG 4.18Å; V243-R448 HydrophobicContact CG2-CB 4.37Å; V243-R448 HydrophobicContact CG2-CG 3.84Å; V243-C451 HydrophobicContact CB-CB 4.23Å; V243-C451 HydrophobicContact CG1-CB 4.44Å; V243-C451 HydrophobicContact CG2-CB 3.64Å |
| 244 | I | 90.6 | Very high | 87.6 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -49 | -177.6 | -69.6 | 165.1 | 0 | 0 | 0 | 110.5 | V234 C236 E240 C246 A247 M248 F408 I439 M441 L444 | V234-I244 HydrophobicContact CG1-CD1 3.9Å; C236-I244 HydrophobicContact CB-CD1 3.89Å; E240-I244 HydrophobicContact CB-CD1 4.21Å; E240-I244 VanDerWaalsContact O-CB 3.31Å; E240-I244 WeakPolarHBondContact O-CB 3.25Å; E240-I244 WeakPolarHBondContact O-CD1 3.36Å; E240-I244 WeakPolarHBondContact O-CG1 3.23Å; E240-I244 PolarHBondContact O-N 3.28Å; I244-C246 VanDerWaalsContact C-N 3.31Å; I244-C246 PolarHBondContact O-N 3.32Å; I244-A247 PolarHBondContact O-N 3.31Å; I244-M248 HydrophobicContact CG2-CE 3.72Å; I244-M248 HydrophobicContact CG2-CG 4.38Å; I244-M248 HydrophobicContact CG2-SD 3.96Å; I244-M248 VanDerWaalsContact O-CG 3.3Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 3.02Å; I244-F408 HydrophobicContact CB-CE1 3.93Å; I244-F408 HydrophobicContact CB-CZ 4.37Å; I244-F408 HydrophobicContact CD1-CE1 4.44Å; I244-F408 HydrophobicContact CG2-CE1 3.54Å; I244-F408 HydrophobicContact CG2-CZ 3.78Å; I244-I439 HydrophobicContact CB-CD1 4.17Å; I244-I439 HydrophobicContact CD1-CD1 4.12Å; I244-I439 HydrophobicContact CG1-CD1 3.96Å; I244-I439 HydrophobicContact CG2-CD1 3.18Å; I244-M441 HydrophobicContact CD1-SD 3.94Å; I244-M441 HydrophobicContact CG1-SD 3.99Å; I244-L444 HydrophobicContact CG1-CD1 4.17Å |
| 245 | L | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 179.7 | -178.6 | 69.7 | 0 | 0 | 0 | 111.2 | K241 A247 M248 F249 I254 I260 L271 I378 F380 F408 | K241-L245 WeakPolarHBondContact O-CB 3.39Å; K241-L245 PolarHBondContact O-N 3Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.22Å; L245-M248 PolarHBondContact O-N 2.91Å; L245-F249 HydrophobicContact CD1-CD2 4.19Å; L245-F249 HydrophobicContact CD1-CE2 3.69Å; L245-F249 HydrophobicContact CD2-CE2 4.36Å; L245-F249 HydrophobicContact CG-CD2 4.06Å; L245-F249 HydrophobicContact CG-CE2 3.84Å; L245-F249 VanDerWaalsContact O-CD2 3.29Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.35Å; L245-F249 VanDerWaalsContact O-N 3.12Å; L245-I254 HydrophobicContact CD1-CD1 4.14Å; L245-I260 HydrophobicContact CD2-CD1 4.13Å; L245-L271 HydrophobicContact CD2-CD1 3.79Å; L245-L271 HydrophobicContact CD2-CD2 4.07Å; L245-I378 HydrophobicContact CD1-CD1 3.76Å; L245-I378 HydrophobicContact CD1-CG2 4.01Å; L245-F380 HydrophobicContact CB-CE2 4.47Å; L245-F380 HydrophobicContact CD2-CD2 3.79Å; L245-F380 HydrophobicContact CD2-CE2 3.96Å; L245-F408 HydrophobicContact CB-CZ 4.25Å; L245-F408 HydrophobicContact CD1-CE2 4.29Å |
| 246 | C | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.3 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | F242 V243 I244 M248 F249 K250 F274 F278 F447 | F242-C246 VanDerWaalsContact O-CB 3.23Å; F242-C246 WeakPolarHBondContact O-CB 3.29Å; F242-C246 PolarHBondContact O-N 3.36Å; V243-C246 PolarHBondContact O-N 2.94Å; I244-C246 VanDerWaalsContact C-N 3.31Å; I244-C246 PolarHBondContact O-N 3.32Å; C246-M248 VanDerWaalsContact C-N 3.35Å; C246-M248 PolarHBondContact O-N 3.45Å; C246-F249 PolarHBondContact O-N 3.13Å; C246-K250 WeakPolarHBondContact O-CB 3.08Å; C246-K250 WeakPolarHBondContact O-CG 3.48Å; C246-K250 PolarHBondContact O-N 3.05Å; C246-F274 HydrophobicContact CB-CE1 3.81Å; C246-F274 HydrophobicContact CB-CZ 3.95Å; C246-F278 VanDerWaalsContact SG-CB 3.55Å; C246-F278 WeakPolarHBondContact SG-CD2 3.42Å; C246-F278 WeakPolarHBondContact SG-CG 3.49Å; C246-F447 HydrophobicContact CB-CE1 3.94Å; C246-F447 HydrophobicContact CB-CZ 4.18Å; C246-F447 VanDerWaalsContact SG-CZ 3.56Å |
| 247 | A | 84.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V243 I244 L245 F249 K250 L251 L444 F447 | V243-A247 WeakPolarHBondContact O-CB 3.48Å; V243-A247 PolarHBondContact O-N 2.93Å; I244-A247 PolarHBondContact O-N 3.31Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 3.22Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.02Å; A247-K250 PolarHBondContact O-N 3.38Å; A247-L251 HydrophobicContact CB-CD1 4.32Å; A247-L251 WeakPolarHBondContact O-CB 3.45Å; A247-L251 WeakPolarHBondContact O-CD1 3.16Å; A247-L251 WeakPolarHBondContact O-CG 3.34Å; A247-L251 PolarHBondContact O-N 2.93Å; A247-L444 HydrophobicContact CB-CD1 4.34Å; A247-L444 HydrophobicContact CB-CD2 3.43Å; A247-L444 VanDerWaalsContact CB-CD2 3.43Å; A247-F447 HydrophobicContact CB-CD1 4.06Å; A247-F447 HydrophobicContact CB-CE1 3.98Å |
| 248 | M | 88.4 | Confident | 87.1 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -38.4 | 177.7 | -72.3 | 174.3 | 167.1 | 0 | 0 | 113.3 | I244 L245 C246 K252 L253 I254 L406 F408 Y437 I439 | I244-M248 HydrophobicContact CG2-CE 3.72Å; I244-M248 HydrophobicContact CG2-CG 4.38Å; I244-M248 HydrophobicContact CG2-SD 3.96Å; I244-M248 VanDerWaalsContact O-CG 3.3Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 3.02Å; L245-M248 PolarHBondContact O-N 2.91Å; C246-M248 VanDerWaalsContact C-N 3.35Å; C246-M248 PolarHBondContact O-N 3.45Å; M248-K252 PolarHBondContact O-N 3.41Å; M248-L253 HydrophobicContact CB-CB 4.34Å; M248-L253 HydrophobicContact CG-CD1 4.15Å; M248-L253 PolarHBondContact O-N 3.18Å; M248-I254 HydrophobicContact CB-CD1 3.5Å; M248-I254 VanDerWaalsContact CB-CD1 3.5Å; M248-I254 HydrophobicContact CB-CG1 3.96Å; M248-I254 HydrophobicContact CG-CD1 4.38Å; M248-I254 PolarHBondContact O-N 3.25Å; M248-I254 HydrophobicContact SD-CD1 4.06Å; M248-L406 HydrophobicContact CE-CD1 4.3Å; M248-L406 HydrophobicContact CE-CD2 3.87Å; M248-L406 HydrophobicContact SD-CD2 3.35Å; M248-L406 WeakPolarHBondContact SD-CD2 3.34Å; M248-F408 HydrophobicContact SD-CZ 4.44Å; M248-Y437 HydrophobicContact CE-CD1 3.71Å; M248-Y437 HydrophobicContact CE-CE1 3.43Å; M248-Y437 VanDerWaalsContact CE-CE1 3.43Å; M248-I439 HydrophobicContact CE-CD1 3.74Å |
| 249 | F | 87.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.7 | -44.9 | 173.3 | -80.1 | -62.6 | 0 | 0 | 0 | 112.1 | L245 C246 A247 K252 I254 I260 L275 V280 V308 I378 | L245-F249 HydrophobicContact CD1-CD2 4.19Å; L245-F249 HydrophobicContact CD1-CE2 3.69Å; L245-F249 HydrophobicContact CD2-CE2 4.36Å; L245-F249 HydrophobicContact CG-CD2 4.06Å; L245-F249 HydrophobicContact CG-CE2 3.84Å; L245-F249 VanDerWaalsContact O-CD2 3.29Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; L245-F249 PolarHBondContact O-N 3.35Å; L245-F249 VanDerWaalsContact O-N 3.12Å; C246-F249 PolarHBondContact O-N 3.13Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.02Å; F249-K252 PolarHBondContact O-N 3.21Å; F249-K252 VanDerWaalsContact O-N 3.12Å; F249-I254 HydrophobicContact CD1-CB 4.28Å; F249-I254 HydrophobicContact CD1-CG2 4.35Å; F249-I254 HydrophobicContact CE1-CB 4.2Å; F249-I254 HydrophobicContact CE1-CD1 4.43Å; F249-I254 HydrophobicContact CE1-CG2 3.8Å; F249-I254 HydrophobicContact CE2-CD1 4.42Å; F249-I254 HydrophobicContact CZ-CD1 4.34Å; F249-I254 HydrophobicContact CZ-CG2 4.37Å; F249-I260 HydrophobicContact CE2-CD1 4.01Å; F249-I260 HydrophobicContact CZ-CD1 4.08Å; F249-L275 HydrophobicContact CD2-CD2 4.25Å; F249-V280 HydrophobicContact CB-CG2 3.84Å; F249-V280 HydrophobicContact CD1-CG1 4.44Å; F249-V280 HydrophobicContact CD2-CG1 4.25Å; F249-V280 HydrophobicContact CG-CG1 4.2Å; F249-V280 HydrophobicContact CG-CG2 4.31Å; F249-V308 HydrophobicContact CE1-CG2 3.74Å; F249-V308 HydrophobicContact CZ-CG1 4.21Å; F249-V308 HydrophobicContact CZ-CG2 3.88Å; F249-I378 HydrophobicContact CZ-CD1 4.2Å |
| 250 | K | 79.7 | Confident | 87.6 | Confident | 63 Ų | 63 | 29.6 Ų | 29.6 | 27% | 0.274 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -67.2 | -38.6 | -178.8 | -77.4 | -62.9 | -160 | 175.8 | 0 | 113.3 | C246 A247 K252 F278 F447 K511 I519 | C246-K250 WeakPolarHBondContact O-CB 3.08Å; C246-K250 WeakPolarHBondContact O-CG 3.48Å; C246-K250 PolarHBondContact O-N 3.05Å; A247-K250 PolarHBondContact O-N 3.38Å; K250-K252 PolarHBondContact O-N 2.98Å; K250-F278 WeakPolarHBondContact CE-O 3.37Å; K250-F278 PolarHBondContact NZ-O 3.03Å; K250-F447 HydrophobicContact CG-CZ 4.31Å; K250-K511 PolarHBondContact NZ-O 3.42Å; K250-I519 HydrophobicContact CB-CD1 4.05Å |
| 251 | L | 79.9 | Confident | 87.9 | Confident | 17 Ų | 17 | 28.4 Ų | 28.4 | 9% | 0.089 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -1.8 | 174.2 | -67.6 | 167.8 | 0 | 0 | 0 | 112.8 | A247 L253 I519 L522 M523 F526 | A247-L251 HydrophobicContact CB-CD1 4.32Å; A247-L251 WeakPolarHBondContact O-CB 3.45Å; A247-L251 WeakPolarHBondContact O-CD1 3.16Å; A247-L251 WeakPolarHBondContact O-CG 3.34Å; A247-L251 PolarHBondContact O-N 2.93Å; L251-L253 HydrophobicContact CB-CD1 4.23Å; L251-L253 HydrophobicContact CB-CG 3.85Å; L251-L253 HydrophobicContact CD1-CD1 4.18Å; L251-L253 PolarHBondContact O-N 3.18Å; L251-I519 HydrophobicContact CD2-CB 4.3Å; L251-I519 HydrophobicContact CD2-CG2 3.36Å; L251-I519 WeakPolarHBondContact CD2-O 3.5Å; L251-I519 HydrophobicContact CG-CG2 4.06Å; L251-L522 HydrophobicContact CD1-CB 4.21Å; L251-L522 HydrophobicContact CD1-CD1 4.11Å; L251-L522 HydrophobicContact CD2-CB 3.93Å; L251-M523 HydrophobicContact CD2-CG 4.24Å; L251-F526 HydrophobicContact CD1-CE2 4.42Å |
| 252 | K | 79.1 | Confident | 87.9 | Confident | 153 Ų | 153 | 28.4 Ų | 28.4 | 67% | 0.665 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.3 | -176.5 | -55.3 | 177.5 | 179.1 | 175.4 | 0 | 112.9 | M248 F249 K250 K255 | M248-K252 PolarHBondContact O-N 3.41Å; F249-K252 PolarHBondContact O-N 3.21Å; F249-K252 VanDerWaalsContact O-N 3.12Å; K250-K252 PolarHBondContact O-N 2.98Å; K252-K255 WeakPolarHBondContact O-CE 3.3Å; K252-K255 VanDerWaalsContact O-CG 3.31Å; K252-K255 WeakPolarHBondContact O-CG 3.17Å |
| 253 | L | 82.5 | Confident | 87.7 | Confident | 67 Ų | 67 | 30.7 Ų | 30.7 | 35% | 0.351 | 15% | 0.154 | S | C | . | . | trans | -72.3 | -39.5 | 173.1 | -63.9 | 178.1 | 0 | 0 | 0 | 110.4 | M248 L251 | M248-L253 HydrophobicContact CB-CB 4.34Å; M248-L253 HydrophobicContact CG-CD1 4.15Å; M248-L253 PolarHBondContact O-N 3.18Å; L251-L253 HydrophobicContact CB-CD1 4.23Å; L251-L253 HydrophobicContact CB-CG 3.85Å; L251-L253 HydrophobicContact CD1-CD1 4.18Å; L251-L253 PolarHBondContact O-N 3.18Å | ||
| 254 | I | 85.4 | Confident | 87.6 | Confident | 23 Ų | 23 | 33 Ų | 33 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -88.4 | 110.5 | 171.7 | -62.6 | 162.2 | 0 | 0 | 0 | 107.6 | L245 M248 F249 S258 N376 I378 | L245-I254 HydrophobicContact CD1-CD1 4.14Å; M248-I254 HydrophobicContact CB-CD1 3.5Å; M248-I254 VanDerWaalsContact CB-CD1 3.5Å; M248-I254 HydrophobicContact CB-CG1 3.96Å; M248-I254 HydrophobicContact CG-CD1 4.38Å; M248-I254 PolarHBondContact O-N 3.25Å; M248-I254 HydrophobicContact SD-CD1 4.06Å; F249-I254 HydrophobicContact CD1-CB 4.28Å; F249-I254 HydrophobicContact CD1-CG2 4.35Å; F249-I254 HydrophobicContact CE1-CB 4.2Å; F249-I254 HydrophobicContact CE1-CD1 4.43Å; F249-I254 HydrophobicContact CE1-CG2 3.8Å; F249-I254 HydrophobicContact CE2-CD1 4.42Å; F249-I254 HydrophobicContact CZ-CD1 4.34Å; F249-I254 HydrophobicContact CZ-CG2 4.37Å; I254-S258 WeakPolarHBondContact CG2-OG 3.48Å; I254-N376 HydrophobicContact CG2-CB 4.15Å; I254-N376 VanDerWaalsContact CG2-ND2 3.35Å; I254-N376 WeakPolarHBondContact CG2-ND2 3.29Å; I254-I378 HydrophobicContact CD1-CD1 3.64Å; I254-I378 HydrophobicContact CG2-CD1 4.42Å |
| 255 | K | 82.5 | Confident | 87.4 | Confident | 156 Ų | 156 | 32.9 Ų | 32.9 | 68% | 0.678 | 17% | 0.167 | S | C | * | . | trans | -114.1 | 140.7 | 178.9 | -61 | -176.4 | -177.1 | 175.2 | 0 | 110.7 | K252 S375 N376 | K252-K255 WeakPolarHBondContact O-CE 3.3Å; K252-K255 VanDerWaalsContact O-CG 3.31Å; K252-K255 WeakPolarHBondContact O-CG 3.17Å; K255-S375 WeakPolarHBondContact O-CB 3.38Å; K255-N376 PolarHBondContact O-ND2 2.68Å | ||
| 256 | G | 85.7 | Confident | 87.2 | Confident | 48 Ų | 48 | 36.4 Ų | 36.4 | 50% | 0.495 | 19% | 0.186 | S | C | . | . | S | Bend | trans | 85.4 | -170.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S258 | G256-S258 PolarHBondContact O-N 2.78Å; G256-S258 PolarHBondContact O-OG 2.93Å |
| 257 | K | 89.6 | Confident | 87.3 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 132.1 | -175.9 | -71.1 | -172 | -170.9 | -177.8 | 0 | 111.4 | F301 N302 D304 S307 N372 S375 N376 | K257-F301 HydrophobicContact CB-CE2 4.37Å; K257-F301 HydrophobicContact CB-CZ 3.86Å; K257-F301 HydrophobicContact CD-CE1 4.05Å; K257-F301 HydrophobicContact CD-CE2 4.46Å; K257-F301 HydrophobicContact CD-CZ 4Å; K257-F301 HydrophobicContact CG-CZ 4.25Å; K257-F301 PolarHBondContact NZ-O 3.24Å; K257-N302 PolarHBondContact NZ-O 2.69Å; K257-D304 WeakPolarHBondContact CE-OD1 3.27Å; K257-D304 IonicContact NZ-OD1 3.44Å; K257-D304 PolarHBondContact NZ-OD1 3.34Å; K257-S307 CarbonylContact C-O 3.47Å; K257-S307 WeakPolarHBondContact CA-O 3.5Å; K257-N372 WeakPolarHBondContact CD-O 3.09Å; K257-N372 PolarHBondContact NZ-O 3.36Å; K257-S375 PolarHBondContact O-N 3.42Å; K257-N376 PolarHBondContact O-N 2.95Å |
| 258 | S | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 128.6 | -173.7 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | I254 G256 S307 V308 L309 N376 | I254-S258 WeakPolarHBondContact CG2-OG 3.48Å; G256-S258 PolarHBondContact O-N 2.78Å; G256-S258 PolarHBondContact O-OG 2.93Å; S258-S307 PolarHBondContact N-O 3.4Å; S258-V308 WeakPolarHBondContact O-CA 3.47Å; S258-L309 PolarHBondContact O-N 3.24Å; S258-N376 VanDerWaalsContact CA-O 3.3Å; S258-N376 WeakPolarHBondContact CA-O 3.47Å; S258-N376 PolarHBondContact OG-ND2 2.93Å; S258-N376 VanDerWaalsContact OG-ND2 3.14Å |
| 259 | I | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.9 | 171.9 | -58 | 179.5 | 0 | 0 | 0 | 108.6 | F261 F301 L309 F371 V374 N376 V377 I378 R395 | I259-F261 HydrophobicContact CB-CE2 4.41Å; I259-F261 HydrophobicContact CG2-CD2 4.23Å; I259-F261 HydrophobicContact CG2-CE1 4.27Å; I259-F261 HydrophobicContact CG2-CE2 3.64Å; I259-F261 HydrophobicContact CG2-CZ 3.66Å; I259-F301 HydrophobicContact CD1-CE1 4.38Å; I259-F301 HydrophobicContact CD1-CZ 4.5Å; I259-F301 HydrophobicContact CG1-CE1 4.32Å; I259-F301 HydrophobicContact CG1-CZ 3.95Å; I259-L309 CarbonylContact C-O 3.57Å; I259-L309 WeakPolarHBondContact CA-O 3.42Å; I259-L309 HydrophobicContact CD1-CD2 4.48Å; I259-L309 HydrophobicContact CG1-CB 4.4Å; I259-L309 HydrophobicContact CG1-CD2 4.36Å; I259-F371 HydrophobicContact CD1-CB 4Å; I259-F371 HydrophobicContact CD1-CD1 3.92Å; I259-F371 HydrophobicContact CD1-CD2 3.56Å; I259-F371 HydrophobicContact CD1-CE1 4.27Å; I259-F371 HydrophobicContact CD1-CE2 3.94Å; I259-F371 HydrophobicContact CD1-CG 3.55Å; I259-F371 HydrophobicContact CD1-CZ 4.27Å; I259-V374 HydrophobicContact CD1-CB 4.49Å; I259-V374 HydrophobicContact CD1-CG1 4.02Å; I259-V374 HydrophobicContact CD1-CG2 3.64Å; I259-V374 HydrophobicContact CG1-CG1 3.96Å; I259-V374 HydrophobicContact CG1-CG2 4.22Å; I259-N376 PolarHBondContact N-O 3Å; I259-V377 CarbonylContact O-C 3.47Å; I259-I378 PolarHBondContact O-N 3.28Å; I259-R395 HydrophobicContact CD1-CB 4.38Å |
| 260 | I | 95.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 123.9 | -178.6 | -46.8 | -174.7 | 0 | 0 | 0 | 109.7 | L245 F249 L262 L271 L275 V308 L309 I310 A311 I378 F380 | L245-I260 HydrophobicContact CD2-CD1 4.13Å; F249-I260 HydrophobicContact CE2-CD1 4.01Å; F249-I260 HydrophobicContact CZ-CD1 4.08Å; I260-L262 HydrophobicContact CG2-CD1 4.01Å; I260-L271 HydrophobicContact CD1-CD2 4.22Å; I260-L271 HydrophobicContact CG2-CD2 3.81Å; I260-L275 HydrophobicContact CD1-CD1 4.44Å; I260-V308 HydrophobicContact CD1-CG1 3.65Å; I260-V308 HydrophobicContact CG1-CG1 4.09Å; I260-L309 PolarHBondContact N-O 3.04Å; I260-I310 HydrophobicContact CB-CG1 4.31Å; I260-I310 HydrophobicContact CD1-CG1 4.46Å; I260-I310 CarbonylContact O-C 3.58Å; I260-I310 WeakPolarHBondContact O-CA 3.21Å; I260-A311 PolarHBondContact O-N 3.47Å; I260-I378 CarbonylContact C-O 3.5Å; I260-I378 VanDerWaalsContact CA-O 3.3Å; I260-I378 WeakPolarHBondContact CA-O 3.42Å; I260-I378 HydrophobicContact CB-CB 4.46Å; I260-I378 HydrophobicContact CD1-CD1 4.44Å; I260-I378 HydrophobicContact CG1-CB 4.19Å; I260-I378 HydrophobicContact CG1-CD1 4.21Å; I260-I378 HydrophobicContact CG2-CB 4.26Å; I260-I378 HydrophobicContact CG2-CG2 4.26Å; I260-F380 HydrophobicContact CG2-CB 3.76Å |
| 261 | F | 94.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.7 | 179.8 | -69.8 | -76.9 | 0 | 0 | 0 | 112.3 | I259 A311 S366 V377 I378 F380 D381 R392 R395 | I259-F261 HydrophobicContact CB-CE2 4.41Å; I259-F261 HydrophobicContact CG2-CD2 4.23Å; I259-F261 HydrophobicContact CG2-CE1 4.27Å; I259-F261 HydrophobicContact CG2-CE2 3.64Å; I259-F261 HydrophobicContact CG2-CZ 3.66Å; F261-A311 WeakPolarHBondContact CA-O 3.45Å; F261-A311 HydrophobicContact CD1-CB 4.03Å; F261-A311 HydrophobicContact CE1-CB 3.97Å; F261-S366 WeakPolarHBondContact CE1-OG 3.26Å; F261-V377 HydrophobicContact CD2-CG1 3.97Å; F261-V377 HydrophobicContact CE2-CG1 3.87Å; F261-I378 PolarHBondContact N-O 3.11Å; F261-F380 PolarHBondContact O-N 3.36Å; F261-D381 PolarHBondContact O-N 3.29Å; F261-R392 HydrophobicContact CB-CG 4.47Å; F261-R392 HydrophobicContact CD1-CG 4.01Å; F261-R392 HydrophobicContact CD2-CB 3.81Å; F261-R392 HydrophobicContact CD2-CG 3.73Å; F261-R392 HydrophobicContact CE1-CG 4.12Å; F261-R392 HydrophobicContact CE2-CB 3.74Å; F261-R392 HydrophobicContact CE2-CG 3.85Å; F261-R392 HydrophobicContact CG-CB 4.4Å; F261-R392 HydrophobicContact CG-CG 3.81Å; F261-R392 HydrophobicContact CZ-CB 4.29Å; F261-R392 HydrophobicContact CZ-CG 4.05Å; F261-R395 HydrophobicContact CZ-CG 4.27Å |
| 262 | L | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 161 | 174.3 | -64 | 97.1 | 0 | 0 | 0 | 111.1 | I260 R267 L271 I310 A311 S312 D313 F380 D381 | I260-L262 HydrophobicContact CG2-CD1 4.01Å; L262-R267 HydrophobicContact CB-CB 4.34Å; L262-R267 HydrophobicContact CD2-CB 3.68Å; L262-L271 HydrophobicContact CD1-CD2 3.87Å; L262-L271 HydrophobicContact CD2-CB 4.28Å; L262-L271 HydrophobicContact CD2-CD2 4.26Å; L262-I310 HydrophobicContact CD1-CG2 3.32Å; L262-A311 PolarHBondContact N-O 2.93Å; L262-S312 CarbonylContact O-C 3.25Å; L262-S312 VanDerWaalsContact O-CA 3.22Å; L262-S312 WeakPolarHBondContact O-CA 3.06Å; L262-D313 PolarHBondContact O-N 3.29Å; L262-D313 VanDerWaalsContact O-OD2 3.11Å; L262-F380 HydrophobicContact CD2-CD1 3.53Å; L262-F380 HydrophobicContact CD2-CE1 4.07Å; L262-F380 HydrophobicContact CD2-CG 4.24Å; L262-F380 HydrophobicContact CG-CB 4.1Å; L262-F380 HydrophobicContact CG-CD1 4Å; L262-F380 HydrophobicContact CG-CG 4.37Å; L262-D381 WeakPolarHBondContact CA-OD2 3.42Å |
| 263 | Q | 87.5 | Confident | 89.8 | Confident | 53 Ų | 53 | 34 Ų | 34 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -74.9 | -31.8 | -177 | -75.6 | 175.1 | 13.2 | 0 | 0 | 114.2 | E314 D381 | Q263-E314 PolarHBondContact O-N 3.08Å; Q263-D381 HydrophobicContact CB-CB 4.43Å; Q263-D381 HydrophobicContact CG-CB 3.69Å; Q263-D381 PolarHBondContact N-OD2 2.85Å |
| 264 | T | 87.7 | Confident | 90.1 | Very high | 49 Ų | 49 | 30.9 Ų | 30.9 | 30% | 0.301 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -137.6 | 153.1 | -169.9 | 62.3 | 0 | 0 | 0 | 0 | 112 | D266 R267 C268 E314 | T264-D266 PolarHBondContact O-N 2.64Å; T264-R267 PolarHBondContact O-N 3.31Å; T264-R267 WeakPolarHBondContact OG1-CB 3.5Å; T264-R267 WeakPolarHBondContact OG1-CD 3.26Å; T264-R267 WeakPolarHBondContact OG1-CG 3.41Å; T264-R267 PolarHBondContact OG1-N 2.59Å; T264-C268 PolarHBondContact O-N 3.25Å; T264-C268 PolarHBondContact O-SG 2.78Å; T264-E314 WeakPolarHBondContact CA-OE2 3.3Å |
| 265 | I | 86.4 | Confident | 90.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | -180 | -56.6 | 174.8 | 0 | 0 | 0 | 112.2 | R267 C268 F269 S287 E288 E314 V316 | I265-R267 PolarHBondContact O-N 2.92Å; I265-C268 WeakPolarHBondContact O-CA 3.38Å; I265-C268 VanDerWaalsContact O-CB 3.23Å; I265-C268 WeakPolarHBondContact O-CB 3.43Å; I265-C268 PolarHBondContact O-N 2.79Å; I265-F269 HydrophobicContact CG2-CD2 3.83Å; I265-F269 HydrophobicContact CG2-CE2 3.65Å; I265-F269 WeakPolarHBondContact O-CD2 2.97Å; I265-F269 PolarHBondContact O-N 2.89Å; I265-S287 WeakPolarHBondContact CD1-OG 2.63Å; I265-E288 HydrophobicContact CD1-CG 3.71Å; I265-E314 PolarHBondContact N-OE2 3.29Å; I265-E314 VanDerWaalsContact N-OE2 3.1Å; I265-V316 HydrophobicContact CD1-CG2 4.15Å |
| 266 | D | 88 | Confident | 90.4 | Very high | 74 Ų | 74 | 24 Ų | 24 | 40% | 0.396 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.1 | -34.5 | 180 | -75.6 | -13.9 | 0 | 0 | 0 | 112.2 | T264 F269 K270 I463 R467 | T264-D266 PolarHBondContact O-N 2.64Å; D266-F269 PolarHBondContact O-N 2.66Å; D266-K270 WeakPolarHBondContact O-CB 3.49Å; D266-K270 PolarHBondContact O-N 2.99Å; D266-I463 HydrophobicContact CB-CG2 4Å; D266-R467 IonicContact OD1-CZ 2.72Å; D266-R467 IonicContact OD1-NH1 3.9Å; D266-R467 PolarHBondContact OD1-NH1 3.15Å; D266-R467 IonicContact OD2-NH1 3.72Å |
| 267 | R | 91.6 | Very high | 90 | Very high | 50 Ų | 50 | 23 Ų | 23 | 19% | 0.189 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69 | -36.6 | 173.4 | -71 | 177 | 68.3 | 81.1 | -2.7 | 111.7 | E238 L262 T264 I265 F269 K270 L271 D381 | E238-R267 IonicContact OE1-NH2 2.62Å; E238-R267 IonicContact OE2-CZ 2.66Å; E238-R267 IonicContact OE2-NH1 2.71Å; E238-R267 PolarHBondContact OE2-NH1 3.18Å; E238-R267 IonicContact OE2-NH2 2.86Å; E238-R267 PolarHBondContact OE2-NH2 3.22Å; L262-R267 HydrophobicContact CB-CB 4.34Å; L262-R267 HydrophobicContact CD2-CB 3.68Å; T264-R267 PolarHBondContact O-N 3.31Å; T264-R267 WeakPolarHBondContact OG1-CB 3.5Å; T264-R267 WeakPolarHBondContact OG1-CD 3.26Å; T264-R267 WeakPolarHBondContact OG1-CG 3.41Å; T264-R267 PolarHBondContact OG1-N 2.59Å; I265-R267 PolarHBondContact O-N 2.92Å; R267-F269 VanDerWaalsContact C-N 3.34Å; R267-F269 PolarHBondContact O-N 2.96Å; R267-K270 WeakPolarHBondContact O-CB 3.36Å; R267-K270 PolarHBondContact O-N 3.13Å; R267-L271 WeakPolarHBondContact O-CB 3.46Å; R267-L271 PolarHBondContact O-N 3.36Å; R267-D381 IonicContact CZ-OD1 2.76Å; R267-D381 IonicContact CZ-OD2 2.8Å; R267-D381 IonicContact NE-OD1 2.74Å; R267-D381 PolarHBondContact NE-OD1 2.95Å; R267-D381 IonicContact NE-OD2 3.1Å; R267-D381 PolarHBondContact NE-OD2 2.92Å; R267-D381 IonicContact NH2-OD1 3.42Å; R267-D381 PolarHBondContact NH2-OD1 2.82Å; R267-D381 IonicContact NH2-OD2 3.82Å |
| 268 | C | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 173.3 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | T264 I265 L271 K272 I284 I310 | T264-C268 PolarHBondContact O-N 3.25Å; T264-C268 PolarHBondContact O-SG 2.78Å; I265-C268 WeakPolarHBondContact O-CA 3.38Å; I265-C268 VanDerWaalsContact O-CB 3.23Å; I265-C268 WeakPolarHBondContact O-CB 3.43Å; I265-C268 PolarHBondContact O-N 2.79Å; C268-L271 PolarHBondContact O-N 3.45Å; C268-K272 WeakPolarHBondContact O-CB 3.49Å; C268-K272 PolarHBondContact O-N 3.2Å; C268-I284 HydrophobicContact CB-CD1 4.07Å; C268-I284 HydrophobicContact CB-CG1 4.11Å; C268-I284 HydrophobicContact CB-CG2 3.89Å; C268-I310 HydrophobicContact CB-CG2 3.66Å |
| 269 | F | 91.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.2 | -81 | -76.8 | 0 | 0 | 0 | 112.3 | I265 D266 R267 L271 K272 L273 I284 I463 A466 R467 E470 | I265-F269 HydrophobicContact CG2-CD2 3.83Å; I265-F269 HydrophobicContact CG2-CE2 3.65Å; I265-F269 WeakPolarHBondContact O-CD2 2.97Å; I265-F269 PolarHBondContact O-N 2.89Å; D266-F269 PolarHBondContact O-N 2.66Å; R267-F269 VanDerWaalsContact C-N 3.34Å; R267-F269 PolarHBondContact O-N 2.96Å; F269-L271 VanDerWaalsContact C-N 3.29Å; F269-L271 PolarHBondContact O-N 3.43Å; F269-K272 PolarHBondContact O-N 3.24Å; F269-L273 WeakPolarHBondContact O-CB 3.35Å; F269-L273 VanDerWaalsContact O-CG 3.31Å; F269-L273 WeakPolarHBondContact O-CG 3.47Å; F269-L273 PolarHBondContact O-N 3.35Å; F269-I284 HydrophobicContact CB-CD1 4.38Å; F269-I284 HydrophobicContact CD1-CD1 3.7Å; F269-I284 HydrophobicContact CD2-CD1 4.14Å; F269-I284 HydrophobicContact CE1-CD1 3.87Å; F269-I284 HydrophobicContact CE2-CD1 4.29Å; F269-I284 HydrophobicContact CG-CD1 3.82Å; F269-I284 HydrophobicContact CZ-CD1 4.15Å; F269-I463 HydrophobicContact CB-CG2 3.82Å; F269-A466 HydrophobicContact CD1-CB 3.89Å; F269-A466 HydrophobicContact CE1-CB 4.35Å; F269-R467 HydrophobicContact CD2-CB 3.96Å; F269-R467 HydrophobicContact CD2-CG 4.25Å; F269-R467 HydrophobicContact CE1-CB 4.29Å; F269-R467 HydrophobicContact CE2-CB 3.73Å; F269-R467 HydrophobicContact CE2-CG 3.73Å; F269-R467 HydrophobicContact CG-CB 4.36Å; F269-R467 HydrophobicContact CZ-CB 3.93Å; F269-R467 HydrophobicContact CZ-CG 4.17Å; F269-E470 HydrophobicContact CE1-CB 4.45Å; F269-E470 WeakPolarHBondContact CE1-OE2 3.47Å; F269-E470 HydrophobicContact CZ-CB 4.32Å |
| 270 | K | 92.2 | Very high | 88.4 | Confident | 59 Ų | 59 | 24.5 Ų | 24.5 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -55.8 | -47.3 | 175 | -169.9 | 173.4 | -176.9 | -175.8 | 0 | 111.1 | F242 D266 R267 F274 V458 I463 | F242-K270 HydrophobicContact CE1-CG 4.34Å; F242-K270 HydrophobicContact CZ-CD 4.12Å; F242-K270 HydrophobicContact CZ-CG 4.35Å; D266-K270 WeakPolarHBondContact O-CB 3.49Å; D266-K270 PolarHBondContact O-N 2.99Å; R267-K270 WeakPolarHBondContact O-CB 3.36Å; R267-K270 PolarHBondContact O-N 3.13Å; K270-F274 VanDerWaalsContact O-CB 3.27Å; K270-F274 WeakPolarHBondContact O-CB 3.3Å; K270-F274 PolarHBondContact O-N 3.49Å; K270-V458 HydrophobicContact CB-CG1 4.33Å; K270-V458 HydrophobicContact CG-CB 4.47Å; K270-V458 HydrophobicContact CG-CG1 3.84Å; K270-I463 HydrophobicContact CB-CD1 3.68Å; K270-I463 HydrophobicContact CB-CG1 4.22Å; K270-I463 HydrophobicContact CD-CD1 4.26Å; K270-I463 HydrophobicContact CG-CD1 3.98Å |
| 271 | L | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.4 | -43.9 | 179.7 | -177 | 62.3 | 0 | 0 | 0 | 112.4 | F242 L245 I260 L262 R267 C268 F269 L273 F274 L275 I310 F380 | F242-L271 HydrophobicContact CD1-CD1 4Å; F242-L271 HydrophobicContact CE1-CB 4.49Å; F242-L271 HydrophobicContact CE1-CD1 4.06Å; L245-L271 HydrophobicContact CD2-CD1 3.79Å; L245-L271 HydrophobicContact CD2-CD2 4.07Å; I260-L271 HydrophobicContact CD1-CD2 4.22Å; I260-L271 HydrophobicContact CG2-CD2 3.81Å; L262-L271 HydrophobicContact CD1-CD2 3.87Å; L262-L271 HydrophobicContact CD2-CB 4.28Å; L262-L271 HydrophobicContact CD2-CD2 4.26Å; R267-L271 WeakPolarHBondContact O-CB 3.46Å; R267-L271 PolarHBondContact O-N 3.36Å; C268-L271 PolarHBondContact O-N 3.45Å; F269-L271 VanDerWaalsContact C-N 3.29Å; F269-L271 PolarHBondContact O-N 3.43Å; L271-L273 PolarHBondContact O-N 3.22Å; L271-F274 HydrophobicContact CD1-CD1 4.2Å; L271-F274 PolarHBondContact O-N 3.23Å; L271-L275 HydrophobicContact CD1-CD1 4.03Å; L271-L275 HydrophobicContact CD1-CD2 4.44Å; L271-L275 HydrophobicContact CD1-CG 3.89Å; L271-L275 HydrophobicContact CD2-CD1 4.4Å; L271-L275 HydrophobicContact CG-CD1 3.88Å; L271-L275 HydrophobicContact CG-CG 4.17Å; L271-L275 WeakPolarHBondContact O-CB 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.35Å; L271-L275 PolarHBondContact O-N 3.13Å; L271-I310 HydrophobicContact CB-CD1 4.33Å; L271-I310 HydrophobicContact CD2-CD1 4.04Å; L271-I310 HydrophobicContact CD2-CG1 4.46Å; L271-I310 HydrophobicContact CG-CD1 4.07Å; L271-F380 HydrophobicContact CD1-CE2 4.31Å |
| 272 | K | 92.6 | Very high | 87.5 | Confident | 60 Ų | 60 | 31.5 Ų | 31.5 | 26% | 0.261 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.9 | -48.6 | 176.2 | 175.6 | 178.5 | 177.9 | 177.8 | 0 | 111.8 | C268 F269 G276 I284 I310 E470 | C268-K272 WeakPolarHBondContact O-CB 3.49Å; C268-K272 PolarHBondContact O-N 3.2Å; F269-K272 PolarHBondContact O-N 3.24Å; K272-G276 PolarHBondContact O-N 3.16Å; K272-I284 HydrophobicContact CB-CD1 3.77Å; K272-I284 HydrophobicContact CB-CG1 4.16Å; K272-I284 HydrophobicContact CD-CD1 3.34Å; K272-I284 HydrophobicContact CD-CG1 3.75Å; K272-I284 HydrophobicContact CG-CD1 4.2Å; K272-I310 HydrophobicContact CB-CD1 4.18Å; K272-E470 IonicContact NZ-OE2 3.92Å; K272-E470 PolarHBondContact NZ-OE2 3.4Å |
| 273 | L | 87.2 | Confident | 87.3 | Confident | 55 Ų | 55 | 32.1 Ų | 32.1 | 29% | 0.288 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.5 | -69 | 173.9 | 0 | 0 | 0 | 111.4 | F269 L271 G276 F277 V458 A462 I463 A466 | F269-L273 WeakPolarHBondContact O-CB 3.35Å; F269-L273 VanDerWaalsContact O-CG 3.31Å; F269-L273 WeakPolarHBondContact O-CG 3.47Å; F269-L273 PolarHBondContact O-N 3.35Å; L271-L273 PolarHBondContact O-N 3.22Å; L273-G276 PolarHBondContact O-N 3.09Å; L273-F277 VanDerWaalsContact O-CD2 3.25Å; L273-F277 WeakPolarHBondContact O-CD2 3.35Å; L273-F277 PolarHBondContact O-N 3.47Å; L273-V458 HydrophobicContact CB-CG1 3.84Å; L273-V458 HydrophobicContact CB-CG2 3.87Å; L273-V458 HydrophobicContact CD1-CG1 3.82Å; L273-V458 HydrophobicContact CG-CG1 4.48Å; L273-A462 HydrophobicContact CD1-CB 4.32Å; L273-I463 HydrophobicContact CD1-CG1 4.31Å; L273-A466 HydrophobicContact CD1-CB 4.1Å; L273-A466 HydrophobicContact CD2-CB 4.23Å; L273-A466 HydrophobicContact CG-CB 4.47Å |
| 274 | F | 89.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -52.8 | 177 | 170.2 | -99 | 0 | 0 | 0 | 112.4 | F242 C246 K270 L271 G276 F277 F278 C451 A454 L455 V458 | F242-F274 HydrophobicContact CB-CD1 4.25Å; F242-F274 HydrophobicContact CB-CE1 3.75Å; F242-F274 HydrophobicContact CB-CE2 4.21Å; F242-F274 HydrophobicContact CB-CZ 3.74Å; F242-F274 HydrophobicContact CD1-CB 4.34Å; F242-F274 AromaticContact CD1-CD1 3.7Å; F242-F274 HydrophobicContact CD1-CD1 3.7Å; F242-F274 HydrophobicContact CD1-CD2 4.44Å; F242-F274 HydrophobicContact CD1-CE1 4.08Å; F242-F274 AromaticContact CD1-CG 3.89Å; F242-F274 HydrophobicContact CD1-CG 3.89Å; F242-F274 HydrophobicContact CG-CD1 4.47Å; F242-F274 HydrophobicContact CG-CE1 4.43Å; F242-F274 VanDerWaalsContact O-CE1 3.29Å; F242-F274 WeakPolarHBondContact O-CE1 3.31Å; C246-F274 HydrophobicContact CB-CE1 3.81Å; C246-F274 HydrophobicContact CB-CZ 3.95Å; K270-F274 VanDerWaalsContact O-CB 3.27Å; K270-F274 WeakPolarHBondContact O-CB 3.3Å; K270-F274 PolarHBondContact O-N 3.49Å; L271-F274 HydrophobicContact CD1-CD1 4.2Å; L271-F274 PolarHBondContact O-N 3.23Å; F274-G276 PolarHBondContact O-N 3.39Å; F274-F277 WeakPolarHBondContact O-CB 3.27Å; F274-F277 PolarHBondContact O-N 3.28Å; F274-F277 VanDerWaalsContact O-N 3.12Å; F274-F278 HydrophobicContact CD2-CE2 4.16Å; F274-F278 HydrophobicContact CE1-CD2 4.5Å; F274-F278 HydrophobicContact CE1-CE2 4.44Å; F274-F278 HydrophobicContact CE2-CD2 4.3Å; F274-F278 AromaticContact CE2-CE2 3.55Å; F274-F278 HydrophobicContact CE2-CE2 3.55Å; F274-F278 HydrophobicContact CE2-CZ 4.44Å; F274-F278 HydrophobicContact CZ-CD2 4.18Å; F274-F278 AromaticContact CZ-CE2 3.7Å; F274-F278 HydrophobicContact CZ-CE2 3.7Å; F274-F278 WeakPolarHBondContact O-CD2 3.3Å; F274-C451 HydrophobicContact CE2-CB 4Å; F274-C451 WeakPolarHBondContact CE2-O 3.3Å; F274-C451 HydrophobicContact CZ-CB 3.93Å; F274-A454 HydrophobicContact CD2-CB 4.1Å; F274-A454 HydrophobicContact CE2-CB 4.1Å; F274-L455 HydrophobicContact CD2-CB 4.15Å; F274-L455 HydrophobicContact CD2-CD1 4.2Å; F274-L455 HydrophobicContact CE2-CB 4.32Å; F274-V458 HydrophobicContact CB-CG2 4.3Å |
| 275 | L | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -32.9 | 177.7 | -74.1 | 179.9 | 0 | 0 | 0 | 112.1 | F249 I260 L271 F277 F278 G279 V280 A282 I310 | F249-L275 HydrophobicContact CD2-CD2 4.25Å; I260-L275 HydrophobicContact CD1-CD1 4.44Å; L271-L275 HydrophobicContact CD1-CD1 4.03Å; L271-L275 HydrophobicContact CD1-CD2 4.44Å; L271-L275 HydrophobicContact CD1-CG 3.89Å; L271-L275 HydrophobicContact CD2-CD1 4.4Å; L271-L275 HydrophobicContact CG-CD1 3.88Å; L271-L275 HydrophobicContact CG-CG 4.17Å; L271-L275 WeakPolarHBondContact O-CB 3.3Å; L271-L275 WeakPolarHBondContact O-CG 3.35Å; L271-L275 PolarHBondContact O-N 3.13Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 2.64Å; L275-F278 CarbonylContact O-C 3.53Å; L275-F278 PolarHBondContact O-N 2.94Å; L275-F278 VanDerWaalsContact O-N 3.09Å; L275-G279 PolarHBondContact O-N 3.34Å; L275-V280 CarbonylContact C-O 2.76Å; L275-V280 HydrophobicContact CB-CB 4.01Å; L275-V280 HydrophobicContact CB-CG1 4.29Å; L275-V280 HydrophobicContact CD1-CG1 4.24Å; L275-V280 HydrophobicContact CD2-CB 4.23Å; L275-V280 HydrophobicContact CD2-CG1 4.26Å; L275-V280 PolarHBondContact O-N 3.11Å; L275-A282 HydrophobicContact CD1-CB 4.27Å; L275-I310 HydrophobicContact CD1-CD1 4.42Å |
| 276 | G | 83.7 | Confident | 87.2 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 37% | 0.371 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.5 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K272 L273 F274 F278 G279 | K272-G276 PolarHBondContact O-N 3.16Å; L273-G276 PolarHBondContact O-N 3.09Å; F274-G276 PolarHBondContact O-N 3.39Å; G276-F278 PolarHBondContact O-N 3.47Å; G276-G279 PolarHBondContact O-N 3.48Å |
| 277 | F | 78.9 | Confident | 86.5 | Confident | 27 Ų | 27 | 24.3 Ų | 24.3 | 12% | 0.118 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -29.8 | 175.7 | -71.9 | -66.6 | 0 | 0 | 0 | 112.8 | L273 F274 L275 A454 S457 V458 L507 L510 K511 | L273-F277 VanDerWaalsContact O-CD2 3.25Å; L273-F277 WeakPolarHBondContact O-CD2 3.35Å; L273-F277 PolarHBondContact O-N 3.47Å; F274-F277 WeakPolarHBondContact O-CB 3.27Å; F274-F277 PolarHBondContact O-N 3.28Å; F274-F277 VanDerWaalsContact O-N 3.12Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 2.64Å; F277-A454 HydrophobicContact CB-CB 4.11Å; F277-A454 HydrophobicContact CD2-CB 3.95Å; F277-A454 HydrophobicContact CG-CB 4.14Å; F277-S457 WeakPolarHBondContact CE2-OG 3.38Å; F277-S457 WeakPolarHBondContact CZ-OG 3.45Å; F277-V458 HydrophobicContact CD2-CG2 4.39Å; F277-V458 HydrophobicContact CE2-CG2 3.71Å; F277-L507 HydrophobicContact CD1-CB 4.08Å; F277-L507 HydrophobicContact CD1-CD1 4.22Å; F277-L507 HydrophobicContact CD1-CG 4.37Å; F277-L507 HydrophobicContact CE1-CB 4.14Å; F277-L507 HydrophobicContact CE1-CD1 3.78Å; F277-L507 HydrophobicContact CE1-CG 3.94Å; F277-L510 HydrophobicContact CB-CB 4.46Å; F277-L510 HydrophobicContact CB-CD1 4.37Å; F277-L510 HydrophobicContact CD1-CD1 4.01Å; F277-L510 HydrophobicContact CG-CD1 4.33Å; F277-L510 CarbonylContact O-C 3.55Å; F277-K511 WeakPolarHBondContact O-CA 3.43Å; F277-K511 PolarHBondContact O-N 2.65Å |
| 278 | F | 78.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 9 | 179.4 | -62.6 | -78.9 | 0 | 0 | 0 | 112.1 | C246 K250 F274 L275 G276 V280 F447 R450 C451 A454 | C246-F278 VanDerWaalsContact SG-CB 3.55Å; C246-F278 WeakPolarHBondContact SG-CD2 3.42Å; C246-F278 WeakPolarHBondContact SG-CG 3.49Å; K250-F278 WeakPolarHBondContact CE-O 3.37Å; K250-F278 PolarHBondContact NZ-O 3.03Å; F274-F278 HydrophobicContact CD2-CE2 4.16Å; F274-F278 HydrophobicContact CE1-CD2 4.5Å; F274-F278 HydrophobicContact CE1-CE2 4.44Å; F274-F278 HydrophobicContact CE2-CD2 4.3Å; F274-F278 AromaticContact CE2-CE2 3.55Å; F274-F278 HydrophobicContact CE2-CE2 3.55Å; F274-F278 HydrophobicContact CE2-CZ 4.44Å; F274-F278 HydrophobicContact CZ-CD2 4.18Å; F274-F278 AromaticContact CZ-CE2 3.7Å; F274-F278 HydrophobicContact CZ-CE2 3.7Å; F274-F278 WeakPolarHBondContact O-CD2 3.3Å; L275-F278 CarbonylContact O-C 3.53Å; L275-F278 PolarHBondContact O-N 2.94Å; L275-F278 VanDerWaalsContact O-N 3.09Å; G276-F278 PolarHBondContact O-N 3.47Å; F278-V280 PolarHBondContact O-N 2.87Å; F278-F447 AromaticContact CD1-CE2 3.94Å; F278-F447 HydrophobicContact CD1-CE2 3.94Å; F278-F447 AromaticContact CD1-CZ 3.92Å; F278-F447 HydrophobicContact CD1-CZ 3.92Å; F278-F447 AromaticContact CE1-CE2 3.65Å; F278-F447 HydrophobicContact CE1-CE2 3.65Å; F278-F447 AromaticContact CE1-CZ 3.83Å; F278-F447 HydrophobicContact CE1-CZ 3.83Å; F278-R450 HydrophobicContact CE1-CG 4.17Å; F278-R450 HydrophobicContact CZ-CG 4.37Å; F278-C451 HydrophobicContact CZ-CB 4.36Å; F278-A454 HydrophobicContact CE2-CB 3.61Å; F278-A454 HydrophobicContact CZ-CB 3.86Å |
| 279 | G | 77.8 | Confident | 84.7 | Confident | 27 Ų | 27 | 25.6 Ų | 25.6 | 28% | 0.278 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L275 G276 Q281 | L275-G279 PolarHBondContact O-N 3.34Å; G276-G279 PolarHBondContact O-N 3.48Å; G279-Q281 PolarHBondContact O-N 2.99Å |
| 280 | V | 83.7 | Confident | 83.6 | Confident | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.127 | 16% | 0.162 | C | C | . | . | trans | -83.3 | 108.4 | 171 | 177.9 | 0 | 0 | 0 | 0 | 107.5 | F249 L275 F278 V308 | F249-V280 HydrophobicContact CB-CG2 3.84Å; F249-V280 HydrophobicContact CD1-CG1 4.44Å; F249-V280 HydrophobicContact CD2-CG1 4.25Å; F249-V280 HydrophobicContact CG-CG1 4.2Å; F249-V280 HydrophobicContact CG-CG2 4.31Å; L275-V280 CarbonylContact C-O 2.76Å; L275-V280 HydrophobicContact CB-CB 4.01Å; L275-V280 HydrophobicContact CB-CG1 4.29Å; L275-V280 HydrophobicContact CD1-CG1 4.24Å; L275-V280 HydrophobicContact CD2-CB 4.23Å; L275-V280 HydrophobicContact CD2-CG1 4.26Å; L275-V280 PolarHBondContact O-N 3.11Å; F278-V280 PolarHBondContact O-N 2.87Å; V280-V308 HydrophobicContact CG1-CG2 4.28Å | ||
| 281 | Q | 82.4 | Confident | 82.2 | Confident | 135 Ų | 135 | 27.2 Ų | 27.2 | 63% | 0.631 | 16% | 0.158 | S | C | * | . | trans | -79.8 | 121.6 | 179.1 | -62.4 | -58.5 | -58.1 | 0 | 0 | 109.7 | G279 | G279-Q281 PolarHBondContact O-N 2.99Š| ||
| 282 | A | 89.1 | Confident | 80.7 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 10% | 0.099 | 19% | 0.188 | C | C | . | . | trans | -130.4 | 140.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L275 V308 I310 | L275-A282 HydrophobicContact CD1-CB 4.27Å; A282-V308 WeakPolarHBondContact CA-O 3.33Å; A282-V308 HydrophobicContact CB-CB 4.07Å; A282-V308 HydrophobicContact CB-CG1 3.83Å; A282-I310 HydrophobicContact CB-CD1 3.6Å; A282-I310 HydrophobicContact CB-CG1 4.04Å | ||
| 283 | V | 89.8 | Confident | 79.6 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.8 | 173.8 | 68.6 | 0 | 0 | 0 | 0 | 109.6 | I297 Y306 V308 L309 I310 | V283-I297 HydrophobicContact CG1-CG2 3.97Å; V283-I297 HydrophobicContact CG2-CG1 4.38Å; V283-I297 HydrophobicContact CG2-CG2 3.71Å; V283-Y306 HydrophobicContact CB-CD1 4.25Å; V283-Y306 HydrophobicContact CB-CD2 4.26Å; V283-Y306 HydrophobicContact CB-CE1 4.44Å; V283-Y306 HydrophobicContact CB-CE2 4.44Å; V283-Y306 HydrophobicContact CB-CG 4.16Å; V283-Y306 HydrophobicContact CG1-CD1 4.42Å; V283-Y306 HydrophobicContact CG1-CD2 3.93Å; V283-Y306 HydrophobicContact CG1-CG 3.87Å; V283-Y306 HydrophobicContact CG2-CE2 4.45Å; V283-V308 PolarHBondContact N-O 3.34Å; V283-L309 HydrophobicContact CG1-CD1 3.58Å; V283-L309 CarbonylContact O-C 3.6Å; V283-I310 PolarHBondContact O-N 2.81Å |
| 284 | I | 91.1 | Very high | 78.9 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132 | 178.4 | -65.2 | 163.7 | 0 | 0 | 0 | 108.3 | C268 F269 K272 N286 I310 | C268-I284 HydrophobicContact CB-CD1 4.07Å; C268-I284 HydrophobicContact CB-CG1 4.11Å; C268-I284 HydrophobicContact CB-CG2 3.89Å; F269-I284 HydrophobicContact CB-CD1 4.38Å; F269-I284 HydrophobicContact CD1-CD1 3.7Å; F269-I284 HydrophobicContact CD2-CD1 4.14Å; F269-I284 HydrophobicContact CE1-CD1 3.87Å; F269-I284 HydrophobicContact CE2-CD1 4.29Å; F269-I284 HydrophobicContact CG-CD1 3.82Å; F269-I284 HydrophobicContact CZ-CD1 4.15Å; K272-I284 HydrophobicContact CB-CD1 3.77Å; K272-I284 HydrophobicContact CB-CG1 4.16Å; K272-I284 HydrophobicContact CD-CD1 3.34Å; K272-I284 HydrophobicContact CD-CG1 3.75Å; K272-I284 HydrophobicContact CG-CD1 4.2Å; I284-N286 VanDerWaalsContact C-N 3.34Å; I284-N286 HydrophobicContact CG2-CB 4.11Å; I284-N286 PolarHBondContact O-N 3Å; I284-I310 CarbonylContact C-O 3.47Å; I284-I310 WeakPolarHBondContact CA-O 3.44Å; I284-I310 HydrophobicContact CG1-CB 4.15Å; I284-I310 HydrophobicContact CG1-CG2 4.46Å |
| 285 | L | 86.7 | Confident | 77.9 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 83.8 | 164 | -172.4 | 63.7 | 0 | 0 | 0 | 108.2 | S287 R294 V298 L309 I310 A311 V365 I369 | L285-S287 PolarHBondContact O-N 2.79Å; L285-R294 HydrophobicContact CD1-CB 3.87Å; L285-R294 HydrophobicContact CD1-CG 4.22Å; L285-V298 HydrophobicContact CD1-CG2 4.11Å; L285-L309 HydrophobicContact CB-CD1 4.15Å; L285-I310 PolarHBondContact N-O 3.28Å; L285-A311 HydrophobicContact CB-CB 4.35Å; L285-V365 HydrophobicContact CD1-CG1 4.31Å; L285-V365 HydrophobicContact CD2-CG1 3.78Å; L285-V365 HydrophobicContact CG-CG1 3.68Å; L285-I369 HydrophobicContact CD2-CD1 4.26Å |
| 286 | N | 81.7 | Confident | 77.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -79.1 | 121.4 | -174.6 | -178.6 | 4.6 | 0 | 0 | 0 | 110.6 | I284 E288 L289 R294 | I284-N286 VanDerWaalsContact C-N 3.34Å; I284-N286 HydrophobicContact CG2-CB 4.11Å; I284-N286 PolarHBondContact O-N 3Å; N286-E288 PolarHBondContact O-N 2.74Å; N286-E288 WeakPolarHBondContact OD1-CB 3.3Å; N286-E288 PolarHBondContact OD1-N 3.03Å; N286-L289 HydrophobicContact CB-CD1 3.88Å; N286-L289 HydrophobicContact CB-CG 3.84Å; N286-L289 PolarHBondContact O-N 2.91Å; N286-R294 WeakPolarHBondContact O-CD 3.31Å; N286-R294 WeakPolarHBondContact O-CG 3.14Å | ||
| 287 | S | 72.5 | Confident | 77.1 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.2 | 179.1 | 56.8 | 0 | 0 | 0 | 0 | 114.6 | I265 L285 L289 | I265-S287 WeakPolarHBondContact CD1-OG 2.63Å; L285-S287 PolarHBondContact O-N 2.79Å; S287-L289 VanDerWaalsContact C-N 3.33Å |
| 288 | E | 73.7 | Confident | 77.2 | Confident | 66 Ų | 66 | 37.5 Ų | 37.5 | 31% | 0.308 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13 | 174.2 | -61.2 | 178.8 | 120.6 | 0 | 0 | 113.3 | I265 N286 V316 R467 | I265-E288 HydrophobicContact CD1-CG 3.71Å; N286-E288 PolarHBondContact O-N 2.74Å; N286-E288 WeakPolarHBondContact OD1-CB 3.3Å; N286-E288 PolarHBondContact OD1-N 3.03Å; E288-V316 HydrophobicContact CG-CG2 4.22Å; E288-R467 IonicContact OE1-CZ 3.89Å; E288-R467 IonicContact OE1-NE 3.97Å; E288-R467 PolarHBondContact OE1-NE 3.08Å; E288-R467 IonicContact OE1-NH2 3.02Å; E288-R467 PolarHBondContact OE1-NH2 3.4Å; E288-R467 IonicContact OE2-CZ 3.29Å; E288-R467 IonicContact OE2-NE 3.69Å; E288-R467 PolarHBondContact OE2-NE 3.2Å; E288-R467 IonicContact OE2-NH2 2.87Å; E288-R467 PolarHBondContact OE2-NH2 2.85Å |
| 289 | L | 72.5 | Confident | 77 | Confident | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.058 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -81.9 | 148.6 | 178.7 | -60.4 | 178.8 | 0 | 0 | 0 | 110.3 | N286 S287 R294 I297 E470 E474 | N286-L289 HydrophobicContact CB-CD1 3.88Å; N286-L289 HydrophobicContact CB-CG 3.84Å; N286-L289 PolarHBondContact O-N 2.91Å; S287-L289 VanDerWaalsContact C-N 3.33Å; L289-R294 HydrophobicContact CB-CG 4.19Å; L289-R294 PolarHBondContact O-NE 3.45Å; L289-I297 HydrophobicContact CD1-CD1 4.25Å; L289-E470 HydrophobicContact CD1-CG 4.46Å; L289-E474 HydrophobicContact CD2-CB 3.86Å; L289-E474 HydrophobicContact CD2-CG 4Å |
| 290 | P | 67.3 | Low | 77.1 | Confident | 68 Ų | 68 | 41 Ų | 41 | 44% | 0.442 | 21% | 0.205 | S | C | . | . | trans | -54 | 150 | 172.1 | -22.9 | 33.1 | 0 | 0 | 0 | 112 | N292 S293 R294 E474 | P290-N292 VanDerWaalsContact C-N 3.28Å; P290-N292 PolarHBondContact O-N 2.89Å; P290-S293 WeakPolarHBondContact O-CB 3.46Å; P290-S293 PolarHBondContact O-N 2.86Å; P290-S293 PolarHBondContact O-OG 3.35Å; P290-R294 PolarHBondContact O-N 2.89Å; P290-R294 VanDerWaalsContact O-N 3.09Å; P290-E474 HydrophobicContact CG-CG 4.35Å | ||
| 291 | V | 63.8 | Low | 77.1 | Confident | 26 Ų | 26 | 40 Ų | 40 | 16% | 0.158 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -46.5 | -48.6 | 178.7 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | E91 S293 R294 W295 E362 | E91-V291 WeakPolarHBondContact OE1-CG1 3.19Å; V291-S293 VanDerWaalsContact C-N 3.28Å; V291-S293 PolarHBondContact O-N 2.73Å; V291-R294 VanDerWaalsContact CG2-NH2 3.31Å; V291-R294 WeakPolarHBondContact O-CB 3.4Å; V291-R294 PolarHBondContact O-N 3.21Å; V291-W295 WeakPolarHBondContact O-CB 3.08Å; V291-W295 PolarHBondContact O-N 3.41Å; V291-E362 WeakPolarHBondContact CG2-OE1 3.29Å |
| 292 | N | 62 | Low | 77 | Confident | 120 Ų | 120 | 35.3 Ų | 35.3 | 64% | 0.642 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.7 | -36.5 | -178.1 | -67.2 | -2.4 | 0 | 0 | 0 | 112.8 | P290 W295 H296 | P290-N292 VanDerWaalsContact C-N 3.28Å; P290-N292 PolarHBondContact O-N 2.89Å; N292-W295 PolarHBondContact O-N 3.05Å; N292-H296 PolarHBondContact O-N 2.92Å |
| 293 | S | 69.2 | Low | 76.4 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -73.5 | -40.9 | -180 | -31 | 0 | 0 | 0 | 0 | 110.2 | P290 V291 W295 H296 I297 E474 | P290-S293 WeakPolarHBondContact O-CB 3.46Å; P290-S293 PolarHBondContact O-N 2.86Å; P290-S293 PolarHBondContact O-OG 3.35Å; V291-S293 VanDerWaalsContact C-N 3.28Å; V291-S293 PolarHBondContact O-N 2.73Å; S293-W295 VanDerWaalsContact C-N 3.33Å; S293-W295 PolarHBondContact O-N 3.07Å; S293-H296 WeakPolarHBondContact O-CB 3.22Å; S293-H296 PolarHBondContact O-N 3.49Å; S293-I297 WeakPolarHBondContact O-CG1 3.4Å; S293-I297 PolarHBondContact O-N 2.86Å; S293-I297 VanDerWaalsContact O-N 3.16Å; S293-E474 VanDerWaalsContact CB-CD 3.49Å; S293-E474 WeakPolarHBondContact CB-OE1 2.75Å; S293-E474 PolarHBondContact OG-OE1 3.1Å |
| 294 | R | 73 | Confident | 76 | Confident | 13 Ų | 13 | 46.5 Ų | 46.5 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -43.7 | 171.3 | -66.8 | -167.5 | -81.2 | 117 | -12.4 | 111.4 | L285 N286 L289 P290 V291 H296 I297 V298 E362 V365 | L285-R294 HydrophobicContact CD1-CB 3.87Å; L285-R294 HydrophobicContact CD1-CG 4.22Å; N286-R294 WeakPolarHBondContact O-CD 3.31Å; N286-R294 WeakPolarHBondContact O-CG 3.14Å; L289-R294 HydrophobicContact CB-CG 4.19Å; L289-R294 PolarHBondContact O-NE 3.45Å; P290-R294 PolarHBondContact O-N 2.89Å; P290-R294 VanDerWaalsContact O-N 3.09Å; V291-R294 VanDerWaalsContact CG2-NH2 3.31Å; V291-R294 WeakPolarHBondContact O-CB 3.4Å; V291-R294 PolarHBondContact O-N 3.21Å; R294-H296 PolarHBondContact O-N 2.83Å; R294-I297 WeakPolarHBondContact O-CB 3.37Å; R294-I297 PolarHBondContact O-N 3.46Å; R294-V298 WeakPolarHBondContact O-CG2 2.85Å; R294-V298 PolarHBondContact O-N 2.78Å; R294-V298 VanDerWaalsContact O-N 3.09Å; R294-E362 IonicContact CZ-OE2 2.74Å; R294-E362 IonicContact NH2-OE1 3.09Å; R294-E362 PolarHBondContact NH2-OE1 3.28Å; R294-E362 IonicContact NH2-OE2 3.36Å; R294-E362 PolarHBondContact NH2-OE2 3.37Å; R294-V365 VanDerWaalsContact CD-CG1 3.44Å |
| 295 | W | 69.2 | Low | 75.5 | Confident | 125 Ų | 125 | 51.8 Ų | 51.8 | 47% | 0.473 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 176.4 | -177.6 | 85.3 | 0 | 0 | 0 | 112 | V291 N292 S293 I297 V298 Q299 | V291-W295 WeakPolarHBondContact O-CB 3.08Å; V291-W295 PolarHBondContact O-N 3.41Å; N292-W295 PolarHBondContact O-N 3.05Å; S293-W295 VanDerWaalsContact C-N 3.33Å; S293-W295 PolarHBondContact O-N 3.07Å; W295-I297 VanDerWaalsContact C-N 3.28Å; W295-I297 PolarHBondContact O-N 3.29Å; W295-V298 PolarHBondContact O-N 3.29Å; W295-V298 VanDerWaalsContact O-N 3.14Å; W295-Q299 HydrophobicContact CD2-CG 3.89Å; W295-Q299 HydrophobicContact CE3-CG 4.04Å; W295-Q299 HydrophobicContact CH2-CG 4.21Å; W295-Q299 VanDerWaalsContact CH2-OE1 3.25Å; W295-Q299 HydrophobicContact CZ2-CG 4Å; W295-Q299 HydrophobicContact CZ3-CG 4.19Å; W295-Q299 WeakPolarHBondContact O-CG 3.41Å; W295-Q299 PolarHBondContact O-N 3.25Å |
| 296 | H | 74.5 | Confident | 75.3 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 45% | 0.454 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57 | -42.3 | 175.3 | -170.4 | 64.7 | 0 | 0 | 0 | 111.9 | N292 S293 R294 Q299 Q300 | N292-H296 PolarHBondContact O-N 2.92Å; S293-H296 WeakPolarHBondContact O-CB 3.22Å; S293-H296 PolarHBondContact O-N 3.49Å; R294-H296 PolarHBondContact O-N 2.83Å; H296-Q299 PolarHBondContact O-N 2.82Å; H296-Q300 PolarHBondContact CD2-NE2 2.92Å; H296-Q300 PolarHBondContact NE2-NE2 2.8Å; H296-Q300 VanDerWaalsContact O-CG 3.23Å; H296-Q300 WeakPolarHBondContact O-CG 3.15Å; H296-Q300 PolarHBondContact O-N 2.96Å |
| 297 | I | 81.9 | Confident | 75.6 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.5 | -66.3 | 165.3 | 0 | 0 | 0 | 111.2 | V283 L289 S293 R294 W295 Q299 Q300 F301 L309 | V283-I297 HydrophobicContact CG1-CG2 3.97Å; V283-I297 HydrophobicContact CG2-CG1 4.38Å; V283-I297 HydrophobicContact CG2-CG2 3.71Å; L289-I297 HydrophobicContact CD1-CD1 4.25Å; S293-I297 WeakPolarHBondContact O-CG1 3.4Å; S293-I297 PolarHBondContact O-N 2.86Å; S293-I297 VanDerWaalsContact O-N 3.16Å; R294-I297 WeakPolarHBondContact O-CB 3.37Å; R294-I297 PolarHBondContact O-N 3.46Å; W295-I297 VanDerWaalsContact C-N 3.28Å; W295-I297 PolarHBondContact O-N 3.29Å; I297-Q299 PolarHBondContact O-N 3.03Å; I297-Q300 PolarHBondContact O-N 2.85Å; I297-F301 WeakPolarHBondContact O-CB 3.3Å; I297-F301 PolarHBondContact O-N 3.49Å; I297-L309 HydrophobicContact CG2-CD1 3.92Å |
| 298 | V | 80.6 | Confident | 76.5 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 177.2 | 174.1 | 0 | 0 | 0 | 0 | 111 | L285 R294 W295 Q300 F301 N302 I369 F371 | L285-V298 HydrophobicContact CD1-CG2 4.11Å; R294-V298 WeakPolarHBondContact O-CG2 2.85Å; R294-V298 PolarHBondContact O-N 2.78Å; R294-V298 VanDerWaalsContact O-N 3.09Å; W295-V298 PolarHBondContact O-N 3.29Å; W295-V298 VanDerWaalsContact O-N 3.14Å; V298-Q300 PolarHBondContact O-N 3Å; V298-F301 WeakPolarHBondContact O-CB 3.42Å; V298-F301 PolarHBondContact O-N 3.5Å; V298-N302 WeakPolarHBondContact O-CB 3.37Å; V298-N302 PolarHBondContact O-N 2.86Å; V298-I369 HydrophobicContact CB-CG2 4.28Å; V298-I369 HydrophobicContact CG1-CG2 3.49Å; V298-I369 VanDerWaalsContact CG1-CG2 3.49Å; V298-I369 HydrophobicContact CG2-CD1 4.11Å; V298-I369 HydrophobicContact CG2-CG2 3.8Å; V298-F371 HydrophobicContact CG1-CD1 4.38Å; V298-F371 HydrophobicContact CG1-CE1 4.21Å; V298-F371 HydrophobicContact CG2-CE1 4.14Å |
| 299 | Q | 74.7 | Confident | 77.4 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 28% | 0.276 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.1 | -72.9 | -159.3 | -43.1 | 0 | 0 | 112.4 | W295 H296 I297 F301 N302 K303 | W295-Q299 HydrophobicContact CD2-CG 3.89Å; W295-Q299 HydrophobicContact CE3-CG 4.04Å; W295-Q299 HydrophobicContact CH2-CG 4.21Å; W295-Q299 VanDerWaalsContact CH2-OE1 3.25Å; W295-Q299 HydrophobicContact CZ2-CG 4Å; W295-Q299 HydrophobicContact CZ3-CG 4.19Å; W295-Q299 WeakPolarHBondContact O-CG 3.41Å; W295-Q299 PolarHBondContact O-N 3.25Å; H296-Q299 PolarHBondContact O-N 2.82Å; I297-Q299 PolarHBondContact O-N 3.03Å; Q299-F301 VanDerWaalsContact C-N 3.3Å; Q299-F301 PolarHBondContact O-N 2.84Å; Q299-N302 PolarHBondContact O-N 3.25Å; Q299-K303 WeakPolarHBondContact O-CB 3.41Å; Q299-K303 VanDerWaalsContact O-CG 3.31Å; Q299-K303 WeakPolarHBondContact O-CG 3.5Å; Q299-K303 PolarHBondContact O-N 2.78Å |
| 300 | Q | 80 | Confident | 78.4 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 176.7 | -71.4 | 177.3 | -27.8 | 0 | 0 | 111.3 | H296 I297 V298 K303 D304 L305 Y306 | H296-Q300 PolarHBondContact CD2-NE2 2.92Å; H296-Q300 PolarHBondContact NE2-NE2 2.8Å; H296-Q300 VanDerWaalsContact O-CG 3.23Å; H296-Q300 WeakPolarHBondContact O-CG 3.15Å; H296-Q300 PolarHBondContact O-N 2.96Å; I297-Q300 PolarHBondContact O-N 2.85Å; V298-Q300 PolarHBondContact O-N 3Å; Q300-K303 CarbonylContact O-C 3.56Å; Q300-K303 PolarHBondContact O-N 3.22Å; Q300-D304 PolarHBondContact O-N 3.14Å; Q300-L305 HydrophobicContact CB-CB 4.31Å; Q300-L305 HydrophobicContact CB-CD1 3.9Å; Q300-L305 HydrophobicContact CG-CD1 3.83Å; Q300-L305 WeakPolarHBondContact O-CB 3.48Å; Q300-L305 PolarHBondContact O-N 2.78Å; Q300-Y306 HydrophobicContact CB-CD2 3.98Å; Q300-Y306 HydrophobicContact CB-CE2 3.87Å |
| 301 | F | 82.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 173.2 | -178.6 | -98.1 | 0 | 0 | 0 | 112.4 | K257 I259 I297 V298 Q299 K303 D304 Y306 L309 F371 V374 | K257-F301 HydrophobicContact CB-CE2 4.37Å; K257-F301 HydrophobicContact CB-CZ 3.86Å; K257-F301 HydrophobicContact CD-CE1 4.05Å; K257-F301 HydrophobicContact CD-CE2 4.46Å; K257-F301 HydrophobicContact CD-CZ 4Å; K257-F301 HydrophobicContact CG-CZ 4.25Å; K257-F301 PolarHBondContact NZ-O 3.24Å; I259-F301 HydrophobicContact CD1-CE1 4.38Å; I259-F301 HydrophobicContact CD1-CZ 4.5Å; I259-F301 HydrophobicContact CG1-CE1 4.32Å; I259-F301 HydrophobicContact CG1-CZ 3.95Å; I297-F301 WeakPolarHBondContact O-CB 3.3Å; I297-F301 PolarHBondContact O-N 3.49Å; V298-F301 WeakPolarHBondContact O-CB 3.42Å; V298-F301 PolarHBondContact O-N 3.5Å; Q299-F301 VanDerWaalsContact C-N 3.3Å; Q299-F301 PolarHBondContact O-N 2.84Å; F301-K303 VanDerWaalsContact C-N 3.31Å; F301-K303 PolarHBondContact O-N 3.5Å; F301-D304 PolarHBondContact O-N 3.12Å; F301-Y306 VanDerWaalsContact CD2-O 3.32Å; F301-Y306 WeakPolarHBondContact CD2-O 3.45Å; F301-L309 HydrophobicContact CD1-CD2 4.48Å; F301-L309 HydrophobicContact CD2-CB 3.78Å; F301-L309 HydrophobicContact CE2-CB 3.66Å; F301-L309 HydrophobicContact CG-CB 4.4Å; F301-L309 HydrophobicContact CG-CD2 4.45Å; F301-L309 HydrophobicContact CZ-CB 4.19Å; F301-F371 AromaticContact CD1-CD1 3.8Å; F301-F371 HydrophobicContact CD1-CD1 3.8Å; F301-F371 HydrophobicContact CE1-CB 4.31Å; F301-F371 AromaticContact CE1-CD1 3.9Å; F301-F371 HydrophobicContact CE1-CD1 3.9Å; F301-F371 HydrophobicContact CE1-CG 4.47Å; F301-V374 HydrophobicContact CE1-CG2 4.16Å |
| 302 | N | 79.9 | Confident | 80.5 | Confident | 37 Ų | 37 | 50.4 Ų | 50.4 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.9 | -32 | 176.5 | -75.3 | -13.1 | 0 | 0 | 0 | 112.1 | K257 V298 Q299 D304 D370 N372 | K257-N302 PolarHBondContact NZ-O 2.69Å; V298-N302 WeakPolarHBondContact O-CB 3.37Å; V298-N302 PolarHBondContact O-N 2.86Å; Q299-N302 PolarHBondContact O-N 3.25Å; N302-D304 PolarHBondContact O-N 3.26Å; N302-D370 PolarHBondContact ND2-O 3.4Å; N302-N372 PolarHBondContact OD1-N 3.07Å |
| 303 | K | 78.4 | Confident | 81 | Confident | 144 Ų | 144 | 45.9 Ų | 45.9 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 14.4 | 172.6 | -70.1 | 178.6 | 179.5 | -179.7 | 0 | 114.8 | Q299 Q300 F301 L305 | Q299-K303 WeakPolarHBondContact O-CB 3.41Å; Q299-K303 VanDerWaalsContact O-CG 3.31Å; Q299-K303 WeakPolarHBondContact O-CG 3.5Å; Q299-K303 PolarHBondContact O-N 2.78Å; Q300-K303 CarbonylContact O-C 3.56Å; Q300-K303 PolarHBondContact O-N 3.22Å; F301-K303 VanDerWaalsContact C-N 3.31Å; F301-K303 PolarHBondContact O-N 3.5Å; K303-L305 HydrophobicContact CB-CG 4.45Å; K303-L305 PolarHBondContact O-N 3.31Å; K303-L305 VanDerWaalsContact O-N 3.16Å |
| 304 | D | 80.5 | Confident | 80.8 | Confident | 118 Ų | 118 | 49 Ų | 49 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 14.9 | 177.9 | -56.4 | -57 | 0 | 0 | 0 | 115.7 | K257 Q300 F301 N302 Y306 | K257-D304 WeakPolarHBondContact CE-OD1 3.27Å; K257-D304 IonicContact NZ-OD1 3.44Å; K257-D304 PolarHBondContact NZ-OD1 3.34Å; Q300-D304 PolarHBondContact O-N 3.14Å; F301-D304 PolarHBondContact O-N 3.12Å; N302-D304 PolarHBondContact O-N 3.26Å; D304-Y306 VanDerWaalsContact C-N 3.29Å; D304-Y306 PolarHBondContact O-N 3.27Å |
| 305 | L | 80.5 | Confident | 80 | Confident | 113 Ų | 113 | 52 Ų | 52 | 59% | 0.592 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -71.9 | -26.4 | 178 | -62.8 | 176.1 | 0 | 0 | 0 | 112.7 | Q300 K303 | Q300-L305 HydrophobicContact CB-CB 4.31Å; Q300-L305 HydrophobicContact CB-CD1 3.9Å; Q300-L305 HydrophobicContact CG-CD1 3.83Å; Q300-L305 WeakPolarHBondContact O-CB 3.48Å; Q300-L305 PolarHBondContact O-N 2.78Å; K303-L305 HydrophobicContact CB-CG 4.45Å; K303-L305 PolarHBondContact O-N 3.31Å; K303-L305 VanDerWaalsContact O-N 3.16Å |
| 306 | Y | 83.5 | Confident | 79 | Confident | 79 Ų | 79 | 49.7 Ų | 49.7 | 31% | 0.31 | 25% | 0.252 | S | S | . | . | trans | -128.3 | 136.6 | 175.1 | -59.2 | -71.9 | 0 | 0 | 0 | 110.2 | V283 Q300 F301 D304 | V283-Y306 HydrophobicContact CB-CD1 4.25Å; V283-Y306 HydrophobicContact CB-CD2 4.26Å; V283-Y306 HydrophobicContact CB-CE1 4.44Å; V283-Y306 HydrophobicContact CB-CE2 4.44Å; V283-Y306 HydrophobicContact CB-CG 4.16Å; V283-Y306 HydrophobicContact CG1-CD1 4.42Å; V283-Y306 HydrophobicContact CG1-CD2 3.93Å; V283-Y306 HydrophobicContact CG1-CG 3.87Å; V283-Y306 HydrophobicContact CG2-CE2 4.45Å; Q300-Y306 HydrophobicContact CB-CD2 3.98Å; Q300-Y306 HydrophobicContact CB-CE2 3.87Å; F301-Y306 VanDerWaalsContact CD2-O 3.32Å; F301-Y306 WeakPolarHBondContact CD2-O 3.45Å; D304-Y306 VanDerWaalsContact C-N 3.29Å; D304-Y306 PolarHBondContact O-N 3.27Å | ||
| 307 | S | 86.1 | Confident | 77.4 | Confident | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -93.4 | -21.5 | 174.1 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | K257 S258 | K257-S307 CarbonylContact C-O 3.47Å; K257-S307 WeakPolarHBondContact CA-O 3.5Å; S258-S307 PolarHBondContact N-O 3.4Å |
| 308 | V | 91.9 | Very high | 75.2 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.5 | -177.4 | -174.2 | 0 | 0 | 0 | 0 | 110.6 | F249 S258 I260 V280 A282 V283 | F249-V308 HydrophobicContact CE1-CG2 3.74Å; F249-V308 HydrophobicContact CZ-CG1 4.21Å; F249-V308 HydrophobicContact CZ-CG2 3.88Å; S258-V308 WeakPolarHBondContact O-CA 3.47Å; I260-V308 HydrophobicContact CD1-CG1 3.65Å; I260-V308 HydrophobicContact CG1-CG1 4.09Å; V280-V308 HydrophobicContact CG1-CG2 4.28Å; A282-V308 WeakPolarHBondContact CA-O 3.33Å; A282-V308 HydrophobicContact CB-CB 4.07Å; A282-V308 HydrophobicContact CB-CG1 3.83Å; V283-V308 PolarHBondContact N-O 3.34Å |
| 309 | L | 92.6 | Very high | 72.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.7 | 174.9 | 179.6 | 69.3 | 0 | 0 | 0 | 109.6 | S258 I259 I260 V283 L285 I297 F301 F371 | S258-L309 PolarHBondContact O-N 3.24Å; I259-L309 CarbonylContact C-O 3.57Å; I259-L309 WeakPolarHBondContact CA-O 3.42Å; I259-L309 HydrophobicContact CD1-CD2 4.48Å; I259-L309 HydrophobicContact CG1-CB 4.4Å; I259-L309 HydrophobicContact CG1-CD2 4.36Å; I260-L309 PolarHBondContact N-O 3.04Å; V283-L309 HydrophobicContact CG1-CD1 3.58Å; V283-L309 CarbonylContact O-C 3.6Å; L285-L309 HydrophobicContact CB-CD1 4.15Å; I297-L309 HydrophobicContact CG2-CD1 3.92Å; F301-L309 HydrophobicContact CD1-CD2 4.48Å; F301-L309 HydrophobicContact CD2-CB 3.78Å; F301-L309 HydrophobicContact CE2-CB 3.66Å; F301-L309 HydrophobicContact CG-CB 4.4Å; F301-L309 HydrophobicContact CG-CD2 4.45Å; F301-L309 HydrophobicContact CZ-CB 4.19Å; L309-F371 HydrophobicContact CD2-CD1 4Å; L309-F371 HydrophobicContact CD2-CE1 3.24Å; L309-F371 HydrophobicContact CD2-CZ 3.76Å |
| 310 | I | 93.6 | Very high | 70.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.7 | 177.4 | -59.7 | 174.3 | 0 | 0 | 0 | 108.6 | I260 L262 C268 L271 K272 L275 A282 V283 I284 L285 | I260-I310 HydrophobicContact CB-CG1 4.31Å; I260-I310 HydrophobicContact CD1-CG1 4.46Å; I260-I310 CarbonylContact O-C 3.58Å; I260-I310 WeakPolarHBondContact O-CA 3.21Å; L262-I310 HydrophobicContact CD1-CG2 3.32Å; C268-I310 HydrophobicContact CB-CG2 3.66Å; L271-I310 HydrophobicContact CB-CD1 4.33Å; L271-I310 HydrophobicContact CD2-CD1 4.04Å; L271-I310 HydrophobicContact CD2-CG1 4.46Å; L271-I310 HydrophobicContact CG-CD1 4.07Å; K272-I310 HydrophobicContact CB-CD1 4.18Å; L275-I310 HydrophobicContact CD1-CD1 4.42Å; A282-I310 HydrophobicContact CB-CD1 3.6Å; A282-I310 HydrophobicContact CB-CG1 4.04Å; V283-I310 PolarHBondContact O-N 2.81Å; I284-I310 CarbonylContact C-O 3.47Å; I284-I310 WeakPolarHBondContact CA-O 3.44Å; I284-I310 HydrophobicContact CG1-CB 4.15Å; I284-I310 HydrophobicContact CG1-CG2 4.46Å; L285-I310 PolarHBondContact N-O 3.28Å |
| 311 | A | 89.9 | Confident | 68.8 | Low | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.017 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | I260 F261 L262 L285 | I260-A311 PolarHBondContact O-N 3.47Å; F261-A311 WeakPolarHBondContact CA-O 3.45Å; F261-A311 HydrophobicContact CD1-CB 4.03Å; F261-A311 HydrophobicContact CE1-CB 3.97Å; L262-A311 PolarHBondContact N-O 2.93Å; L285-A311 HydrophobicContact CB-CB 4.35Å |
| 312 | S | 86.4 | Confident | 66.4 | Low | 2 Ų | 2 | 68.2 Ų | 68.2 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 147.7 | 172.7 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | L262 E314 | L262-S312 CarbonylContact O-C 3.25Å; L262-S312 VanDerWaalsContact O-CA 3.22Å; L262-S312 WeakPolarHBondContact O-CA 3.06Å; S312-E314 VanDerWaalsContact C-N 3.33Å |
| 313 | D | 71.5 | Confident | 64.2 | Low | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.134 | 38% | 0.376 | C | S | . | . | trans | -77.5 | -22.9 | 168 | -51.4 | -74.5 | 0 | 0 | 0 | 113 | L262 I315 S364 R392 | L262-D313 PolarHBondContact O-N 3.29Å; L262-D313 VanDerWaalsContact O-OD2 3.11Å; D313-I315 PolarHBondContact O-N 3.38Å; D313-S364 PolarHBondContact O-OG 3.19Å; D313-R392 IonicContact OD1-CZ 3.48Å; D313-R392 VanDerWaalsContact OD1-CZ 3.26Å; D313-R392 IonicContact OD1-NE 3.29Å; D313-R392 PolarHBondContact OD1-NE 3.43Å; D313-R392 VanDerWaalsContact OD1-NE 3.08Å; D313-R392 IonicContact OD1-NH2 3.91Å; D313-R392 PolarHBondContact OD1-NH2 2.83Å; D313-R392 IonicContact OD2-CZ 2.64Å; D313-R392 IonicContact OD2-NE 3.41Å; D313-R392 IonicContact OD2-NH2 3.56Å; D313-R392 PolarHBondContact OD2-NH2 3.18Å | ||
| 314 | E | 64.8 | Low | 62 | Low | 80 Ų | 80 | 72.5 Ų | 72.5 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | trans | -51.8 | 127.3 | -176.5 | -171.1 | 168.4 | -167.2 | 0 | 0 | 111.1 | Q263 T264 I265 S312 | Q263-E314 PolarHBondContact O-N 3.08Å; T264-E314 WeakPolarHBondContact CA-OE2 3.3Å; I265-E314 PolarHBondContact N-OE2 3.29Å; I265-E314 VanDerWaalsContact N-OE2 3.1Å; S312-E314 VanDerWaalsContact C-N 3.33Å | ||
| 315 | I | 56 | Low | 59.7 | Low | 75 Ų | 75 | 77.4 Ų | 77.4 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -101.5 | 118.5 | 176.6 | -44.7 | 179.1 | 0 | 0 | 0 | 107.2 | D313 L317 E362 | D313-I315 PolarHBondContact O-N 3.38Å; I315-L317 HydrophobicContact CB-CD1 4.23Å; I315-L317 HydrophobicContact CB-CG 4.33Å; I315-L317 HydrophobicContact CD1-CD1 4.44Å; I315-L317 HydrophobicContact CG2-CB 4.42Å; I315-L317 HydrophobicContact CG2-CD1 3.6Å; I315-L317 HydrophobicContact CG2-CD2 4.47Å; I315-L317 HydrophobicContact CG2-CG 3.49Å; I315-L317 VanDerWaalsContact CG2-CG 3.49Å; I315-L317 PolarHBondContact O-N 3.44Å; I315-E362 WeakPolarHBondContact CG2-O 3.21Å | ||
| 316 | V | 48 | Very low | 57.7 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | trans | -79.9 | 72.1 | 171.9 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | I265 E288 | I265-V316 HydrophobicContact CD1-CG2 4.15Å; E288-V316 HydrophobicContact CG-CG2 4.22Å | ||
| 317 | L | 42 | Very low | 55.4 | Low | 61 Ų | 61 | 80.5 Ų | 80.5 | 32% | 0.319 | 41% | 0.409 | S | S | . | . | trans | -99.5 | 100.2 | 168.1 | -73.8 | 166.3 | 0 | 0 | 0 | 108.1 | I315 N319 K361 | I315-L317 HydrophobicContact CB-CD1 4.23Å; I315-L317 HydrophobicContact CB-CG 4.33Å; I315-L317 HydrophobicContact CD1-CD1 4.44Å; I315-L317 HydrophobicContact CG2-CB 4.42Å; I315-L317 HydrophobicContact CG2-CD1 3.6Å; I315-L317 HydrophobicContact CG2-CD2 4.47Å; I315-L317 HydrophobicContact CG2-CG 3.49Å; I315-L317 VanDerWaalsContact CG2-CG 3.49Å; I315-L317 PolarHBondContact O-N 3.44Å; L317-N319 PolarHBondContact O-N 2.74Å; L317-K361 HydrophobicContact CD2-CB 3.63Å; L317-K361 HydrophobicContact CD2-CG 3.8Å | ||
| 318 | E | 35.1 | Very low | 53.1 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 51% | 0.505 | 41% | 0.41 | S | S | . | . | trans | -78.3 | 61.1 | 172.8 | -78.3 | -163.6 | 154.2 | 0 | 0 | 112.2 | P320 L355 Q359 | E318-P320 VanDerWaalsContact O-CD 3.26Å; E318-P320 WeakPolarHBondContact O-CD 3.22Å; E318-P320 VanDerWaalsContact O-N 3.11Å; E318-L355 WeakPolarHBondContact OE2-CD2 3.36Å; E318-Q359 VanDerWaalsContact C-NE2 3.32Å; E318-Q359 VanDerWaalsContact O-CD 3.25Å; E318-Q359 PolarHBondContact O-NE2 3.18Å; E318-Q359 PolarHBondContact O-OE1 3.33Å | ||
| 319 | N | 31.1 | Very low | 50.5 | Low | 87 Ų | 87 | 83.7 Ų | 83.7 | 47% | 0.465 | 43% | 0.431 | S | S | . | . | trans | -53.5 | 119.8 | 171.6 | -86.5 | -30.4 | 0 | 0 | 0 | 111.1 | L317 A321 H322 | L317-N319 PolarHBondContact O-N 2.74Å; N319-A321 PolarHBondContact O-N 3.41Å; N319-A321 VanDerWaalsContact O-N 3.07Å; N319-H322 PolarHBondContact O-N 2.87Å | ||
| 320 | P | 34.8 | Very low | 48 | Very low | 89 Ų | 89 | 88.2 Ų | 88.2 | 58% | 0.578 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -64.1 | -16.8 | -177.3 | -10.8 | 16.4 | 0 | 0 | 0 | 114.5 | E318 H322 N323 | E318-P320 VanDerWaalsContact O-CD 3.26Å; E318-P320 WeakPolarHBondContact O-CD 3.22Å; E318-P320 VanDerWaalsContact O-N 3.11Å; P320-H322 PolarHBondContact O-N 3.02Å; P320-N323 WeakPolarHBondContact O-CB 3.4Å; P320-N323 PolarHBondContact O-ND2 3.5Å |
| 321 | A | 34.9 | Very low | 45.3 | Very low | 101 Ų | 101 | 95.6 Ų | 95.6 | 84% | 0.835 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -73.4 | -21.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N319 N323 | N319-A321 PolarHBondContact O-N 3.41Å; N319-A321 VanDerWaalsContact O-N 3.07Å; A321-N323 PolarHBondContact O-N 2.79Å |
| 322 | H | 32.7 | Very low | 43 | Very low | 166 Ų | 166 | 99.6 Ų | 99.6 | 77% | 0.769 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -86.6 | 15.2 | -178.8 | -129.7 | -56.9 | 0 | 0 | 0 | 114.1 | N319 P320 K324 | N319-H322 PolarHBondContact O-N 2.87Å; P320-H322 PolarHBondContact O-N 3.02Å; H322-K324 VanDerWaalsContact C-N 3.29Å; H322-K324 PolarHBondContact O-N 2.83Å; H322-K324 VanDerWaalsContact O-N 3.08Å |
| 323 | N | 33 | Very low | 40.9 | Very low | 74 Ų | 74 | 103.3 Ų | 103.3 | 40% | 0.396 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.6 | -10.2 | -169.1 | -104.6 | -35.8 | 0 | 0 | 0 | 117.1 | P320 A321 R325 Q327 | P320-N323 WeakPolarHBondContact O-CB 3.4Å; P320-N323 PolarHBondContact O-ND2 3.5Å; A321-N323 PolarHBondContact O-N 2.79Å; N323-R325 PolarHBondContact O-N 3.46Å; N323-Q327 HydrophobicContact CB-CG 4.43Å; N323-Q327 VanDerWaalsContact O-CB 3.3Å; N323-Q327 WeakPolarHBondContact O-CB 3.47Å; N323-Q327 VanDerWaalsContact O-CG 3.26Å; N323-Q327 WeakPolarHBondContact O-CG 3.32Å; N323-Q327 PolarHBondContact O-N 2.99Å; N323-Q327 VanDerWaalsContact O-N 3.09Å |
| 324 | K | 32.3 | Very low | 39.5 | Very low | 196 Ų | 196 | 104.5 Ų | 104.5 | 85% | 0.852 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.5 | -34.2 | -176.8 | -73.7 | -172.3 | 178.8 | 179.4 | 0 | 114 | H322 | H322-K324 VanDerWaalsContact C-N 3.29Å; H322-K324 PolarHBondContact O-N 2.83Å; H322-K324 VanDerWaalsContact O-N 3.08Å |
| 325 | R | 34 | Very low | 38.4 | Very low | 222 Ų | 222 | 110.7 Ų | 110.7 | 84% | 0.838 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -89.7 | -28.5 | -174.2 | -142.5 | 171.8 | -172.6 | 163.7 | 1.7 | 113.4 | N323 | N323-R325 PolarHBondContact O-N 3.46Å |
| 326 | K | 36.7 | Very low | 37.6 | Very low | 142 Ų | 142 | 114.5 Ų | 114.5 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -96.5 | -16.7 | 178.5 | -97.2 | -173.3 | 179.1 | 180 | 0 | 114.7 | A328 T329 L330 | K326-A328 PolarHBondContact O-N 3.24Å; K326-A328 VanDerWaalsContact O-N 3.15Å; K326-T329 CarbonylContact O-C 3.57Å; K326-T329 PolarHBondContact O-N 2.56Å; K326-L330 WeakPolarHBondContact O-CB 3.5Å; K326-L330 PolarHBondContact O-N 2.85Å |
| 327 | Q | 35.1 | Very low | 37.3 | Very low | 115 Ų | 115 | 114.4 Ų | 114.4 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -55.7 | -29.4 | 165 | -86.8 | 178.1 | -0.6 | 0 | 0 | 111.7 | N323 K331 | N323-Q327 HydrophobicContact CB-CG 4.43Å; N323-Q327 VanDerWaalsContact O-CB 3.3Å; N323-Q327 WeakPolarHBondContact O-CB 3.47Å; N323-Q327 VanDerWaalsContact O-CG 3.26Å; N323-Q327 WeakPolarHBondContact O-CG 3.32Å; N323-Q327 PolarHBondContact O-N 2.99Å; N323-Q327 VanDerWaalsContact O-N 3.09Å; Q327-K331 WeakPolarHBondContact O-CB 3.34Å; Q327-K331 WeakPolarHBondContact O-CG 3.31Å; Q327-K331 PolarHBondContact O-N 2.84Å |
| 328 | A | 38.8 | Very low | 37.2 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 49% | 0.488 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69 | -43.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | K326 K331 C332 | K326-A328 PolarHBondContact O-N 3.24Å; K326-A328 VanDerWaalsContact O-N 3.15Å; A328-K331 WeakPolarHBondContact O-CB 3.5Å; A328-K331 PolarHBondContact O-N 2.95Å; A328-C332 PolarHBondContact O-N 2.9Å |
| 329 | T | 37.6 | Very low | 37.6 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69 | -41.7 | 178.1 | -41.5 | 0 | 0 | 0 | 0 | 111.8 | K326 K331 C332 V333 | K326-T329 CarbonylContact O-C 3.57Å; K326-T329 PolarHBondContact O-N 2.56Å; T329-K331 VanDerWaalsContact C-N 3.35Å; T329-C332 WeakPolarHBondContact O-CA 3.38Å; T329-C332 VanDerWaalsContact O-CB 3.31Å; T329-C332 WeakPolarHBondContact O-CB 3.23Å; T329-C332 PolarHBondContact O-N 2.88Å; T329-C332 VanDerWaalsContact O-N 3.1Å; T329-V333 WeakPolarHBondContact O-CG2 3.42Å; T329-V333 PolarHBondContact O-N 3.25Å |
| 330 | L | 39.4 | Very low | 37.7 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 49% | 0.492 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.3 | -40 | 173.8 | -131.6 | 83 | 0 | 0 | 0 | 110.3 | K326 C332 V333 L334 | K326-L330 WeakPolarHBondContact O-CB 3.5Å; K326-L330 PolarHBondContact O-N 2.85Å; L330-C332 VanDerWaalsContact C-N 3.29Å; L330-C332 PolarHBondContact O-N 3.18Å; L330-V333 PolarHBondContact O-N 3.06Å; L330-L334 VanDerWaalsContact O-CB 3.3Å; L330-L334 WeakPolarHBondContact O-CB 3.1Å; L330-L334 PolarHBondContact O-N 2.81Å |
| 331 | K | 37.9 | Very low | 37.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57.8 | -38.4 | 169.1 | -91.7 | -179.7 | 173.7 | 178.4 | 0 | 112.6 | Q327 A328 T329 L334 R335 | Q327-K331 WeakPolarHBondContact O-CB 3.34Å; Q327-K331 WeakPolarHBondContact O-CG 3.31Å; Q327-K331 PolarHBondContact O-N 2.84Å; A328-K331 WeakPolarHBondContact O-CB 3.5Å; A328-K331 PolarHBondContact O-N 2.95Å; T329-K331 VanDerWaalsContact C-N 3.35Å; K331-L334 WeakPolarHBondContact O-CB 3.18Å; K331-L334 PolarHBondContact O-N 2.82Å; K331-R335 PolarHBondContact O-N 2.85Å |
| 332 | C | 41.1 | Very low | 38 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 57% | 0.574 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.4 | -45.1 | 176 | -102.8 | 0 | 0 | 0 | 0 | 112.3 | A328 T329 L330 L334 R335 F336 | A328-C332 PolarHBondContact O-N 2.9Å; T329-C332 WeakPolarHBondContact O-CA 3.38Å; T329-C332 VanDerWaalsContact O-CB 3.31Å; T329-C332 WeakPolarHBondContact O-CB 3.23Å; T329-C332 PolarHBondContact O-N 2.88Å; T329-C332 VanDerWaalsContact O-N 3.1Å; L330-C332 VanDerWaalsContact C-N 3.29Å; L330-C332 PolarHBondContact O-N 3.18Å; C332-L334 VanDerWaalsContact C-N 3.31Å; C332-R335 PolarHBondContact O-N 3.14Å; C332-F336 PolarHBondContact O-N 3.49Å; C332-F336 VanDerWaalsContact O-N 3.14Å |
| 333 | V | 42.6 | Very low | 38.7 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.2 | -37.5 | 174.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | T329 L330 F336 L337 | T329-V333 WeakPolarHBondContact O-CG2 3.42Å; T329-V333 PolarHBondContact O-N 3.25Å; L330-V333 PolarHBondContact O-N 3.06Å; V333-F336 WeakPolarHBondContact O-CB 3.17Å; V333-F336 PolarHBondContact O-N 3.46Å; V333-F336 VanDerWaalsContact O-N 3.14Å; V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 PolarHBondContact O-N 3.2Å |
| 334 | L | 41.4 | Very low | 39.4 | Very low | 49 Ų | 49 | 126.5 Ų | 126.5 | 26% | 0.257 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 173 | -123.5 | 80.9 | 0 | 0 | 0 | 111.5 | L330 K331 C332 F336 L337 V338 F344 | L330-L334 VanDerWaalsContact O-CB 3.3Å; L330-L334 WeakPolarHBondContact O-CB 3.1Å; L330-L334 PolarHBondContact O-N 2.81Å; K331-L334 WeakPolarHBondContact O-CB 3.18Å; K331-L334 PolarHBondContact O-N 2.82Å; C332-L334 VanDerWaalsContact C-N 3.31Å; L334-F336 PolarHBondContact O-N 3.28Å; L334-L337 PolarHBondContact O-N 3.16Å; L334-V338 VanDerWaalsContact O-CG2 3.23Å; L334-V338 WeakPolarHBondContact O-CG2 3.5Å; L334-V338 PolarHBondContact O-N 2.77Å; L334-F344 HydrophobicContact CD2-CE2 4.2Å |
| 335 | R | 41.7 | Very low | 40.2 | Very low | 211 Ų | 211 | 121.1 Ų | 121.1 | 80% | 0.796 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.6 | -35.5 | 174.8 | -103.8 | -176.4 | -176.3 | 168.4 | 1.4 | 111.9 | K331 C332 | K331-R335 PolarHBondContact O-N 2.85Å; C332-R335 PolarHBondContact O-N 3.14Å |
| 336 | F | 38.7 | Very low | 41 | Very low | 154 Ų | 154 | 118.4 Ų | 118.4 | 68% | 0.675 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -75.5 | -36.9 | 179.6 | -151.6 | -91.7 | 0 | 0 | 0 | 112.6 | C332 V333 L334 F339 | C332-F336 PolarHBondContact O-N 3.49Å; C332-F336 VanDerWaalsContact O-N 3.14Å; V333-F336 WeakPolarHBondContact O-CB 3.17Å; V333-F336 PolarHBondContact O-N 3.46Å; V333-F336 VanDerWaalsContact O-N 3.14Å; L334-F336 PolarHBondContact O-N 3.28Å; F336-F339 VanDerWaalsContact O-CB 3.28Å; F336-F339 WeakPolarHBondContact O-CB 3.26Å; F336-F339 PolarHBondContact O-N 3.49Å |
| 337 | L | 41.6 | Very low | 41.5 | Very low | 75 Ų | 75 | 114 Ų | 114 | 39% | 0.393 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -72.6 | -33.9 | 175.8 | -76 | 167.5 | 0 | 0 | 0 | 112.6 | V333 L334 F339 Y340 | V333-L337 HydrophobicContact CG1-CD1 4.16Å; V333-L337 PolarHBondContact O-N 3.2Å; L334-L337 PolarHBondContact O-N 3.16Å; L337-F339 PolarHBondContact O-N 3.29Å; L337-Y340 CarbonylContact O-C 3.59Å; L337-Y340 PolarHBondContact O-N 3.09Å |
| 338 | V | 39.9 | Very low | 42.1 | Very low | 100 Ų | 100 | 112.3 Ų | 112.3 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.9 | -27.5 | 172 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | L334 Y340 | L334-V338 VanDerWaalsContact O-CG2 3.23Å; L334-V338 WeakPolarHBondContact O-CG2 3.5Å; L334-V338 PolarHBondContact O-N 2.77Å; V338-Y340 PolarHBondContact O-N 2.96Å |
| 339 | F | 43.7 | Very low | 42.6 | Very low | 160 Ų | 160 | 116 Ų | 116 | 70% | 0.702 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -25.3 | 175.7 | -160.5 | -97.6 | 0 | 0 | 0 | 112.9 | F336 L337 | F336-F339 VanDerWaalsContact O-CB 3.28Å; F336-F339 WeakPolarHBondContact O-CB 3.26Å; F336-F339 PolarHBondContact O-N 3.49Å; L337-F339 PolarHBondContact O-N 3.29Å |
| 340 | Y | 33.3 | Very low | 43.1 | Very low | 161 Ų | 161 | 116.2 Ų | 116.2 | 63% | 0.631 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -110.7 | 66.1 | 179.5 | -77.6 | -81 | 0 | 0 | 0 | 111.6 | L337 V338 T342 | L337-Y340 CarbonylContact O-C 3.59Å; L337-Y340 PolarHBondContact O-N 3.09Å; V338-Y340 PolarHBondContact O-N 2.96Å; Y340-T342 VanDerWaalsContact C-N 3.28Å; Y340-T342 PolarHBondContact O-N 3.33Å; Y340-T342 PolarHBondContact O-OG1 2.87Å |
| 341 | K | 37.1 | Very low | 43.5 | Very low | 209 Ų | 209 | 114.2 Ų | 114.2 | 91% | 0.909 | 55% | 0.554 | S | S | * | * | trans | 11.9 | 57.4 | 160.5 | -72.5 | -169.3 | 173.6 | -175.8 | 0 | 117.5 | ||||
| 342 | T | 40 | Very low | 43.7 | Very low | 92 Ų | 92 | 113.3 Ų | 113.3 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | trans | -124.5 | 139.1 | 172.1 | 38.8 | 0 | 0 | 0 | 0 | 109.2 | Y340 F344 | Y340-T342 VanDerWaalsContact C-N 3.28Å; Y340-T342 PolarHBondContact O-N 3.33Å; Y340-T342 PolarHBondContact O-OG1 2.87Å; T342-F344 PolarHBondContact O-N 3.22Å; T342-F344 VanDerWaalsContact O-N 3.13Å | ||
| 343 | S | 46 | Very low | 43.8 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | trans | -57.3 | 113.4 | -165.7 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | S345 R346 | S343-S345 PolarHBondContact O-N 3.3Å; S343-S345 VanDerWaalsContact O-N 3.08Å; S343-R346 PolarHBondContact O-N 3.12Å | ||
| 344 | F | 49.5 | Very low | 43.8 | Very low | 130 Ų | 130 | 116.8 Ų | 116.8 | 57% | 0.57 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -47.5 | -36.8 | -176.4 | -179 | -99.1 | 0 | 0 | 0 | 114 | L334 T342 R346 M348 | L334-F344 HydrophobicContact CD2-CE2 4.2Å; T342-F344 PolarHBondContact O-N 3.22Å; T342-F344 VanDerWaalsContact O-N 3.13Å; F344-R346 PolarHBondContact O-N 3.37Å; F344-M348 HydrophobicContact CE1-CG 4.35Å; F344-M348 HydrophobicContact CZ-CG 4.46Å; F344-M348 WeakPolarHBondContact O-CG 3.15Å; F344-M348 PolarHBondContact O-N 3.2Å |
| 345 | S | 48.5 | Very low | 43.6 | Very low | 82 Ų | 82 | 118.8 Ų | 118.8 | 57% | 0.573 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.7 | -33.9 | -174.3 | -144 | 0 | 0 | 0 | 0 | 113.3 | S343 Q349 | S343-S345 PolarHBondContact O-N 3.3Å; S343-S345 VanDerWaalsContact O-N 3.08Å; S345-Q349 PolarHBondContact O-N 3.2Å |
| 346 | R | 49.9 | Very low | 43.2 | Very low | 165 Ų | 165 | 112.5 Ų | 112.5 | 62% | 0.623 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.6 | -37.4 | -174.7 | -119.3 | 174.9 | 171.8 | 147.7 | -3.2 | 112.9 | S343 F344 M348 Q349 I350 | S343-R346 PolarHBondContact O-N 3.12Å; F344-R346 PolarHBondContact O-N 3.37Å; R346-M348 VanDerWaalsContact C-N 3.31Å; R346-Q349 PolarHBondContact O-N 2.94Å; R346-I350 WeakPolarHBondContact O-CG1 3.42Å; R346-I350 PolarHBondContact O-N 3.45Å; R346-I350 VanDerWaalsContact O-N 3.13Å |
| 347 | I | 48.2 | Very low | 42.9 | Very low | 49 Ų | 49 | 111.3 Ų | 111.3 | 25% | 0.251 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66 | -38.6 | 175.2 | -62.9 | 174.8 | 0 | 0 | 0 | 110.1 | I350 I351 | I347-I350 PolarHBondContact O-N 3.29Å; I347-I351 HydrophobicContact CG2-CD1 3.7Å; I347-I351 HydrophobicContact CG2-CG1 4.31Å; I347-I351 WeakPolarHBondContact O-CB 3.45Å; I347-I351 VanDerWaalsContact O-CG1 3.32Å; I347-I351 WeakPolarHBondContact O-CG1 3.46Å; I347-I351 PolarHBondContact O-N 2.95Å |
| 348 | M | 46.5 | Very low | 42.4 | Very low | 81 Ų | 81 | 113.8 Ų | 113.8 | 40% | 0.399 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63 | -41.2 | 175.2 | -71.9 | -65.3 | -88.2 | 0 | 0 | 111.9 | F344 R346 I351 Q352 | F344-M348 HydrophobicContact CE1-CG 4.35Å; F344-M348 HydrophobicContact CZ-CG 4.46Å; F344-M348 WeakPolarHBondContact O-CG 3.15Å; F344-M348 PolarHBondContact O-N 3.2Å; R346-M348 VanDerWaalsContact C-N 3.31Å; M348-I351 PolarHBondContact O-N 2.94Å; M348-Q352 WeakPolarHBondContact O-CB 3.11Å; M348-Q352 PolarHBondContact O-N 3.47Å |
| 349 | Q | 50.8 | Low | 42.2 | Very low | 135 Ų | 135 | 112.4 Ų | 112.4 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.4 | -42.6 | 174.5 | -84.9 | -179.1 | -14.7 | 0 | 0 | 113 | S345 R346 Q352 Y353 | S345-Q349 PolarHBondContact O-N 3.2Å; R346-Q349 PolarHBondContact O-N 2.94Å; Q349-Q352 PolarHBondContact O-N 3Å; Q349-Y353 WeakPolarHBondContact O-CB 3.08Å; Q349-Y353 PolarHBondContact O-N 3.31Å |
| 350 | I | 48.2 | Very low | 41.8 | Very low | 82 Ų | 82 | 110.6 Ų | 110.6 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -45.7 | 178.7 | -65.4 | 168 | 0 | 0 | 0 | 110.5 | R346 I347 Q352 Y353 V354 | R346-I350 WeakPolarHBondContact O-CG1 3.42Å; R346-I350 PolarHBondContact O-N 3.45Å; R346-I350 VanDerWaalsContact O-N 3.13Å; I347-I350 PolarHBondContact O-N 3.29Å; I350-Q352 VanDerWaalsContact C-N 3.35Å; I350-Q352 PolarHBondContact O-N 3.45Å; I350-Y353 PolarHBondContact O-N 3.49Å; I350-V354 HydrophobicContact CG2-CG2 4.39Å; I350-V354 WeakPolarHBondContact O-CB 3.33Å; I350-V354 VanDerWaalsContact O-CG2 3.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.35Å; I350-V354 PolarHBondContact O-N 2.93Å |
| 351 | I | 46 | Very low | 42 | Very low | 53 Ų | 53 | 108.1 Ų | 108.1 | 27% | 0.272 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.7 | -69.1 | 173.2 | 0 | 0 | 0 | 110.1 | I347 M348 V354 L355 | I347-I351 HydrophobicContact CG2-CD1 3.7Å; I347-I351 HydrophobicContact CG2-CG1 4.31Å; I347-I351 WeakPolarHBondContact O-CB 3.45Å; I347-I351 VanDerWaalsContact O-CG1 3.32Å; I347-I351 WeakPolarHBondContact O-CG1 3.46Å; I347-I351 PolarHBondContact O-N 2.95Å; M348-I351 PolarHBondContact O-N 2.94Å; I351-V354 PolarHBondContact O-N 2.85Å; I351-L355 HydrophobicContact CG2-CD1 3.62Å; I351-L355 HydrophobicContact CG2-CG 4.3Å; I351-L355 VanDerWaalsContact O-CB 3.29Å; I351-L355 WeakPolarHBondContact O-CB 3.49Å; I351-L355 WeakPolarHBondContact O-CG 3.44Å; I351-L355 PolarHBondContact O-N 3.33Å |
| 352 | Q | 43.4 | Very low | 42.2 | Very low | 137 Ų | 137 | 100.6 Ų | 100.6 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68 | -36.9 | 179.3 | -168 | 162.2 | -1.4 | 0 | 0 | 112.1 | M348 Q349 I350 L355 S356 | M348-Q352 WeakPolarHBondContact O-CB 3.11Å; M348-Q352 PolarHBondContact O-N 3.47Å; Q349-Q352 PolarHBondContact O-N 3Å; I350-Q352 VanDerWaalsContact C-N 3.35Å; I350-Q352 PolarHBondContact O-N 3.45Å; Q352-L355 PolarHBondContact O-N 3.38Å; Q352-S356 WeakPolarHBondContact O-CB 3.47Å; Q352-S356 PolarHBondContact O-N 3.39Å; Q352-S356 PolarHBondContact O-OG 3.5Å |
| 353 | Y | 42.3 | Very low | 42.4 | Very low | 144 Ų | 144 | 97 Ų | 97 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -46.8 | 174 | 178.9 | -100.2 | 0 | 0 | 0 | 111.7 | Q349 I350 S356 | Q349-Y353 WeakPolarHBondContact O-CB 3.08Å; Q349-Y353 PolarHBondContact O-N 3.31Å; I350-Y353 PolarHBondContact O-N 3.49Å; Y353-S356 WeakPolarHBondContact CA-OG 3.22Å; Y353-S356 PolarHBondContact O-N 2.9Å; Y353-S356 PolarHBondContact O-OG 3.21Å |
| 354 | V | 42 | Very low | 42.6 | Very low | 95 Ų | 95 | 93 Ų | 93 | 58% | 0.576 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.8 | -41.3 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | I350 I351 S356 | I350-V354 HydrophobicContact CG2-CG2 4.39Å; I350-V354 WeakPolarHBondContact O-CB 3.33Å; I350-V354 VanDerWaalsContact O-CG2 3.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.35Å; I350-V354 PolarHBondContact O-N 2.93Å; I351-V354 PolarHBondContact O-N 2.85Å; V354-S356 VanDerWaalsContact C-N 3.33Å |
| 355 | L | 39 | Very low | 42.6 | Very low | 90 Ų | 90 | 87.4 Ų | 87.4 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -72.6 | -22.5 | 176.6 | -69.7 | 172.1 | 0 | 0 | 0 | 113.6 | E318 I351 Q352 | E318-L355 WeakPolarHBondContact OE2-CD2 3.36Å; I351-L355 HydrophobicContact CG2-CD1 3.62Å; I351-L355 HydrophobicContact CG2-CG 4.3Å; I351-L355 VanDerWaalsContact O-CB 3.29Å; I351-L355 WeakPolarHBondContact O-CB 3.49Å; I351-L355 WeakPolarHBondContact O-CG 3.44Å; I351-L355 PolarHBondContact O-N 3.33Å; Q352-L355 PolarHBondContact O-N 3.38Å |
| 356 | S | 32.3 | Very low | 42.8 | Very low | 80 Ų | 80 | 83.8 Ų | 83.8 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -82.5 | -10.7 | -178.7 | 70.3 | 0 | 0 | 0 | 0 | 114.4 | Q352 Y353 V354 | Q352-S356 WeakPolarHBondContact O-CB 3.47Å; Q352-S356 PolarHBondContact O-N 3.39Å; Q352-S356 PolarHBondContact O-OG 3.5Å; Y353-S356 WeakPolarHBondContact CA-OG 3.22Å; Y353-S356 PolarHBondContact O-N 2.9Å; Y353-S356 PolarHBondContact O-OG 3.21Å; V354-S356 VanDerWaalsContact C-N 3.33Å |
| 357 | K | 33.2 | Very low | 43.1 | Very low | 128 Ų | 128 | 79 Ų | 79 | 56% | 0.557 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71.2 | 140.4 | 176.3 | -85.1 | -165.5 | 175.8 | -177.5 | 0 | 110.7 | Q359 | K357-Q359 PolarHBondContact O-N 3.34Å; K357-Q359 VanDerWaalsContact O-N 3.11Å |
| 358 | P | 30.6 | Very low | 43.3 | Very low | 128 Ų | 128 | 77.1 Ų | 77.1 | 83% | 0.831 | 39% | 0.388 | S | S | * | . | trans | -54.8 | 121 | 171.7 | -19.3 | 29.9 | 0 | 0 | 0 | 109.3 | E360 | P358-E360 PolarHBondContact O-N 3.12Š| ||
| 359 | Q | 36.1 | Very low | 43.9 | Very low | 71 Ų | 71 | 74 Ų | 74 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | trans | -73.1 | 113.2 | 179.5 | -70.6 | -179.1 | -19.4 | 0 | 0 | 109.3 | E318 K357 K361 | E318-Q359 VanDerWaalsContact C-NE2 3.32Å; E318-Q359 VanDerWaalsContact O-CD 3.25Å; E318-Q359 PolarHBondContact O-NE2 3.18Å; E318-Q359 PolarHBondContact O-OE1 3.33Å; K357-Q359 PolarHBondContact O-N 3.34Å; K357-Q359 VanDerWaalsContact O-N 3.11Å; Q359-K361 PolarHBondContact O-N 3.17Å | ||
| 360 | E | 34 | Very low | 44.4 | Very low | 122 Ų | 122 | 70.8 Ų | 70.8 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | trans | -63 | 107.8 | 162.3 | -71.2 | -174.2 | 159.2 | 0 | 0 | 106.3 | K90 P358 E362 | K90-E360 IonicContact NZ-OE1 3.35Å; K90-E360 PolarHBondContact NZ-OE1 3.16Å; P358-E360 PolarHBondContact O-N 3.12Å; E360-E362 HydrophobicContact CB-CG 4.26Å; E360-E362 PolarHBondContact O-N 3.44Å | ||
| 361 | K | 38.7 | Very low | 45.4 | Very low | 109 Ų | 109 | 67 Ų | 67 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | trans | -73.9 | 72.2 | 180 | -73.4 | -175.9 | 179.7 | 169 | 0 | 109.7 | F172 L317 Q359 | F172-K361 WeakPolarHBondContact CD1-O 3.31Å; L317-K361 HydrophobicContact CD2-CB 3.63Å; L317-K361 HydrophobicContact CD2-CG 3.8Å; Q359-K361 PolarHBondContact O-N 3.17Å | ||
| 362 | E | 41.4 | Very low | 46.4 | Very low | 51 Ų | 51 | 68.2 Ų | 68.2 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | trans | -71.6 | 134.9 | -179 | -63.7 | -168.8 | 136.4 | 0 | 0 | 109.9 | F172 V291 R294 I315 E360 | F172-E362 HydrophobicContact CE1-CB 4.27Å; V291-E362 WeakPolarHBondContact CG2-OE1 3.29Å; R294-E362 IonicContact CZ-OE2 2.74Å; R294-E362 IonicContact NH2-OE1 3.09Å; R294-E362 PolarHBondContact NH2-OE1 3.28Å; R294-E362 IonicContact NH2-OE2 3.36Å; R294-E362 PolarHBondContact NH2-OE2 3.37Å; I315-E362 WeakPolarHBondContact CG2-O 3.21Å; E360-E362 HydrophobicContact CB-CG 4.26Å; E360-E362 PolarHBondContact O-N 3.44Å | ||
| 363 | S | 44.1 | Very low | 47.8 | Very low | 15 Ų | 15 | 67 Ų | 67 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | trans | -82.9 | 170.7 | 165.4 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | F172 V365 | F172-S363 WeakPolarHBondContact CE2-OG 3.23Å; F172-S363 WeakPolarHBondContact CZ-OG 3.43Å; S363-V365 PolarHBondContact O-N 3.33Å | ||
| 364 | S | 49.7 | Very low | 49.8 | Very low | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | trans | -38.2 | 121.2 | -173.9 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | D313 S366 R367 | D313-S364 PolarHBondContact O-OG 3.19Å; S364-S366 PolarHBondContact O-N 3Å; S364-R367 WeakPolarHBondContact O-CB 3.35Å; S364-R367 PolarHBondContact O-N 3.36Å | ||
| 365 | V | 50.5 | Low | 52 | Low | 12 Ų | 12 | 58 Ų | 58 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -18.6 | -169.1 | 170.8 | 0 | 0 | 0 | 0 | 115.1 | L285 R294 S363 I369 | L285-V365 HydrophobicContact CD1-CG1 4.31Å; L285-V365 HydrophobicContact CD2-CG1 3.78Å; L285-V365 HydrophobicContact CG-CG1 3.68Å; R294-V365 VanDerWaalsContact CD-CG1 3.44Å; S363-V365 PolarHBondContact O-N 3.33Å; V365-I369 WeakPolarHBondContact O-CD1 3.46Å |
| 366 | S | 51.3 | Low | 54.5 | Low | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.5 | 178.5 | 62.6 | 0 | 0 | 0 | 0 | 114.9 | F261 S364 | F261-S366 WeakPolarHBondContact CE1-OG 3.26Å; S364-S366 PolarHBondContact O-N 3Å |
| 367 | R | 57.7 | Low | 57.4 | Low | 64 Ų | 64 | 50.7 Ų | 50.7 | 24% | 0.242 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -83.6 | 148.6 | 177.9 | -62.9 | -173.2 | -179 | -171.9 | 1 | 110.3 | M168 S364 I369 | M168-R367 HydrophobicContact CE-CB 3.82Å; M168-R367 HydrophobicContact SD-CB 4.24Å; S364-R367 WeakPolarHBondContact O-CB 3.35Å; S364-R367 PolarHBondContact O-N 3.36Å; R367-I369 PolarHBondContact O-N 3.29Å |
| 368 | G | 50.6 | Low | 60.4 | Low | 10 Ų | 10 | 44.7 Ų | 44.7 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 75 | -7.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 369 | I | 60.1 | Low | 63.5 | Low | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | trans | -91.4 | 127.7 | 180 | -57.6 | -178.5 | 0 | 0 | 0 | 111.3 | L285 V298 V365 R367 F371 R395 | L285-I369 HydrophobicContact CD2-CD1 4.26Å; V298-I369 HydrophobicContact CB-CG2 4.28Å; V298-I369 HydrophobicContact CG1-CG2 3.49Å; V298-I369 VanDerWaalsContact CG1-CG2 3.49Å; V298-I369 HydrophobicContact CG2-CD1 4.11Å; V298-I369 HydrophobicContact CG2-CG2 3.8Å; V365-I369 WeakPolarHBondContact O-CD1 3.46Å; R367-I369 PolarHBondContact O-N 3.29Å; I369-F371 HydrophobicContact CB-CE2 4.09Å; I369-F371 HydrophobicContact CB-CZ 4.12Å; I369-F371 HydrophobicContact CG2-CD1 4.48Å; I369-F371 HydrophobicContact CG2-CE1 4Å; I369-F371 HydrophobicContact CG2-CE2 4.06Å; I369-F371 HydrophobicContact CG2-CZ 3.78Å; I369-R395 PolarHBondContact O-NH1 3.16Å | ||
| 370 | D | 60.8 | Low | 66.4 | Low | 67 Ų | 67 | 35.2 Ų | 35.2 | 36% | 0.358 | 18% | 0.181 | S | C | . | . | trans | -83.3 | 119.2 | 173.9 | -159.8 | 27.2 | 0 | 0 | 0 | 111.9 | Q95 N302 R398 | Q95-D370 VanDerWaalsContact NE2-CB 3.29Å; N302-D370 PolarHBondContact ND2-O 3.4Å; D370-R398 IonicContact OD1-CZ 2.8Å; D370-R398 IonicContact OD1-NH1 2.78Å; D370-R398 PolarHBondContact OD1-NH1 3.31Å; D370-R398 IonicContact OD1-NH2 3.62Å | ||
| 371 | F | 70.1 | Confident | 69.2 | Low | 3 Ų | 3 | 29.6 Ų | 29.6 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | trans | -108.3 | 126.3 | 176.6 | -62 | -78.1 | 0 | 0 | 0 | 110 | I259 V298 F301 L309 I369 V374 R398 | I259-F371 HydrophobicContact CD1-CB 4Å; I259-F371 HydrophobicContact CD1-CD1 3.92Å; I259-F371 HydrophobicContact CD1-CD2 3.56Å; I259-F371 HydrophobicContact CD1-CE1 4.27Å; I259-F371 HydrophobicContact CD1-CE2 3.94Å; I259-F371 HydrophobicContact CD1-CG 3.55Å; I259-F371 HydrophobicContact CD1-CZ 4.27Å; V298-F371 HydrophobicContact CG1-CD1 4.38Å; V298-F371 HydrophobicContact CG1-CE1 4.21Å; V298-F371 HydrophobicContact CG2-CE1 4.14Å; F301-F371 AromaticContact CD1-CD1 3.8Å; F301-F371 HydrophobicContact CD1-CD1 3.8Å; F301-F371 HydrophobicContact CE1-CB 4.31Å; F301-F371 AromaticContact CE1-CD1 3.9Å; F301-F371 HydrophobicContact CE1-CD1 3.9Å; F301-F371 HydrophobicContact CE1-CG 4.47Å; L309-F371 HydrophobicContact CD2-CD1 4Å; L309-F371 HydrophobicContact CD2-CE1 3.24Å; L309-F371 HydrophobicContact CD2-CZ 3.76Å; I369-F371 HydrophobicContact CB-CE2 4.09Å; I369-F371 HydrophobicContact CB-CZ 4.12Å; I369-F371 HydrophobicContact CG2-CD1 4.48Å; I369-F371 HydrophobicContact CG2-CE1 4Å; I369-F371 HydrophobicContact CG2-CE2 4.06Å; I369-F371 HydrophobicContact CG2-CZ 3.78Å; F371-V374 HydrophobicContact CB-CG2 3.38Å; F371-V374 HydrophobicContact CG-CG2 4.34Å; F371-R398 PolarHBondContact O-NH1 3.04Å; F371-R398 VanDerWaalsContact O-NH1 3.15Å | ||
| 372 | N | 67.7 | Low | 71.8 | Confident | 78 Ų | 78 | 24.4 Ų | 24.4 | 42% | 0.417 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 131 | -176.9 | -67.8 | -5.3 | 0 | 0 | 0 | 111.2 | K257 N302 V374 | K257-N372 WeakPolarHBondContact CD-O 3.09Å; K257-N372 PolarHBondContact NZ-O 3.36Å; N302-N372 PolarHBondContact OD1-N 3.07Å; N372-V374 PolarHBondContact O-N 3.46Å |
| 373 | N | 72.5 | Confident | 74.2 | Confident | 111 Ų | 111 | 22 Ų | 22 | 59% | 0.594 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 42.1 | 172 | -65.3 | -20.4 | 0 | 0 | 0 | 114.9 | S375 N401 | N373-S375 PolarHBondContact O-N 3.07Å; N373-N401 PolarHBondContact OD1-ND2 3.34Å |
| 374 | V | 84.3 | Confident | 76.2 | Confident | 10 Ų | 10 | 25.8 Ų | 25.8 | 6% | 0.061 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 113.9 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | I259 F301 F371 N372 N376 V377 R395 T396 | I259-V374 HydrophobicContact CD1-CB 4.49Å; I259-V374 HydrophobicContact CD1-CG1 4.02Å; I259-V374 HydrophobicContact CD1-CG2 3.64Å; I259-V374 HydrophobicContact CG1-CG1 3.96Å; I259-V374 HydrophobicContact CG1-CG2 4.22Å; F301-V374 HydrophobicContact CE1-CG2 4.16Å; F371-V374 HydrophobicContact CB-CG2 3.38Å; F371-V374 HydrophobicContact CG-CG2 4.34Å; N372-V374 PolarHBondContact O-N 3.46Å; V374-N376 VanDerWaalsContact CG1-O 3.3Å; V374-N376 WeakPolarHBondContact CG1-O 3.47Å; V374-V377 HydrophobicContact CG1-CG2 4.21Å; V374-R395 WeakPolarHBondContact CB-O 3.44Å; V374-T396 WeakPolarHBondContact O-CB 3.23Å; V374-T396 PolarHBondContact O-OG1 3.22Å |
| 375 | S | 87.2 | Confident | 77.8 | Confident | 41 Ų | 41 | 27.3 Ų | 27.3 | 29% | 0.287 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -37.6 | 177.6 | -48.8 | 0 | 0 | 0 | 0 | 112 | K255 K257 N373 T396 G403 T404 | K255-S375 WeakPolarHBondContact O-CB 3.38Å; K257-S375 PolarHBondContact O-N 3.42Å; N373-S375 PolarHBondContact O-N 3.07Å; S375-T396 PolarHBondContact O-OG1 3.37Å; S375-G403 WeakPolarHBondContact O-CA 3.42Å; S375-T404 PolarHBondContact O-N 3.47Å |
| 376 | N | 92.8 | Very high | 79.4 | Confident | 16 Ų | 16 | 27 Ų | 27 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.9 | -173.6 | -44.8 | -70.9 | 0 | 0 | 0 | 112.7 | I254 K255 K257 S258 I259 V374 T404 | I254-N376 HydrophobicContact CG2-CB 4.15Å; I254-N376 VanDerWaalsContact CG2-ND2 3.35Å; I254-N376 WeakPolarHBondContact CG2-ND2 3.29Å; K255-N376 PolarHBondContact O-ND2 2.68Å; K257-N376 PolarHBondContact O-N 2.95Å; S258-N376 VanDerWaalsContact CA-O 3.3Å; S258-N376 WeakPolarHBondContact CA-O 3.47Å; S258-N376 PolarHBondContact OG-ND2 2.93Å; S258-N376 VanDerWaalsContact OG-ND2 3.14Å; I259-N376 PolarHBondContact N-O 3Å; V374-N376 VanDerWaalsContact CG1-O 3.3Å; V374-N376 WeakPolarHBondContact CG1-O 3.47Å; N376-T404 CarbonylContact C-O 3.56Å; N376-T404 VanDerWaalsContact CA-O 3.23Å; N376-T404 WeakPolarHBondContact CA-O 3.45Å |
| 377 | V | 93 | Very high | 80.4 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.5 | 166.5 | 170.2 | 0 | 0 | 0 | 0 | 108.7 | I259 F261 V374 R392 R395 T396 T404 A405 L406 | I259-V377 CarbonylContact O-C 3.47Å; F261-V377 HydrophobicContact CD2-CG1 3.97Å; F261-V377 HydrophobicContact CE2-CG1 3.87Å; V374-V377 HydrophobicContact CG1-CG2 4.21Å; V377-R392 HydrophobicContact CG1-CB 4.46Å; V377-R392 WeakPolarHBondContact CG1-O 3.13Å; V377-R395 HydrophobicContact CG2-CB 3.89Å; V377-T396 HydrophobicContact CB-CG2 4.17Å; V377-T396 HydrophobicContact CG2-CG2 3.72Å; V377-T404 PolarHBondContact N-O 3.33Å; V377-A405 CarbonylContact O-C 3.48Å; V377-A405 VanDerWaalsContact O-CA 3.25Å; V377-A405 WeakPolarHBondContact O-CA 3.5Å; V377-L406 PolarHBondContact O-N 3.22Å |
| 378 | I | 95.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 109.3 | -176.9 | -53.2 | 178.8 | 0 | 0 | 0 | 108.9 | L245 F249 I254 I259 I260 F261 F380 L406 F408 | L245-I378 HydrophobicContact CD1-CD1 3.76Å; L245-I378 HydrophobicContact CD1-CG2 4.01Å; F249-I378 HydrophobicContact CZ-CD1 4.2Å; I254-I378 HydrophobicContact CD1-CD1 3.64Å; I254-I378 HydrophobicContact CG2-CD1 4.42Å; I259-I378 PolarHBondContact O-N 3.28Å; I260-I378 CarbonylContact C-O 3.5Å; I260-I378 VanDerWaalsContact CA-O 3.3Å; I260-I378 WeakPolarHBondContact CA-O 3.42Å; I260-I378 HydrophobicContact CB-CB 4.46Å; I260-I378 HydrophobicContact CD1-CD1 4.44Å; I260-I378 HydrophobicContact CG1-CB 4.19Å; I260-I378 HydrophobicContact CG1-CD1 4.21Å; I260-I378 HydrophobicContact CG2-CB 4.26Å; I260-I378 HydrophobicContact CG2-CG2 4.26Å; F261-I378 PolarHBondContact N-O 3.11Å; I378-F380 PolarHBondContact O-N 2.75Å; I378-L406 CarbonylContact C-O 3.19Å; I378-L406 VanDerWaalsContact CA-O 3.3Å; I378-L406 WeakPolarHBondContact CA-O 3.48Å; I378-L406 HydrophobicContact CG1-CB 4.45Å; I378-L406 HydrophobicContact CG2-CD2 4.36Å; I378-F408 HydrophobicContact CG2-CD2 4.16Å; I378-F408 HydrophobicContact CG2-CE2 3.84Å |
| 379 | N | 95.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 88.6 | 168.3 | -62.4 | -43.6 | 0 | 0 | 0 | 108.2 | D381 R392 L406 S407 F408 | N379-D381 VanDerWaalsContact C-N 3.31Å; N379-R392 WeakPolarHBondContact OD1-CD 3.2Å; N379-R392 PolarHBondContact OD1-NH1 3.01Å; N379-L406 PolarHBondContact N-O 2.93Å; N379-S407 PolarHBondContact ND2-OG 3.07Å; N379-F408 PolarHBondContact O-N 2.88Å |
| 380 | F | 96.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -66.9 | -38.7 | 176.2 | -173.7 | -93.7 | 0 | 0 | 0 | 111.2 | K241 F242 L245 I260 F261 L262 L271 I378 F408 | K241-F380 HydrophobicContact CB-CD2 4.32Å; K241-F380 HydrophobicContact CB-CE1 4.29Å; K241-F380 HydrophobicContact CB-CE2 3.56Å; K241-F380 HydrophobicContact CB-CZ 3.54Å; K241-F380 HydrophobicContact CD-CE1 4.24Å; K241-F380 HydrophobicContact CD-CZ 4.31Å; K241-F380 WeakPolarHBondContact CD-O 3.29Å; K241-F380 WeakPolarHBondContact CE-O 3.34Å; K241-F380 PolarHBondContact NZ-O 2.96Å; F242-F380 AromaticContact CD1-CZ 3.95Å; F242-F380 HydrophobicContact CD1-CZ 3.95Å; F242-F380 AromaticContact CD2-CZ 3.85Å; F242-F380 HydrophobicContact CD2-CZ 3.85Å; F242-F380 HydrophobicContact CE1-CE1 4.32Å; F242-F380 AromaticContact CE1-CZ 3.85Å; F242-F380 HydrophobicContact CE1-CZ 3.85Å; F242-F380 HydrophobicContact CE2-CE1 4.09Å; F242-F380 AromaticContact CE2-CZ 3.72Å; F242-F380 HydrophobicContact CE2-CZ 3.72Å; F242-F380 AromaticContact CG-CZ 3.95Å; F242-F380 HydrophobicContact CG-CZ 3.95Å; F242-F380 AromaticContact CZ-CE1 3.9Å; F242-F380 HydrophobicContact CZ-CE1 3.9Å; F242-F380 AromaticContact CZ-CZ 3.71Å; F242-F380 HydrophobicContact CZ-CZ 3.71Å; L245-F380 HydrophobicContact CB-CE2 4.47Å; L245-F380 HydrophobicContact CD2-CD2 3.79Å; L245-F380 HydrophobicContact CD2-CE2 3.96Å; I260-F380 HydrophobicContact CG2-CB 3.76Å; F261-F380 PolarHBondContact O-N 3.36Å; L262-F380 HydrophobicContact CD2-CD1 3.53Å; L262-F380 HydrophobicContact CD2-CE1 4.07Å; L262-F380 HydrophobicContact CD2-CG 4.24Å; L262-F380 HydrophobicContact CG-CB 4.1Å; L262-F380 HydrophobicContact CG-CD1 4Å; L262-F380 HydrophobicContact CG-CG 4.37Å; L271-F380 HydrophobicContact CD1-CE2 4.31Å; I378-F380 PolarHBondContact O-N 2.75Å; F380-F408 HydrophobicContact CD2-CD2 4.46Å; F380-F408 WeakPolarHBondContact O-CB 3.27Å |
| 381 | D | 94.1 | Very high | 84.8 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -104.7 | 126.6 | 164 | -64.1 | -33.4 | 0 | 0 | 0 | 109.6 | K241 F261 L262 Q263 R267 N379 R392 | K241-D381 IonicContact NZ-OD1 2.85Å; F261-D381 PolarHBondContact O-N 3.29Å; L262-D381 WeakPolarHBondContact CA-OD2 3.42Å; Q263-D381 HydrophobicContact CB-CB 4.43Å; Q263-D381 HydrophobicContact CG-CB 3.69Å; Q263-D381 PolarHBondContact N-OD2 2.85Å; R267-D381 IonicContact CZ-OD1 2.76Å; R267-D381 IonicContact CZ-OD2 2.8Å; R267-D381 IonicContact NE-OD1 2.74Å; R267-D381 PolarHBondContact NE-OD1 2.95Å; R267-D381 IonicContact NE-OD2 3.1Å; R267-D381 PolarHBondContact NE-OD2 2.92Å; R267-D381 IonicContact NH2-OD1 3.42Å; R267-D381 PolarHBondContact NH2-OD1 2.82Å; R267-D381 IonicContact NH2-OD2 3.82Å; N379-D381 VanDerWaalsContact C-N 3.31Å; D381-R392 PolarHBondContact O-NH1 3.21Å |
| 382 | F | 93.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -61.3 | 132.5 | 178.5 | -157 | -92.1 | 0 | 0 | 0 | 109.8 | Y389 F408 D413 V417 V420 | F382-Y389 HydrophobicContact CE2-CE2 4.36Å; F382-Y389 HydrophobicContact CZ-CD2 4.23Å; F382-Y389 HydrophobicContact CZ-CE2 4.34Å; F382-F408 WeakPolarHBondContact CB-O 3.1Å; F382-F408 PolarHBondContact N-O 3.39Å; F382-D413 HydrophobicContact CB-CB 4Å; F382-V417 HydrophobicContact CD1-CG2 4Å; F382-V417 HydrophobicContact CD2-CG2 3.86Å; F382-V417 HydrophobicContact CE1-CB 4.36Å; F382-V417 HydrophobicContact CE1-CG2 3.9Å; F382-V417 HydrophobicContact CE2-CG2 3.75Å; F382-V417 HydrophobicContact CG-CG2 4Å; F382-V417 HydrophobicContact CZ-CB 4.2Å; F382-V417 HydrophobicContact CZ-CG2 3.78Å; F382-V420 HydrophobicContact CE1-CB 4.31Å; F382-V420 HydrophobicContact CE1-CG2 3.81Å; F382-V420 HydrophobicContact CZ-CB 4.13Å; F382-V420 HydrophobicContact CZ-CG1 4.39Å; F382-V420 HydrophobicContact CZ-CG2 4.05Å | ||
| 383 | P | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -63.2 | 145.9 | 179.4 | 23.2 | -31.6 | 0 | 0 | 0 | 111.4 | E388 Y389 | P383-E388 HydrophobicContact CB-CB 3.66Å; P383-Y389 HydrophobicContact CG-CD2 3.59Å; P383-Y389 HydrophobicContact CG-CG 4.08Å | ||
| 384 | K | 86.8 | Confident | 86.5 | Confident | 95 Ų | 95 | 18.5 Ų | 18.5 | 41% | 0.413 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -79.3 | -30.6 | -177.8 | -68.2 | 174.6 | -175.4 | 168.4 | 0 | 110.7 | E388 Y416 R419 | K384-E388 PolarHBondContact N-OE2 2.69Å; K384-Y416 HydrophobicContact CB-CE1 4.31Å; K384-Y416 HydrophobicContact CG-CE1 4.46Å; K384-Y416 HydrophobicContact CG-CE2 4.47Å; K384-Y416 WeakPolarHBondContact O-CD1 3.26Å; K384-R419 PolarHBondContact O-NH2 3.1Å |
| 385 | T | 83.1 | Confident | 86.2 | Confident | 38 Ų | 38 | 18.6 Ų | 18.6 | 23% | 0.233 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -114.2 | 154.5 | -176.9 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | E387 E388 Y389 | T385-E387 VanDerWaalsContact C-N 3.26Å; T385-E387 VanDerWaalsContact CB-OE2 3.32Å; T385-E387 WeakPolarHBondContact CB-OE2 3.48Å; T385-E388 PolarHBondContact N-OE2 3.41Å; T385-E388 VanDerWaalsContact OG1-CB 3.27Å; T385-E388 WeakPolarHBondContact OG1-CB 3.38Å; T385-E388 WeakPolarHBondContact OG1-CG 3.43Å; T385-E388 PolarHBondContact OG1-N 3.43Å; T385-E388 PolarHBondContact OG1-OE1 3.49Å; T385-Y389 PolarHBondContact O-N 3.2Å |
| 386 | V | 83.2 | Confident | 85.9 | Confident | 7 Ų | 7 | 16.8 Ų | 16.8 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71.1 | -33.8 | 178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | Y389 V390 R419 V420 V423 | V386-Y389 WeakPolarHBondContact O-CB 3.21Å; V386-Y389 PolarHBondContact O-N 3.41Å; V386-V390 HydrophobicContact CG1-CG2 4.48Å; V386-V390 WeakPolarHBondContact O-CG2 3.19Å; V386-V390 PolarHBondContact O-N 3.24Å; V386-R419 HydrophobicContact CG2-CG 3.99Å; V386-V420 HydrophobicContact CG2-CG2 4.06Å; V386-V423 HydrophobicContact CG1-CB 4.16Å; V386-V423 HydrophobicContact CG1-CG1 3.96Å; V386-V423 HydrophobicContact CG2-CB 4.34Å; V386-V423 HydrophobicContact CG2-CG2 4.13Å |
| 387 | E | 73.8 | Confident | 85 | Confident | 82 Ų | 82 | 16.3 Ų | 16.3 | 38% | 0.383 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -59.7 | -51.7 | 175.5 | -60.1 | 68.6 | -147.8 | 0 | 0 | 109.7 | T385 Y389 V390 H391 | T385-E387 VanDerWaalsContact C-N 3.26Å; T385-E387 VanDerWaalsContact CB-OE2 3.32Å; T385-E387 WeakPolarHBondContact CB-OE2 3.48Å; E387-Y389 VanDerWaalsContact C-N 3.29Å; E387-Y389 PolarHBondContact O-N 3.33Å; E387-V390 PolarHBondContact O-N 2.87Å; E387-H391 VanDerWaalsContact C-CD2 3.46Å; E387-H391 WeakPolarHBondContact O-CB 3.34Å; E387-H391 PolarHBondContact O-CD2 3.17Å; E387-H391 VanDerWaalsContact O-CG 3.3Å; E387-H391 PolarHBondContact O-N 2.83Å |
| 388 | E | 79.9 | Confident | 83.7 | Confident | 39 Ų | 39 | 18.6 Ų | 18.6 | 18% | 0.182 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -54.7 | -44 | 173 | -80.5 | 159.3 | -143.8 | 0 | 0 | 112.3 | P383 K384 T385 H391 R392 | P383-E388 HydrophobicContact CB-CB 3.66Å; K384-E388 PolarHBondContact N-OE2 2.69Å; T385-E388 PolarHBondContact N-OE2 3.41Å; T385-E388 VanDerWaalsContact OG1-CB 3.27Å; T385-E388 WeakPolarHBondContact OG1-CB 3.38Å; T385-E388 WeakPolarHBondContact OG1-CG 3.43Å; T385-E388 PolarHBondContact OG1-N 3.43Å; T385-E388 PolarHBondContact OG1-OE1 3.49Å; E388-H391 PolarHBondContact O-N 3.14Å; E388-R392 WeakPolarHBondContact O-CB 3.41Å; E388-R392 VanDerWaalsContact O-CG 3.25Å; E388-R392 WeakPolarHBondContact O-CG 3.49Å; E388-R392 PolarHBondContact O-N 3.28Å; E388-R392 IonicContact OE2-NH2 2.61Å |
| 389 | Y | 86.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -52.2 | 178.7 | -176.2 | -90.1 | 0 | 0 | 0 | 111.8 | L223 Q231 F382 P383 T385 V386 E387 H391 R392 V393 V420 L424 F433 L434 | L223-Y389 HydrophobicContact CD1-CD1 4.42Å; L223-Y389 HydrophobicContact CD1-CE1 4.05Å; Q231-Y389 PolarHBondContact OE1-OH 3.42Å; F382-Y389 HydrophobicContact CE2-CE2 4.36Å; F382-Y389 HydrophobicContact CZ-CD2 4.23Å; F382-Y389 HydrophobicContact CZ-CE2 4.34Å; P383-Y389 HydrophobicContact CG-CD2 3.59Å; P383-Y389 HydrophobicContact CG-CG 4.08Å; T385-Y389 PolarHBondContact O-N 3.2Å; V386-Y389 WeakPolarHBondContact O-CB 3.21Å; V386-Y389 PolarHBondContact O-N 3.41Å; E387-Y389 VanDerWaalsContact C-N 3.29Å; E387-Y389 PolarHBondContact O-N 3.33Å; Y389-H391 VanDerWaalsContact C-N 3.31Å; Y389-H391 PolarHBondContact O-N 3.37Å; Y389-R392 PolarHBondContact O-N 2.79Å; Y389-V393 HydrophobicContact CD1-CG2 4.32Å; Y389-V393 HydrophobicContact CE1-CG2 3.97Å; Y389-V393 HydrophobicContact CE2-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CG2 3.34Å; Y389-V393 PolarHBondContact O-N 2.86Å; Y389-V420 HydrophobicContact CD1-CG1 3.83Å; Y389-V420 HydrophobicContact CD2-CG1 4.04Å; Y389-V420 HydrophobicContact CE1-CG1 4.03Å; Y389-V420 HydrophobicContact CE2-CG1 4.24Å; Y389-V420 HydrophobicContact CG-CG1 3.83Å; Y389-V420 HydrophobicContact CG-CG2 4.39Å; Y389-L424 HydrophobicContact CD1-CD1 3.81Å; Y389-L424 HydrophobicContact CE1-CD1 3.65Å; Y389-F433 HydrophobicContact CE1-CE1 4.34Å; Y389-L434 WeakPolarHBondContact OH-CD1 3.11Å |
| 390 | V | 80.1 | Confident | 80.7 | Confident | 23 Ų | 23 | 33.6 Ų | 33.6 | 14% | 0.139 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 179.6 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | Q222 L223 V386 E387 R392 G394 L424 | Q222-V390 HydrophobicContact CB-CG1 4.29Å; Q222-V390 HydrophobicContact CB-CG2 4.38Å; L223-V390 HydrophobicContact CD1-CG2 4.42Å; L223-V390 HydrophobicContact CD2-CG1 4.35Å; L223-V390 HydrophobicContact CG-CG2 4.43Å; V386-V390 HydrophobicContact CG1-CG2 4.48Å; V386-V390 WeakPolarHBondContact O-CG2 3.19Å; V386-V390 PolarHBondContact O-N 3.24Å; E387-V390 PolarHBondContact O-N 2.87Å; V390-R392 PolarHBondContact O-N 3.2Å; V390-G394 PolarHBondContact O-N 3.29Å; V390-L424 HydrophobicContact CG2-CD2 4.38Å |
| 391 | H | 75.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 37.5 Ų | 37.5 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.1 | -34.3 | 179.5 | -71.1 | -58.3 | 0 | 0 | 0 | 114.2 | E387 E388 Y389 R395 | E387-H391 VanDerWaalsContact C-CD2 3.46Å; E387-H391 WeakPolarHBondContact O-CB 3.34Å; E387-H391 PolarHBondContact O-CD2 3.17Å; E387-H391 VanDerWaalsContact O-CG 3.3Å; E387-H391 PolarHBondContact O-N 2.83Å; E388-H391 PolarHBondContact O-N 3.14Å; Y389-H391 VanDerWaalsContact C-N 3.31Å; Y389-H391 PolarHBondContact O-N 3.37Å; H391-R395 PolarHBondContact O-NE 2.78Å |
| 392 | R | 85.4 | Confident | 78.6 | Confident | 6 Ų | 6 | 44.4 Ų | 44.4 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73 | -50.7 | 176.8 | -71.8 | -179.2 | -167.5 | 178.3 | 15.2 | 110.8 | F261 D313 V377 N379 D381 E388 Y389 V390 G394 R395 | F261-R392 HydrophobicContact CB-CG 4.47Å; F261-R392 HydrophobicContact CD1-CG 4.01Å; F261-R392 HydrophobicContact CD2-CB 3.81Å; F261-R392 HydrophobicContact CD2-CG 3.73Å; F261-R392 HydrophobicContact CE1-CG 4.12Å; F261-R392 HydrophobicContact CE2-CB 3.74Å; F261-R392 HydrophobicContact CE2-CG 3.85Å; F261-R392 HydrophobicContact CG-CB 4.4Å; F261-R392 HydrophobicContact CG-CG 3.81Å; F261-R392 HydrophobicContact CZ-CB 4.29Å; F261-R392 HydrophobicContact CZ-CG 4.05Å; D313-R392 IonicContact OD1-CZ 3.48Å; D313-R392 VanDerWaalsContact OD1-CZ 3.26Å; D313-R392 IonicContact OD1-NE 3.29Å; D313-R392 PolarHBondContact OD1-NE 3.43Å; D313-R392 VanDerWaalsContact OD1-NE 3.08Å; D313-R392 IonicContact OD1-NH2 3.91Å; D313-R392 PolarHBondContact OD1-NH2 2.83Å; D313-R392 IonicContact OD2-CZ 2.64Å; D313-R392 IonicContact OD2-NE 3.41Å; D313-R392 IonicContact OD2-NH2 3.56Å; D313-R392 PolarHBondContact OD2-NH2 3.18Å; V377-R392 HydrophobicContact CG1-CB 4.46Å; V377-R392 WeakPolarHBondContact CG1-O 3.13Å; N379-R392 WeakPolarHBondContact OD1-CD 3.2Å; N379-R392 PolarHBondContact OD1-NH1 3.01Å; D381-R392 PolarHBondContact O-NH1 3.21Å; E388-R392 WeakPolarHBondContact O-CB 3.41Å; E388-R392 VanDerWaalsContact O-CG 3.25Å; E388-R392 WeakPolarHBondContact O-CG 3.49Å; E388-R392 PolarHBondContact O-N 3.28Å; E388-R392 IonicContact OE2-NH2 2.61Å; Y389-R392 PolarHBondContact O-N 2.79Å; V390-R392 PolarHBondContact O-N 3.2Å; R392-G394 VanDerWaalsContact C-N 3.3Å; R392-G394 PolarHBondContact O-N 3.01Å; R392-R395 VanDerWaalsContact O-CB 3.32Å; R392-R395 WeakPolarHBondContact O-CB 3.33Å; R392-R395 WeakPolarHBondContact O-CG 3.42Å; R392-R395 PolarHBondContact O-N 3.09Å |
| 393 | V | 84.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.9 | -30.8 | -176.2 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | L223 L229 Y389 R395 T396 A405 | L223-V393 HydrophobicContact CD2-CB 4.11Å; L223-V393 HydrophobicContact CD2-CG1 3.94Å; L229-V393 HydrophobicContact CD1-CG1 3.89Å; L229-V393 HydrophobicContact CD2-CG1 3.36Å; L229-V393 HydrophobicContact CG-CG1 4.17Å; Y389-V393 HydrophobicContact CD1-CG2 4.32Å; Y389-V393 HydrophobicContact CE1-CG2 3.97Å; Y389-V393 HydrophobicContact CE2-CG2 4.18Å; Y389-V393 WeakPolarHBondContact O-CG2 3.34Å; Y389-V393 PolarHBondContact O-N 2.86Å; V393-R395 PolarHBondContact O-N 3.3Å; V393-T396 WeakPolarHBondContact O-CG2 3.43Å; V393-T396 PolarHBondContact O-N 3.06Å; V393-A405 HydrophobicContact CB-CB 4.43Å; V393-A405 HydrophobicContact CG1-CB 3.71Å; V393-A405 HydrophobicContact CG2-CB 3.95Å |
| 394 | G | 76.1 | Confident | 78.2 | Confident | 7 Ų | 7 | 46.6 Ų | 46.6 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 0.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | T53 V390 R392 R398 | T53-G394 PolarHBondContact OG1-O 3.15Å; V390-G394 PolarHBondContact O-N 3.29Å; R392-G394 VanDerWaalsContact C-N 3.3Å; R392-G394 PolarHBondContact O-N 3.01Å; G394-R398 PolarHBondContact O-NE 3.16Å |
| 395 | R | 77.3 | Confident | 78.5 | Confident | 13 Ų | 13 | 42.1 Ų | 42.1 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -19.6 | 172.7 | -57.4 | -68 | 151 | -175.9 | -6.1 | 112.9 | I259 F261 I369 V374 V377 H391 R392 V393 | I259-R395 HydrophobicContact CD1-CB 4.38Å; F261-R395 HydrophobicContact CZ-CG 4.27Å; I369-R395 PolarHBondContact O-NH1 3.16Å; V374-R395 WeakPolarHBondContact CB-O 3.44Å; V377-R395 HydrophobicContact CG2-CB 3.89Å; H391-R395 PolarHBondContact O-NE 2.78Å; R392-R395 VanDerWaalsContact O-CB 3.32Å; R392-R395 WeakPolarHBondContact O-CB 3.33Å; R392-R395 WeakPolarHBondContact O-CG 3.42Å; R392-R395 PolarHBondContact O-N 3.09Å; V393-R395 PolarHBondContact O-N 3.3Å |
| 396 | T | 80.7 | Confident | 79 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.012 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -111.3 | 179.4 | 173.1 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | L229 V374 S375 V377 V393 R398 G403 | L229-T396 HydrophobicContact CD1-CG2 3.64Å; V374-T396 WeakPolarHBondContact O-CB 3.23Å; V374-T396 PolarHBondContact O-OG1 3.22Å; S375-T396 PolarHBondContact O-OG1 3.37Å; V377-T396 HydrophobicContact CB-CG2 4.17Å; V377-T396 HydrophobicContact CG2-CG2 3.72Å; V393-T396 WeakPolarHBondContact O-CG2 3.43Å; V393-T396 PolarHBondContact O-N 3.06Å; T396-R398 PolarHBondContact O-N 3.35Å; T396-G403 WeakPolarHBondContact OG1-CA 3.44Å |
| 397 | A | 73.6 | Confident | 79.6 | Confident | 7 Ų | 7 | 40.5 Ų | 40.5 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 53.9 | 50.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P224 Q228 L229 N401 | P224-A397 HydrophobicContact CB-CB 4.27Å; P224-A397 HydrophobicContact CG-CB 3.94Å; Q228-A397 HydrophobicContact CG-CB 3.98Å; Q228-A397 VanDerWaalsContact NE2-C 3.35Å; Q228-A397 PolarHBondContact NE2-O 3.43Å; Q228-A397 VanDerWaalsContact NE2-O 3.08Å; Q228-A397 WeakPolarHBondContact O-CB 3.44Å; L229-A397 HydrophobicContact CB-CB 3.74Å; L229-A397 HydrophobicContact CD1-CB 3.88Å; L229-A397 HydrophobicContact CG-CB 4.35Å; A397-N401 WeakPolarHBondContact CA-O 3.41Å |
| 398 | R | 67.1 | Low | 80.6 | Confident | 47 Ų | 47 | 36.6 Ų | 36.6 | 18% | 0.177 | 18% | 0.182 | C | C | . | . | trans | -97.4 | 144.9 | 180 | -68 | 176.9 | 170.6 | -171.9 | -18.7 | 111.3 | D370 F371 G394 T396 W400 N401 | D370-R398 IonicContact OD1-CZ 2.8Å; D370-R398 IonicContact OD1-NH1 2.78Å; D370-R398 PolarHBondContact OD1-NH1 3.31Å; D370-R398 IonicContact OD1-NH2 3.62Å; F371-R398 PolarHBondContact O-NH1 3.04Å; F371-R398 VanDerWaalsContact O-NH1 3.15Å; G394-R398 PolarHBondContact O-NE 3.16Å; T396-R398 PolarHBondContact O-N 3.35Å; R398-W400 PolarHBondContact O-N 3.35Å; R398-W400 VanDerWaalsContact O-N 3.13Å; R398-N401 WeakPolarHBondContact O-CB 3.21Å; R398-N401 PolarHBondContact O-N 2.9Å | ||
| 399 | A | 62.4 | Low | 81.3 | Confident | 72 Ų | 72 | 35 Ų | 35 | 60% | 0.595 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | -110.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q228 | Q228-A399 PolarHBondContact NE2-O 3.43Š|
| 400 | W | 64.2 | Low | 81.6 | Confident | 245 Ų | 245 | 35.8 Ų | 35.8 | 93% | 0.928 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 1.2 | -179.9 | -56 | 101.2 | 0 | 0 | 0 | 113.6 | R398 | R398-W400 PolarHBondContact O-N 3.35Å; R398-W400 VanDerWaalsContact O-N 3.13Å |
| 401 | N | 68.7 | Low | 81.9 | Confident | 81 Ų | 81 | 43.5 Ų | 43.5 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | trans | -82.8 | 141.8 | -178.1 | -69.7 | -29.3 | 0 | 0 | 0 | 111.2 | Q228 N373 A397 R398 | Q228-N401 WeakPolarHBondContact CG-O 3.47Å; Q228-N401 PolarHBondContact NE2-O 3.46Å; N373-N401 PolarHBondContact OD1-ND2 3.34Å; A397-N401 WeakPolarHBondContact CA-O 3.41Å; R398-N401 WeakPolarHBondContact O-CB 3.21Å; R398-N401 PolarHBondContact O-N 2.9Å | ||
| 402 | Q | 79.2 | Confident | 82.5 | Confident | 151 Ų | 151 | 53 Ų | 53 | 71% | 0.706 | 25% | 0.249 | S | C | * | . | trans | -78.6 | 146.6 | 169.3 | -69.2 | -179.1 | -16 | 0 | 0 | 110.8 | Q228 | Q228-Q402 CarbonylContact O-C 3.55Å; Q228-Q402 VanDerWaalsContact O-CA 3.3Å; Q228-Q402 WeakPolarHBondContact O-CA 3.48Å | ||
| 403 | G | 85.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q228 L229 I230 S375 T396 | Q228-G403 PolarHBondContact O-N 3.32Å; L229-G403 WeakPolarHBondContact CA-O 3.34Å; I230-G403 PolarHBondContact N-O 3.12Å; S375-G403 WeakPolarHBondContact O-CA 3.42Å; T396-G403 WeakPolarHBondContact OG1-CA 3.44Å |
| 404 | T | 90.1 | Very high | 83 | Confident | 44 Ų | 44 | 56 Ų | 56 | 27% | 0.27 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.9 | 172.7 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | I230 Y232 S375 N376 V377 | I230-T404 CarbonylContact O-C 3.6Å; I230-T404 WeakPolarHBondContact O-CA 3.47Å; Y232-T404 HydrophobicContact CD2-CG2 3.79Å; Y232-T404 HydrophobicContact CE2-CG2 3.95Å; S375-T404 PolarHBondContact O-N 3.47Å; N376-T404 CarbonylContact C-O 3.56Å; N376-T404 VanDerWaalsContact CA-O 3.23Å; N376-T404 WeakPolarHBondContact CA-O 3.45Å; V377-T404 PolarHBondContact N-O 3.33Å |
| 405 | A | 91.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L229 I230 Q231 Y232 V377 V393 | L229-A405 HydrophobicContact CD1-CB 4.29Å; I230-A405 PolarHBondContact O-N 2.88Å; Q231-A405 CarbonylContact C-O 3.48Å; Q231-A405 WeakPolarHBondContact CA-O 3.41Å; Q231-A405 HydrophobicContact CG-CB 4.09Å; Y232-A405 PolarHBondContact N-O 3.5Å; V377-A405 CarbonylContact O-C 3.48Å; V377-A405 VanDerWaalsContact O-CA 3.25Å; V377-A405 WeakPolarHBondContact O-CA 3.5Å; V393-A405 HydrophobicContact CB-CB 4.43Å; V393-A405 HydrophobicContact CG1-CB 3.71Å; V393-A405 HydrophobicContact CG2-CB 3.95Å |
| 406 | L | 94.4 | Very high | 84.4 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.063 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 123 | 176 | 178.2 | 66.9 | 0 | 0 | 0 | 109.1 | V234 M248 V377 I378 N379 F408 | V234-L406 HydrophobicContact CG2-CD1 3.74Å; M248-L406 HydrophobicContact CE-CD1 4.3Å; M248-L406 HydrophobicContact CE-CD2 3.87Å; M248-L406 HydrophobicContact SD-CD2 3.35Å; M248-L406 WeakPolarHBondContact SD-CD2 3.34Å; V377-L406 PolarHBondContact O-N 3.22Å; I378-L406 CarbonylContact C-O 3.19Å; I378-L406 VanDerWaalsContact CA-O 3.3Å; I378-L406 WeakPolarHBondContact CA-O 3.48Å; I378-L406 HydrophobicContact CG1-CB 4.45Å; I378-L406 HydrophobicContact CG2-CD2 4.36Å; N379-L406 PolarHBondContact N-O 2.93Å; L406-F408 HydrophobicContact CD2-CE2 3.61Å; L406-F408 HydrophobicContact CD2-CZ 3.81Å; L406-F408 HydrophobicContact CG-CD2 4.49Å; L406-F408 HydrophobicContact CG-CE2 3.99Å; L406-F408 HydrophobicContact CG-CZ 4.4Å |
| 407 | S | 95.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.7 | 180 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | Y232 H233 V234 N379 | Y232-S407 PolarHBondContact O-N 3.4Å; H233-S407 WeakPolarHBondContact CA-O 3.48Å; H233-S407 PolarHBondContact CD2-O 2.9Å; V234-S407 PolarHBondContact N-O 2.97Å; N379-S407 PolarHBondContact ND2-OG 3.07Å |
| 408 | F | 95.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.1 | 172.7 | -68.8 | -87 | 0 | 0 | 0 | 110.4 | V234 K241 I244 L245 M248 I378 N379 F380 F382 L406 | V234-F408 HydrophobicContact CB-CD1 3.86Å; V234-F408 HydrophobicContact CB-CE1 4.06Å; V234-F408 HydrophobicContact CG1-CD1 3.95Å; V234-F408 HydrophobicContact CG1-CE1 3.99Å; V234-F408 HydrophobicContact CG2-CE1 4.38Å; V234-F408 CarbonylContact O-C 3.55Å; V234-F408 WeakPolarHBondContact O-CA 3.41Å; K241-F408 HydrophobicContact CB-CD1 4.38Å; K241-F408 HydrophobicContact CD-CB 4.17Å; K241-F408 HydrophobicContact CG-CB 4.05Å; K241-F408 HydrophobicContact CG-CD1 4.06Å; K241-F408 HydrophobicContact CG-CG 4.24Å; I244-F408 HydrophobicContact CB-CE1 3.93Å; I244-F408 HydrophobicContact CB-CZ 4.37Å; I244-F408 HydrophobicContact CD1-CE1 4.44Å; I244-F408 HydrophobicContact CG2-CE1 3.54Å; I244-F408 HydrophobicContact CG2-CZ 3.78Å; L245-F408 HydrophobicContact CB-CZ 4.25Å; L245-F408 HydrophobicContact CD1-CE2 4.29Å; M248-F408 HydrophobicContact SD-CZ 4.44Å; I378-F408 HydrophobicContact CG2-CD2 4.16Å; I378-F408 HydrophobicContact CG2-CE2 3.84Å; N379-F408 PolarHBondContact O-N 2.88Å; F380-F408 HydrophobicContact CD2-CD2 4.46Å; F380-F408 WeakPolarHBondContact O-CB 3.27Å; F382-F408 WeakPolarHBondContact CB-O 3.1Å; F382-F408 PolarHBondContact N-O 3.39Å; L406-F408 HydrophobicContact CD2-CE2 3.61Å; L406-F408 HydrophobicContact CD2-CZ 3.81Å; L406-F408 HydrophobicContact CG-CD2 4.49Å; L406-F408 HydrophobicContact CG-CE2 3.99Å; L406-F408 HydrophobicContact CG-CZ 4.4Å |
| 409 | S | 93.6 | Very high | 86.5 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141.5 | 172.7 | 69 | 0 | 0 | 0 | 0 | 111 | H233 V234 S235 C236 | H233-S409 PolarHBondContact NE2-OG 3.22Å; V234-S409 PolarHBondContact O-N 3.41Å; S235-S409 WeakPolarHBondContact CA-O 3.35Å; C236-S409 PolarHBondContact N-O 2.79Å |
| 410 | T | 92.2 | Very high | 87.7 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 10% | 0.104 | 31% | 0.314 | C | S | . | . | trans | -92.3 | 173 | 164.7 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | C236 E238 R412 D413 A414 | C236-T410 WeakPolarHBondContact O-CA 3.36Å; E238-T410 HydrophobicContact CG-CG2 4.05Å; E238-T410 WeakPolarHBondContact OE1-CG2 3.08Å; T410-R412 PolarHBondContact O-N 3.3Å; T410-R412 PolarHBondContact OG1-N 3.14Å; T410-D413 PolarHBondContact N-OD2 3.07Å; T410-D413 WeakPolarHBondContact O-CB 3.45Å; T410-D413 PolarHBondContact O-N 3.4Å; T410-D413 PolarHBondContact OG1-OD2 2.88Å; T410-A414 PolarHBondContact O-N 3.38Å | ||
| 411 | E | 86.8 | Confident | 88.7 | Confident | 186 Ų | 186 | 60.9 Ų | 60.9 | 87% | 0.869 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -52.9 | -34.9 | 170.6 | -171.4 | 177.3 | -169.4 | 0 | 0 | 112.5 | D413 A414 | E411-D413 PolarHBondContact O-N 3.3Å; E411-A414 VanDerWaalsContact O-CB 3.3Å; E411-A414 WeakPolarHBondContact O-CB 3.38Å; E411-A414 PolarHBondContact O-N 3.04Å |
| 412 | R | 88.7 | Confident | 89.4 | Confident | 217 Ų | 217 | 64 Ų | 64 | 82% | 0.819 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -67.1 | -23.8 | 177.5 | -59.7 | 178.8 | -178.5 | 178.2 | 0.5 | 113 | T410 | T410-R412 PolarHBondContact O-N 3.3Å; T410-R412 PolarHBondContact OG1-N 3.14Å |
| 413 | D | 90.8 | Very high | 89.5 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -91.5 | -6.9 | -177.1 | -55.2 | -48.5 | 0 | 0 | 0 | 112.4 | K241 F382 T410 E411 R415 Y416 V417 | K241-D413 IonicContact NZ-OD2 3.19Å; F382-D413 HydrophobicContact CB-CB 4Å; T410-D413 PolarHBondContact N-OD2 3.07Å; T410-D413 WeakPolarHBondContact O-CB 3.45Å; T410-D413 PolarHBondContact O-N 3.4Å; T410-D413 PolarHBondContact OG1-OD2 2.88Å; E411-D413 PolarHBondContact O-N 3.3Å; D413-R415 PolarHBondContact O-N 2.98Å; D413-R415 VanDerWaalsContact O-N 3.09Å; D413-Y416 HydrophobicContact CB-CD2 4.29Å; D413-Y416 WeakPolarHBondContact O-CA 3.42Å; D413-Y416 WeakPolarHBondContact O-CB 3.48Å; D413-Y416 PolarHBondContact O-N 2.93Å; D413-V417 PolarHBondContact O-N 3.37Å |
| 414 | A | 88.6 | Confident | 89 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -52 | -38.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T410 E411 Y416 V417 A418 | T410-A414 PolarHBondContact O-N 3.38Å; E411-A414 VanDerWaalsContact O-CB 3.3Å; E411-A414 WeakPolarHBondContact O-CB 3.38Å; E411-A414 PolarHBondContact O-N 3.04Å; A414-Y416 PolarHBondContact O-N 3.44Å; A414-V417 PolarHBondContact O-N 3.08Å; A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 2.85Å |
| 415 | R | 91.2 | Very high | 88.2 | Confident | 173 Ų | 173 | 60.2 Ų | 60.2 | 65% | 0.653 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.3 | -38.1 | 176.2 | 67.5 | -174.5 | -174.7 | -175.9 | 3 | 113.4 | D413 R419 | D413-R415 PolarHBondContact O-N 2.98Å; D413-R415 VanDerWaalsContact O-N 3.09Å; R415-R419 PolarHBondContact O-N 3.25Å; R415-R419 VanDerWaalsContact O-N 3.16Å |
| 416 | Y | 91.3 | Very high | 87.1 | Confident | 46 Ų | 46 | 68.4 Ų | 68.4 | 18% | 0.18 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -74.4 | -40.1 | 178.6 | -52.5 | -60.5 | 0 | 0 | 0 | 110.4 | K384 D413 A414 A418 R419 V420 | K384-Y416 HydrophobicContact CB-CE1 4.31Å; K384-Y416 HydrophobicContact CG-CE1 4.46Å; K384-Y416 HydrophobicContact CG-CE2 4.47Å; K384-Y416 WeakPolarHBondContact O-CD1 3.26Å; D413-Y416 HydrophobicContact CB-CD2 4.29Å; D413-Y416 WeakPolarHBondContact O-CA 3.42Å; D413-Y416 WeakPolarHBondContact O-CB 3.48Å; D413-Y416 PolarHBondContact O-N 2.93Å; A414-Y416 PolarHBondContact O-N 3.44Å; Y416-A418 PolarHBondContact O-N 3.24Å; Y416-R419 PolarHBondContact O-N 3.38Å; Y416-V420 WeakPolarHBondContact O-CG2 3.4Å; Y416-V420 PolarHBondContact O-N 3.25Å |
| 417 | V | 89.4 | Confident | 85.5 | Confident | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | F382 D413 A414 R419 V420 K421 L434 | F382-V417 HydrophobicContact CD1-CG2 4Å; F382-V417 HydrophobicContact CD2-CG2 3.86Å; F382-V417 HydrophobicContact CE1-CB 4.36Å; F382-V417 HydrophobicContact CE1-CG2 3.9Å; F382-V417 HydrophobicContact CE2-CG2 3.75Å; F382-V417 HydrophobicContact CG-CG2 4Å; F382-V417 HydrophobicContact CZ-CB 4.2Å; F382-V417 HydrophobicContact CZ-CG2 3.78Å; D413-V417 PolarHBondContact O-N 3.37Å; A414-V417 PolarHBondContact O-N 3.08Å; V417-R419 VanDerWaalsContact C-N 3.31Å; V417-R419 PolarHBondContact O-N 2.61Å; V417-V420 PolarHBondContact O-N 3.46Å; V417-K421 HydrophobicContact CG1-CD 4.14Å; V417-K421 HydrophobicContact CG1-CG 4.38Å; V417-K421 WeakPolarHBondContact O-CB 3.49Å; V417-K421 WeakPolarHBondContact O-CG 3.47Å; V417-K421 PolarHBondContact O-N 3.06Å; V417-L434 HydrophobicContact CG1-CD2 4.42Å |
| 418 | A | 88.6 | Confident | 83.7 | Confident | 59 Ų | 59 | 72.3 Ų | 72.3 | 49% | 0.488 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | A414 Y416 K422 | A414-A418 WeakPolarHBondContact O-CB 3.34Å; A414-A418 PolarHBondContact O-N 2.85Å; Y416-A418 PolarHBondContact O-N 3.24Å; A418-K422 VanDerWaalsContact O-CB 3.27Å; A418-K422 WeakPolarHBondContact O-CB 3.23Å; A418-K422 PolarHBondContact O-N 2.97Å |
| 419 | R | 88.2 | Confident | 81.7 | Confident | 116 Ų | 116 | 81.1 Ų | 81.1 | 44% | 0.438 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.2 | -174.5 | 165.8 | 76.8 | 157.3 | -2.1 | 112.2 | K384 V386 R415 Y416 V417 K422 V423 | K384-R419 PolarHBondContact O-NH2 3.1Å; V386-R419 HydrophobicContact CG2-CG 3.99Å; R415-R419 PolarHBondContact O-N 3.25Å; R415-R419 VanDerWaalsContact O-N 3.16Å; Y416-R419 PolarHBondContact O-N 3.38Å; V417-R419 VanDerWaalsContact C-N 3.31Å; V417-R419 PolarHBondContact O-N 2.61Å; R419-K422 PolarHBondContact O-N 2.74Å; R419-V423 WeakPolarHBondContact O-CG2 2.95Å; R419-V423 PolarHBondContact O-N 2.97Å; R419-V423 VanDerWaalsContact O-N 3.08Å |
| 420 | V | 87.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 85.1 Ų | 85.1 | 2% | 0.018 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 178.4 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | F382 V386 Y389 Y416 V417 K422 V423 L424 | F382-V420 HydrophobicContact CE1-CB 4.31Å; F382-V420 HydrophobicContact CE1-CG2 3.81Å; F382-V420 HydrophobicContact CZ-CB 4.13Å; F382-V420 HydrophobicContact CZ-CG1 4.39Å; F382-V420 HydrophobicContact CZ-CG2 4.05Å; V386-V420 HydrophobicContact CG2-CG2 4.06Å; Y389-V420 HydrophobicContact CD1-CG1 3.83Å; Y389-V420 HydrophobicContact CD2-CG1 4.04Å; Y389-V420 HydrophobicContact CE1-CG1 4.03Å; Y389-V420 HydrophobicContact CE2-CG1 4.24Å; Y389-V420 HydrophobicContact CG-CG1 3.83Å; Y389-V420 HydrophobicContact CG-CG2 4.39Å; Y416-V420 WeakPolarHBondContact O-CG2 3.4Å; Y416-V420 PolarHBondContact O-N 3.25Å; V417-V420 PolarHBondContact O-N 3.46Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.35Å; V420-V423 PolarHBondContact O-N 3.3Å; V420-L424 HydrophobicContact CG1-CD1 3.53Å; V420-L424 HydrophobicContact CG1-CG 4.4Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 WeakPolarHBondContact O-CG 3.34Å; V420-L424 PolarHBondContact O-N 3.39Å |
| 421 | K | 86 | Confident | 78 | Confident | 89 Ų | 89 | 90.4 Ų | 90.4 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 175.6 | -74.6 | -175.2 | 178.9 | -174 | 0 | 111.7 | V417 V423 A425 L434 | V417-K421 HydrophobicContact CG1-CD 4.14Å; V417-K421 HydrophobicContact CG1-CG 4.38Å; V417-K421 WeakPolarHBondContact O-CB 3.49Å; V417-K421 WeakPolarHBondContact O-CG 3.47Å; V417-K421 PolarHBondContact O-N 3.06Å; K421-V423 PolarHBondContact O-N 3.22Å; K421-A425 WeakPolarHBondContact O-CB 3.45Å; K421-A425 PolarHBondContact O-N 3.33Å; K421-L434 VanDerWaalsContact CE-CD2 3.47Å; K421-L434 HydrophobicContact CG-CD2 4.23Å |
| 422 | K | 83.5 | Confident | 76.8 | Confident | 148 Ų | 148 | 87.2 Ų | 87.2 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -39.9 | -179.6 | -174.7 | 178.2 | -177 | 177.2 | 0 | 113.1 | A418 R419 V420 | A418-K422 VanDerWaalsContact O-CB 3.27Å; A418-K422 WeakPolarHBondContact O-CB 3.23Å; A418-K422 PolarHBondContact O-N 2.97Å; R419-K422 PolarHBondContact O-N 2.74Å; V420-K422 VanDerWaalsContact C-N 3.33Å; V420-K422 PolarHBondContact O-N 3.35Å |
| 423 | V | 80.1 | Confident | 75.9 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -75.8 | -40.7 | -178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.3 | V386 R419 V420 K421 | V386-V423 HydrophobicContact CG1-CB 4.16Å; V386-V423 HydrophobicContact CG1-CG1 3.96Å; V386-V423 HydrophobicContact CG2-CB 4.34Å; V386-V423 HydrophobicContact CG2-CG2 4.13Å; R419-V423 WeakPolarHBondContact O-CG2 2.95Å; R419-V423 PolarHBondContact O-N 2.97Å; R419-V423 VanDerWaalsContact O-N 3.08Å; V420-V423 PolarHBondContact O-N 3.3Å; K421-V423 PolarHBondContact O-N 3.22Å |
| 424 | L | 75.2 | Confident | 75.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -79.6 | -31 | -177 | -64.3 | 173.7 | 0 | 0 | 0 | 113 | L223 Y389 V390 V420 K426 Q427 V428 F433 | L223-L424 HydrophobicContact CD1-CD1 3.83Å; L223-L424 HydrophobicContact CD1-CD2 3.9Å; Y389-L424 HydrophobicContact CD1-CD1 3.81Å; Y389-L424 HydrophobicContact CE1-CD1 3.65Å; V390-L424 HydrophobicContact CG2-CD2 4.38Å; V420-L424 HydrophobicContact CG1-CD1 3.53Å; V420-L424 HydrophobicContact CG1-CG 4.4Å; V420-L424 WeakPolarHBondContact O-CB 3.49Å; V420-L424 WeakPolarHBondContact O-CG 3.34Å; V420-L424 PolarHBondContact O-N 3.39Å; L424-K426 PolarHBondContact O-N 2.88Å; L424-Q427 PolarHBondContact O-N 3.22Å; L424-V428 PolarHBondContact O-N 3.49Å; L424-F433 HydrophobicContact CB-CD1 4.12Å; L424-F433 HydrophobicContact CB-CE1 3.96Å; L424-F433 HydrophobicContact CB-CE2 4.43Å; L424-F433 HydrophobicContact CB-CG 4.48Å; L424-F433 HydrophobicContact CB-CZ 4.11Å; L424-F433 HydrophobicContact CD1-CD1 4.26Å; L424-F433 HydrophobicContact CD1-CE1 3.36Å; L424-F433 HydrophobicContact CD1-CZ 3.51Å; L424-F433 HydrophobicContact CG-CE1 4.26Å; L424-F433 HydrophobicContact CG-CZ 4.27Å |
| 425 | A | 73.2 | Confident | 75.1 | Confident | 62 Ų | 62 | 80.2 Ų | 80.2 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -23 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K421 Q427 | K421-A425 WeakPolarHBondContact O-CB 3.45Å; K421-A425 PolarHBondContact O-N 3.33Å; A425-Q427 VanDerWaalsContact C-N 3.25Å; A425-Q427 PolarHBondContact O-N 2.88Å |
| 426 | K | 68.9 | Low | 74.8 | Confident | 173 Ų | 173 | 75.6 Ų | 75.6 | 75% | 0.752 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.9 | 172.4 | -70.1 | -178.4 | 175.9 | -166.6 | 0 | 113.5 | L424 | L424-K426 PolarHBondContact O-N 2.88Š|
| 427 | Q | 60.1 | Low | 74.4 | Confident | 65 Ų | 65 | 76 Ų | 76 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -18 | -171 | -64.4 | 179 | 4.5 | 0 | 0 | 113.4 | Q222 L424 A425 | Q222-Q427 VanDerWaalsContact CB-OE1 3.28Å; Q222-Q427 VanDerWaalsContact CG-OE1 3.25Å; L424-Q427 PolarHBondContact O-N 3.22Å; A425-Q427 VanDerWaalsContact C-N 3.25Å; A425-Q427 PolarHBondContact O-N 2.88Å |
| 428 | V | 57.4 | Low | 73.8 | Confident | 29 Ų | 29 | 86 Ų | 86 | 18% | 0.176 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -128.8 | 118.3 | -178.3 | -172.3 | 0 | 0 | 0 | 0 | 106.6 | L424 E430 F433 | L424-V428 PolarHBondContact O-N 3.49Å; V428-E430 HydrophobicContact CG1-CB 3.95Å; V428-E430 HydrophobicContact CG1-CG 4.08Å; V428-E430 PolarHBondContact O-N 3.45Å; V428-F433 HydrophobicContact CB-CD2 4.39Å; V428-F433 HydrophobicContact CG2-CD2 3.98Å; V428-F433 HydrophobicContact CG2-CE2 4.26Å |
| 429 | D | 55.4 | Low | 73.1 | Confident | 184 Ų | 184 | 84.7 Ų | 84.7 | 98% | 0.984 | 42% | 0.415 | S | S | * | . | trans | -69 | 29.1 | 178.1 | -98.9 | -22.6 | 0 | 0 | 0 | 113.3 | ||||
| 430 | E | 55.6 | Low | 72.3 | Confident | 89 Ų | 89 | 81.3 Ų | 81.3 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | trans | -113.5 | 132.1 | 180 | -70.8 | -176 | 177 | 0 | 0 | 111.8 | S226 V428 E432 | S226-E430 WeakPolarHBondContact CB-OE2 3.38Å; S226-E430 VanDerWaalsContact OG-CD 3.28Å; S226-E430 PolarHBondContact OG-OE1 2.9Å; S226-E430 PolarHBondContact OG-OE2 2.52Å; V428-E430 HydrophobicContact CG1-CB 3.95Å; V428-E430 HydrophobicContact CG1-CG 4.08Å; V428-E430 PolarHBondContact O-N 3.45Å; E430-E432 PolarHBondContact O-N 3.33Å | ||
| 431 | S | 52.5 | Low | 71.4 | Confident | 128 Ų | 128 | 82.8 Ų | 82.8 | 90% | 0.895 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.8 | -177 | 55.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 432 | E | 61.4 | Low | 70.3 | Confident | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.4 | 56.5 | -175.4 | -66.6 | -167.2 | 165.1 | 0 | 0 | 113.5 | E430 L434 | E430-E432 PolarHBondContact O-N 3.33Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.27Å |
| 433 | F | 69.2 | Low | 69.4 | Low | 27 Ų | 27 | 82.7 Ų | 82.7 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -55.4 | -40.2 | 174.8 | 173.4 | -89.8 | 0 | 0 | 0 | 113.5 | L223 Y389 L424 V428 | L223-F433 HydrophobicContact CD1-CE1 4.42Å; L223-F433 HydrophobicContact CD1-CE2 3.96Å; L223-F433 HydrophobicContact CD1-CZ 3.37Å; Y389-F433 HydrophobicContact CE1-CE1 4.34Å; L424-F433 HydrophobicContact CB-CD1 4.12Å; L424-F433 HydrophobicContact CB-CE1 3.96Å; L424-F433 HydrophobicContact CB-CE2 4.43Å; L424-F433 HydrophobicContact CB-CG 4.48Å; L424-F433 HydrophobicContact CB-CZ 4.11Å; L424-F433 HydrophobicContact CD1-CD1 4.26Å; L424-F433 HydrophobicContact CD1-CE1 3.36Å; L424-F433 HydrophobicContact CD1-CZ 3.51Å; L424-F433 HydrophobicContact CG-CE1 4.26Å; L424-F433 HydrophobicContact CG-CZ 4.27Å; V428-F433 HydrophobicContact CB-CD2 4.39Å; V428-F433 HydrophobicContact CG2-CD2 3.98Å; V428-F433 HydrophobicContact CG2-CE2 4.26Å |
| 434 | L | 79.2 | Confident | 68.8 | Low | 13 Ų | 13 | 80.4 Ų | 80.4 | 7% | 0.068 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -115.7 | 89.8 | -179.4 | -168 | 73.7 | 0 | 0 | 0 | 109.9 | Q231 H233 Y389 V417 K421 E432 | Q231-L434 HydrophobicContact CB-CD1 4.13Å; H233-L434 HydrophobicContact CB-CD1 3.94Å; H233-L434 HydrophobicContact CB-CD2 3.39Å; H233-L434 HydrophobicContact CB-CG 3.39Å; Y389-L434 WeakPolarHBondContact OH-CD1 3.11Å; V417-L434 HydrophobicContact CG1-CD2 4.42Å; K421-L434 VanDerWaalsContact CE-CD2 3.47Å; K421-L434 HydrophobicContact CG-CD2 4.23Å; E432-L434 VanDerWaalsContact C-N 3.27Å; E432-L434 PolarHBondContact O-N 3.27Å |
| 435 | K | 82.7 | Confident | 68.3 | Low | 98 Ų | 98 | 81.7 Ų | 81.7 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 125.5 | -174.3 | -65 | -174.8 | -179.7 | -178.1 | 0 | 110.5 | Q231 Y232 H233 Y437 | Q231-K435 PolarHBondContact O-N 2.71Å; Y232-K435 CarbonylContact C-O 3.59Å; Y232-K435 VanDerWaalsContact CA-O 3.3Å; Y232-K435 WeakPolarHBondContact CA-O 3.48Å; Y232-K435 HydrophobicContact CD1-CB 3.93Å; Y232-K435 HydrophobicContact CE1-CB 4.14Å; Y232-K435 HydrophobicContact CE1-CD 4.47Å; H233-K435 PolarHBondContact N-O 2.93Å; K435-Y437 PolarHBondContact O-N 2.66Å |
| 436 | P | 84.4 | Confident | 67.7 | Low | 75 Ų | 75 | 79.7 Ų | 79.7 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 122.8 | 174.3 | 27.5 | -32.3 | 0 | 0 | 0 | 109.2 | H233 | H233-P436 WeakPolarHBondContact O-CA 3.47Å |
| 437 | Y | 83.9 | Confident | 67.7 | Low | 54 Ų | 54 | 71.5 Ų | 71.5 | 21% | 0.212 | 36% | 0.362 | C | S | . | . | trans | -95.4 | 100.4 | 173.2 | -168 | -89.8 | 0 | 0 | 0 | 108.2 | Y232 H233 V234 M248 K435 I439 F526 | Y232-Y437 AromaticContact CD1-CD2 3.78Å; Y232-Y437 HydrophobicContact CD1-CD2 3.78Å; Y232-Y437 HydrophobicContact CD1-CG 4.39Å; Y232-Y437 HydrophobicContact CE1-CD2 4.03Å; Y232-Y437 HydrophobicContact CG-CD2 4.12Å; H233-Y437 PolarHBondContact O-N 3.49Å; V234-Y437 HydrophobicContact CG2-CD1 4.08Å; V234-Y437 HydrophobicContact CG2-CG 4.37Å; M248-Y437 HydrophobicContact CE-CD1 3.71Å; M248-Y437 HydrophobicContact CE-CE1 3.43Å; M248-Y437 VanDerWaalsContact CE-CE1 3.43Å; K435-Y437 PolarHBondContact O-N 2.66Å; Y437-I439 HydrophobicContact CD1-CD1 3.66Å; Y437-I439 HydrophobicContact CD1-CG1 3.47Å; Y437-I439 VanDerWaalsContact CD1-CG1 3.47Å; Y437-I439 HydrophobicContact CE1-CD1 3.64Å; Y437-I439 HydrophobicContact CE1-CG1 3.48Å; Y437-I439 VanDerWaalsContact CE1-CG1 3.48Å; Y437-F526 HydrophobicContact CE1-CE1 4.34Å; Y437-F526 VanDerWaalsContact OH-CE1 3.27Å; Y437-F526 WeakPolarHBondContact OH-CE1 3.06Å | ||
| 438 | R | 77 | Confident | 68.1 | Low | 222 Ų | 222 | 70.4 Ų | 70.4 | 84% | 0.838 | 36% | 0.355 | S | S | * | . | trans | -81.6 | 125.3 | -178.5 | -64.2 | -176.2 | -176.7 | 178.7 | 1.6 | 109.4 | ||||
| 439 | I | 74.4 | Confident | 68.4 | Low | 31 Ų | 31 | 70.4 Ų | 70.4 | 16% | 0.159 | 35% | 0.352 | C | S | . | . | trans | -122.8 | 122.7 | 175.8 | -57.7 | 178.8 | 0 | 0 | 0 | 106.4 | V234 I244 M248 Y437 M441 L444 | V234-I439 HydrophobicContact CG1-CD1 4.5Å; I244-I439 HydrophobicContact CB-CD1 4.17Å; I244-I439 HydrophobicContact CD1-CD1 4.12Å; I244-I439 HydrophobicContact CG1-CD1 3.96Å; I244-I439 HydrophobicContact CG2-CD1 3.18Å; M248-I439 HydrophobicContact CE-CD1 3.74Å; Y437-I439 HydrophobicContact CD1-CD1 3.66Å; Y437-I439 HydrophobicContact CD1-CG1 3.47Å; Y437-I439 VanDerWaalsContact CD1-CG1 3.47Å; Y437-I439 HydrophobicContact CE1-CD1 3.64Å; Y437-I439 HydrophobicContact CE1-CG1 3.48Å; Y437-I439 VanDerWaalsContact CE1-CG1 3.48Å; I439-M441 PolarHBondContact O-N 3.36Å; I439-M441 VanDerWaalsContact O-N 3.16Å; I439-L444 HydrophobicContact CG2-CD1 3.49Å; I439-L444 VanDerWaalsContact CG2-CD1 3.49Å; I439-L444 HydrophobicContact CG2-CG 4.37Å | ||
| 440 | S | 70.3 | Confident | 69 | Low | 44 Ų | 44 | 61.7 Ų | 61.7 | 31% | 0.308 | 31% | 0.306 | S | S | . | . | trans | -71.8 | 109.3 | 169.3 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | E442 E443 | S440-E442 PolarHBondContact O-N 2.84Å; S440-E443 PolarHBondContact O-N 3.01Å | ||
| 441 | M | 68.6 | Low | 70.1 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 17% | 0.172 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.7 | 175.3 | -74.2 | -59.2 | -53.7 | 0 | 0 | 111.3 | E240 V243 I244 I439 E443 L444 D445 R448 | E240-M441 HydrophobicContact CB-CE 4.06Å; E240-M441 HydrophobicContact CB-SD 4.17Å; E240-M441 HydrophobicContact CG-CE 3.47Å; E240-M441 VanDerWaalsContact CG-CE 3.47Å; E240-M441 HydrophobicContact CG-SD 4.03Å; V243-M441 HydrophobicContact CG1-CE 4.46Å; I244-M441 HydrophobicContact CD1-SD 3.94Å; I244-M441 HydrophobicContact CG1-SD 3.99Å; I439-M441 PolarHBondContact O-N 3.36Å; I439-M441 VanDerWaalsContact O-N 3.16Å; M441-E443 VanDerWaalsContact C-N 3.26Å; M441-E443 PolarHBondContact O-N 2.86Å; M441-L444 PolarHBondContact O-N 2.62Å; M441-L444 HydrophobicContact SD-CD1 4.41Å; M441-D445 PolarHBondContact O-N 3.28Å; M441-R448 HydrophobicContact CE-CG 4.46Å |
| 442 | E | 63.4 | Low | 71.2 | Confident | 156 Ų | 156 | 52.3 Ų | 52.3 | 73% | 0.729 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -58 | -38.5 | 176.4 | -59.5 | 172.2 | -178 | 0 | 0 | 111.6 | S440 L444 D445 | S440-E442 PolarHBondContact O-N 2.84Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 3.46Å; E442-D445 WeakPolarHBondContact CA-OD2 3.3Å; E442-D445 VanDerWaalsContact O-CB 3.26Å; E442-D445 WeakPolarHBondContact O-CB 3.26Å; E442-D445 PolarHBondContact O-N 3.03Å |
| 443 | E | 63.8 | Low | 71.5 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -72.7 | -24.4 | 178.1 | -61.9 | 176.2 | -179.5 | 0 | 0 | 112.8 | S440 M441 D445 L522 | S440-E443 PolarHBondContact O-N 3.01Å; M441-E443 VanDerWaalsContact C-N 3.26Å; M441-E443 PolarHBondContact O-N 2.86Å; E443-D445 VanDerWaalsContact C-N 3.32Å; E443-L522 HydrophobicContact CB-CD2 3.48Å; E443-L522 VanDerWaalsContact CB-CD2 3.48Å; E443-L522 HydrophobicContact CB-CG 4.42Å; E443-L522 HydrophobicContact CG-CD2 4.3Å; E443-L522 WeakPolarHBondContact OE2-CD2 3.48Å |
| 444 | L | 69.2 | Low | 71.8 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -89.4 | 4.3 | 178.6 | -75.2 | 174 | 0 | 0 | 0 | 113.1 | V243 I244 A247 I439 M441 E442 G446 F447 R448 L522 | V243-L444 HydrophobicContact CG1-CB 4.42Å; I244-L444 HydrophobicContact CG1-CD1 4.17Å; A247-L444 HydrophobicContact CB-CD1 4.34Å; A247-L444 HydrophobicContact CB-CD2 3.43Å; A247-L444 VanDerWaalsContact CB-CD2 3.43Å; I439-L444 HydrophobicContact CG2-CD1 3.49Å; I439-L444 VanDerWaalsContact CG2-CD1 3.49Å; I439-L444 HydrophobicContact CG2-CG 4.37Å; M441-L444 PolarHBondContact O-N 2.62Å; M441-L444 HydrophobicContact SD-CD1 4.41Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 3.46Å; L444-G446 PolarHBondContact O-N 3.45Å; L444-F447 HydrophobicContact CD2-CD1 4.49Å; L444-F447 CarbonylContact O-C 3.55Å; L444-F447 WeakPolarHBondContact O-CA 3.5Å; L444-F447 WeakPolarHBondContact O-CB 3.33Å; L444-F447 PolarHBondContact O-N 2.8Å; L444-R448 WeakPolarHBondContact O-CB 3.24Å; L444-R448 PolarHBondContact O-N 3.1Å; L444-L522 HydrophobicContact CD2-CD1 3.53Å; L444-L522 HydrophobicContact CG-CD1 4.33Å |
| 445 | D | 62.7 | Low | 71.8 | Confident | 27 Ų | 27 | 46.3 Ų | 46.3 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -46 | -164.1 | -83 | -21.3 | 0 | 0 | 0 | 115.6 | M441 E442 E443 F447 R448 Y449 R905 | M441-D445 PolarHBondContact O-N 3.28Å; E442-D445 WeakPolarHBondContact CA-OD2 3.3Å; E442-D445 VanDerWaalsContact O-CB 3.26Å; E442-D445 WeakPolarHBondContact O-CB 3.26Å; E442-D445 PolarHBondContact O-N 3.03Å; E443-D445 VanDerWaalsContact C-N 3.32Å; D445-F447 PolarHBondContact O-N 2.76Å; D445-R448 WeakPolarHBondContact O-CB 3.43Å; D445-R448 PolarHBondContact O-N 3.42Å; D445-Y449 VanDerWaalsContact O-CD2 3.26Å; D445-Y449 WeakPolarHBondContact O-CD2 3.15Å; D445-Y449 PolarHBondContact O-N 2.74Å; D445-R905 IonicContact OD1-CZ 3.49Å; D445-R905 IonicContact OD1-NH1 3.96Å; D445-R905 PolarHBondContact OD1-NH1 2.81Å; D445-R905 IonicContact OD1-NH2 2.69Å; D445-R905 PolarHBondContact OD1-NH2 2.89Å; D445-R905 IonicContact OD2-CZ 3.87Å; D445-R905 IonicContact OD2-NH1 2.59Å; D445-R905 PolarHBondContact OD2-NH1 2.86Å; D445-R905 IonicContact OD2-NH2 3.08Å; D445-R905 PolarHBondContact OD2-NH2 2.77Å |
| 446 | G | 62.2 | Low | 71.4 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.3 | -35.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L444 | L444-G446 PolarHBondContact O-N 3.45Å |
| 447 | F | 69.2 | Low | 70.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -80.3 | -31.1 | 178.5 | -170.6 | -116.7 | 0 | 0 | 0 | 113.3 | V243 C246 A247 K250 F278 L444 D445 Y449 R450 C451 V513 I517 I519 | V243-F447 HydrophobicContact CG1-CD1 4.5Å; C246-F447 HydrophobicContact CB-CE1 3.94Å; C246-F447 HydrophobicContact CB-CZ 4.18Å; C246-F447 VanDerWaalsContact SG-CZ 3.56Å; A247-F447 HydrophobicContact CB-CD1 4.06Å; A247-F447 HydrophobicContact CB-CE1 3.98Å; K250-F447 HydrophobicContact CG-CZ 4.31Å; F278-F447 AromaticContact CD1-CE2 3.94Å; F278-F447 HydrophobicContact CD1-CE2 3.94Å; F278-F447 AromaticContact CD1-CZ 3.92Å; F278-F447 HydrophobicContact CD1-CZ 3.92Å; F278-F447 AromaticContact CE1-CE2 3.65Å; F278-F447 HydrophobicContact CE1-CE2 3.65Å; F278-F447 AromaticContact CE1-CZ 3.83Å; F278-F447 HydrophobicContact CE1-CZ 3.83Å; L444-F447 HydrophobicContact CD2-CD1 4.49Å; L444-F447 CarbonylContact O-C 3.55Å; L444-F447 WeakPolarHBondContact O-CA 3.5Å; L444-F447 WeakPolarHBondContact O-CB 3.33Å; L444-F447 PolarHBondContact O-N 2.8Å; D445-F447 PolarHBondContact O-N 2.76Å; F447-Y449 PolarHBondContact O-N 3.47Å; F447-R450 WeakPolarHBondContact O-CB 3.29Å; F447-R450 PolarHBondContact O-N 3.32Å; F447-C451 WeakPolarHBondContact CE1-SG 3.42Å; F447-C451 PolarHBondContact O-N 3.24Å; F447-C451 PolarHBondContact O-SG 3.07Å; F447-V513 HydrophobicContact CD2-CG1 4.1Å; F447-V513 HydrophobicContact CD2-CG2 4.37Å; F447-V513 HydrophobicContact CE2-CG1 4.31Å; F447-V513 HydrophobicContact CE2-CG2 3.75Å; F447-I517 HydrophobicContact CB-CG2 4.49Å; F447-I519 HydrophobicContact CD2-CD1 3.83Å; F447-I519 HydrophobicContact CD2-CG1 4.33Å; F447-I519 HydrophobicContact CE2-CD1 3.83Å; F447-I519 HydrophobicContact CG-CD1 4.29Å; F447-I519 HydrophobicContact CG-CG1 4.47Å; F447-I519 HydrophobicContact CZ-CD1 4.26Å |
| 448 | R | 68.7 | Low | 70.4 | Confident | 42 Ų | 42 | 40.7 Ų | 40.7 | 16% | 0.158 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -48.5 | 179.9 | -178.9 | -178.6 | 177.5 | 152.7 | 5.4 | 110.7 | E240 V243 M441 L444 D445 R450 C451 L452 | E240-R448 IonicContact OE1-CZ 3.74Å; E240-R448 IonicContact OE1-NH1 2.71Å; E240-R448 PolarHBondContact OE1-NH1 3.27Å; E240-R448 IonicContact OE1-NH2 3.74Å; E240-R448 PolarHBondContact OE1-NH2 3Å; V243-R448 HydrophobicContact CG1-CB 3.92Å; V243-R448 HydrophobicContact CG1-CG 4.18Å; V243-R448 HydrophobicContact CG2-CB 4.37Å; V243-R448 HydrophobicContact CG2-CG 3.84Å; M441-R448 HydrophobicContact CE-CG 4.46Å; L444-R448 WeakPolarHBondContact O-CB 3.24Å; L444-R448 PolarHBondContact O-N 3.1Å; D445-R448 WeakPolarHBondContact O-CB 3.43Å; D445-R448 PolarHBondContact O-N 3.42Å; R448-R450 VanDerWaalsContact C-N 3.3Å; R448-R450 PolarHBondContact O-N 2.71Å; R448-C451 CarbonylContact O-C 3.57Å; R448-C451 WeakPolarHBondContact O-CA 3.13Å; R448-C451 WeakPolarHBondContact O-CB 3.44Å; R448-C451 PolarHBondContact O-N 2.99Å; R448-C451 VanDerWaalsContact O-N 3.1Å; R448-L452 HydrophobicContact CG-CD1 4.16Å; R448-L452 HydrophobicContact CG-CG 4.31Å; R448-L452 WeakPolarHBondContact O-CG 3.4Å; R448-L452 PolarHBondContact O-N 3.09Å |
| 449 | Y | 62.9 | Low | 70.2 | Confident | 28 Ų | 28 | 31.5 Ų | 31.5 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | -179.5 | -71.9 | -62.8 | 0 | 0 | 0 | 113 | D445 F447 C451 L452 D453 I618 D620 R905 | D445-Y449 VanDerWaalsContact O-CD2 3.26Å; D445-Y449 WeakPolarHBondContact O-CD2 3.15Å; D445-Y449 PolarHBondContact O-N 2.74Å; F447-Y449 PolarHBondContact O-N 3.47Å; Y449-C451 VanDerWaalsContact C-N 3.31Å; Y449-C451 PolarHBondContact O-N 3.39Å; Y449-L452 HydrophobicContact CD1-CD1 4.42Å; Y449-L452 PolarHBondContact O-N 3.22Å; Y449-D453 PolarHBondContact O-N 3.32Å; Y449-I618 HydrophobicContact CD1-CD1 3.86Å; Y449-I618 HydrophobicContact CE1-CD1 3.43Å; Y449-I618 VanDerWaalsContact CE1-CD1 3.43Å; Y449-I618 HydrophobicContact CE1-CG2 4.19Å; Y449-D620 HydrophobicContact CD2-CB 4.21Å; Y449-D620 HydrophobicContact CE2-CB 3.87Å; Y449-R905 WeakPolarHBondContact OH-CD 3.42Å; Y449-R905 WeakPolarHBondContact OH-CG 3.36Å; Y449-R905 PolarHBondContact OH-NE 2.89Å |
| 450 | R | 67.2 | Low | 70.2 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.2 | -163.3 | 179.3 | -165.7 | 174.5 | 6.9 | 112 | F278 F447 R448 A454 H509 L510 H512 V513 | F278-R450 HydrophobicContact CE1-CG 4.17Å; F278-R450 HydrophobicContact CZ-CG 4.37Å; F447-R450 WeakPolarHBondContact O-CB 3.29Å; F447-R450 PolarHBondContact O-N 3.32Å; R448-R450 VanDerWaalsContact C-N 3.3Å; R448-R450 PolarHBondContact O-N 2.71Å; R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 2.68Å; R450-H509 PolarHBondContact NH2-O 3.46Å; R450-L510 HydrophobicContact CG-CD2 3.87Å; R450-L510 VanDerWaalsContact NH2-CA 3.33Å; R450-L510 PolarHBondContact NH2-O 2.65Å; R450-H512 PolarHBondContact NH1-O 3.28Å; R450-H512 PolarHBondContact NH2-O 3.32Å; R450-V513 VanDerWaalsContact NH1-CA 3.27Å |
| 451 | C | 78.3 | Confident | 70.3 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 171.9 | -67.9 | 0 | 0 | 0 | 0 | 111.5 | V243 F274 F278 F447 R448 Y449 D453 A454 L455 | V243-C451 HydrophobicContact CB-CB 4.23Å; V243-C451 HydrophobicContact CG1-CB 4.44Å; V243-C451 HydrophobicContact CG2-CB 3.64Å; F274-C451 HydrophobicContact CE2-CB 4Å; F274-C451 WeakPolarHBondContact CE2-O 3.3Å; F274-C451 HydrophobicContact CZ-CB 3.93Å; F278-C451 HydrophobicContact CZ-CB 4.36Å; F447-C451 WeakPolarHBondContact CE1-SG 3.42Å; F447-C451 PolarHBondContact O-N 3.24Å; F447-C451 PolarHBondContact O-SG 3.07Å; R448-C451 CarbonylContact O-C 3.57Å; R448-C451 WeakPolarHBondContact O-CA 3.13Å; R448-C451 WeakPolarHBondContact O-CB 3.44Å; R448-C451 PolarHBondContact O-N 2.99Å; R448-C451 VanDerWaalsContact O-N 3.1Å; Y449-C451 VanDerWaalsContact C-N 3.31Å; Y449-C451 PolarHBondContact O-N 3.39Å; C451-D453 PolarHBondContact O-N 3.02Å; C451-A454 PolarHBondContact O-N 3.3Å; C451-L455 WeakPolarHBondContact O-CB 3.46Å; C451-L455 PolarHBondContact O-N 3Å |
| 452 | L | 76.1 | Confident | 70.5 | Confident | 19 Ų | 19 | 36.8 Ų | 36.8 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 178.2 | -69.4 | 178 | 0 | 0 | 0 | 111.9 | E239 R448 Y449 L455 H456 | E239-L452 HydrophobicContact CB-CD2 3.74Å; E239-L452 HydrophobicContact CG-CD2 3.97Å; E239-L452 WeakPolarHBondContact OE2-CD2 3.44Å; R448-L452 HydrophobicContact CG-CD1 4.16Å; R448-L452 HydrophobicContact CG-CG 4.31Å; R448-L452 WeakPolarHBondContact O-CG 3.4Å; R448-L452 PolarHBondContact O-N 3.09Å; Y449-L452 HydrophobicContact CD1-CD1 4.42Å; Y449-L452 PolarHBondContact O-N 3.22Å; L452-L455 WeakPolarHBondContact O-CB 3.03Å; L452-L455 PolarHBondContact O-N 3.02Å; L452-H456 WeakPolarHBondContact O-CB 3.42Å; L452-H456 PolarHBondContact O-N 3.26Å; L452-H456 PolarHBondContact O-ND1 3.24Å |
| 453 | D | 68.4 | Low | 71.3 | Confident | 23 Ų | 23 | 30 Ų | 30 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -43.1 | 175.7 | -85.7 | -11.8 | 0 | 0 | 0 | 112.2 | Y449 C451 L455 H456 S457 K617 Y707 | Y449-D453 PolarHBondContact O-N 3.32Å; C451-D453 PolarHBondContact O-N 3.02Å; D453-L455 VanDerWaalsContact C-N 3.31Å; D453-L455 PolarHBondContact O-N 3.5Å; D453-H456 PolarHBondContact O-N 2.88Å; D453-S457 PolarHBondContact O-N 3.01Å; D453-K617 IonicContact OD1-NZ 2.56Å; D453-K617 PolarHBondContact OD1-NZ 2.78Å; D453-Y707 HydrophobicContact CB-CE2 4.24Å; D453-Y707 VanDerWaalsContact CB-OH 3.27Å; D453-Y707 WeakPolarHBondContact CB-OH 3.05Å; D453-Y707 VanDerWaalsContact CG-OH 3.27Å; D453-Y707 PolarHBondContact OD2-OH 3.08Å |
| 454 | A | 74.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -42.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F274 F277 F278 R450 C451 S457 V458 L510 | F274-A454 HydrophobicContact CD2-CB 4.1Å; F274-A454 HydrophobicContact CE2-CB 4.1Å; F277-A454 HydrophobicContact CB-CB 4.11Å; F277-A454 HydrophobicContact CD2-CB 3.95Å; F277-A454 HydrophobicContact CG-CB 4.14Å; F278-A454 HydrophobicContact CE2-CB 3.61Å; F278-A454 HydrophobicContact CZ-CB 3.86Å; R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 2.68Å; C451-A454 PolarHBondContact O-N 3.3Å; A454-S457 WeakPolarHBondContact O-CB 3.43Å; A454-S457 PolarHBondContact O-N 2.97Å; A454-S457 PolarHBondContact O-OG 3.42Å; A454-V458 WeakPolarHBondContact O-CG2 3.13Å; A454-V458 PolarHBondContact O-N 3.41Å; A454-L510 HydrophobicContact CB-CD1 4.29Å |
| 455 | L | 79.5 | Confident | 72.3 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 179.1 | -172.4 | 64.9 | 0 | 0 | 0 | 111.8 | E239 F242 F274 C451 L452 D453 S457 V458 | E239-L455 HydrophobicContact CG-CD2 4.3Å; F242-L455 HydrophobicContact CB-CD1 4.43Å; F242-L455 HydrophobicContact CB-CD2 4.47Å; F242-L455 HydrophobicContact CD1-CD1 3.6Å; F242-L455 HydrophobicContact CD2-CD1 3.85Å; F242-L455 HydrophobicContact CD2-CD2 3.85Å; F242-L455 HydrophobicContact CE1-CD1 3.7Å; F242-L455 HydrophobicContact CE2-CD1 3.97Å; F242-L455 HydrophobicContact CE2-CD2 4.35Å; F242-L455 HydrophobicContact CG-CD1 3.69Å; F242-L455 HydrophobicContact CG-CD2 4.16Å; F242-L455 HydrophobicContact CZ-CD1 3.9Å; F274-L455 HydrophobicContact CD2-CB 4.15Å; F274-L455 HydrophobicContact CD2-CD1 4.2Å; F274-L455 HydrophobicContact CE2-CB 4.32Å; C451-L455 WeakPolarHBondContact O-CB 3.46Å; C451-L455 PolarHBondContact O-N 3Å; L452-L455 WeakPolarHBondContact O-CB 3.03Å; L452-L455 PolarHBondContact O-N 3.02Å; D453-L455 VanDerWaalsContact C-N 3.31Å; D453-L455 PolarHBondContact O-N 3.5Å; L455-S457 PolarHBondContact O-N 2.94Å; L455-V458 PolarHBondContact O-N 3.11Å; L455-V458 VanDerWaalsContact O-N 3.08Å |
| 456 | H | 74.8 | Confident | 73.1 | Confident | 98 Ų | 98 | 37.5 Ų | 37.5 | 45% | 0.454 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.5 | -26.3 | 175.3 | -67.5 | 155.9 | 0 | 0 | 0 | 112.4 | L452 D453 V458 | L452-H456 WeakPolarHBondContact O-CB 3.42Å; L452-H456 PolarHBondContact O-N 3.26Å; L452-H456 PolarHBondContact O-ND1 3.24Å; D453-H456 PolarHBondContact O-N 2.88Å; H456-V458 VanDerWaalsContact C-N 3.28Å; H456-V458 PolarHBondContact O-N 3.23Å |
| 457 | S | 67.8 | Low | 74.1 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.6 | -21.9 | 172.8 | 85 | 0 | 0 | 0 | 0 | 113.7 | F277 D453 A454 L455 T459 R504 | F277-S457 WeakPolarHBondContact CE2-OG 3.38Å; F277-S457 WeakPolarHBondContact CZ-OG 3.45Å; D453-S457 PolarHBondContact O-N 3.01Å; A454-S457 WeakPolarHBondContact O-CB 3.43Å; A454-S457 PolarHBondContact O-N 2.97Å; A454-S457 PolarHBondContact O-OG 3.42Å; L455-S457 PolarHBondContact O-N 2.94Å; S457-T459 PolarHBondContact O-N 3.14Å; S457-R504 PolarHBondContact O-NH1 3.29Å |
| 458 | V | 79 | Confident | 74.5 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -86.6 | 78.9 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | K270 L273 F274 F277 A454 L455 H456 I463 | K270-V458 HydrophobicContact CB-CG1 4.33Å; K270-V458 HydrophobicContact CG-CB 4.47Å; K270-V458 HydrophobicContact CG-CG1 3.84Å; L273-V458 HydrophobicContact CB-CG1 3.84Å; L273-V458 HydrophobicContact CB-CG2 3.87Å; L273-V458 HydrophobicContact CD1-CG1 3.82Å; L273-V458 HydrophobicContact CG-CG1 4.48Å; F274-V458 HydrophobicContact CB-CG2 4.3Å; F277-V458 HydrophobicContact CD2-CG2 4.39Å; F277-V458 HydrophobicContact CE2-CG2 3.71Å; A454-V458 WeakPolarHBondContact O-CG2 3.13Å; A454-V458 PolarHBondContact O-N 3.41Å; L455-V458 PolarHBondContact O-N 3.11Å; L455-V458 VanDerWaalsContact O-N 3.08Å; H456-V458 VanDerWaalsContact C-N 3.28Å; H456-V458 PolarHBondContact O-N 3.23Å; V458-I463 HydrophobicContact CG1-CD1 4.16Å; V458-I463 HydrophobicContact CG1-CG1 3.86Å |
| 459 | T | 73.3 | Confident | 75 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | trans | -78.2 | 164.5 | 179.2 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | S457 L461 A462 I463 T750 | S457-T459 PolarHBondContact O-N 3.14Å; T459-L461 PolarHBondContact O-N 3.09Å; T459-A462 PolarHBondContact O-N 3.07Å; T459-A462 VanDerWaalsContact O-N 3.12Å; T459-A462 PolarHBondContact OG1-N 2.75Å; T459-I463 WeakPolarHBondContact O-CG1 3.45Å; T459-I463 PolarHBondContact O-N 2.81Å; T459-T750 HydrophobicContact CG2-CG2 3.83Å | ||
| 460 | S | 74.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 45.4 Ų | 45.4 | 71% | 0.706 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -58.2 | -32.8 | 172.8 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | R464 | S460-R464 WeakPolarHBondContact O-CB 3.33Å; S460-R464 PolarHBondContact O-N 3.48Å |
| 461 | L | 72.7 | Confident | 76.3 | Confident | 103 Ų | 103 | 48 Ų | 48 | 54% | 0.539 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.1 | -176 | 66.1 | 0 | 0 | 0 | 111.4 | T459 I463 R464 E465 | T459-L461 PolarHBondContact O-N 3.09Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 2.97Å; L461-R464 PolarHBondContact O-N 3.24Å; L461-E465 HydrophobicContact CD1-CG 4.5Å; L461-E465 HydrophobicContact CG-CG 4.49Å; L461-E465 WeakPolarHBondContact O-CB 3.4Å; L461-E465 WeakPolarHBondContact O-CG 3.31Å; L461-E465 PolarHBondContact O-N 3.42Å |
| 462 | A | 73.1 | Confident | 76.1 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 13% | 0.132 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L273 T459 A466 | L273-A462 HydrophobicContact CD1-CB 4.32Å; T459-A462 PolarHBondContact O-N 3.07Å; T459-A462 VanDerWaalsContact O-N 3.12Å; T459-A462 PolarHBondContact OG1-N 2.75Å; A462-A466 VanDerWaalsContact O-CB 3.31Å; A462-A466 WeakPolarHBondContact O-CB 3.34Å; A462-A466 PolarHBondContact O-N 2.77Å |
| 463 | I | 79.5 | Confident | 76.1 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 173.5 | -68.9 | 164 | 0 | 0 | 0 | 110.4 | D266 F269 K270 L273 V458 T459 L461 E465 A466 R467 | D266-I463 HydrophobicContact CB-CG2 4Å; F269-I463 HydrophobicContact CB-CG2 3.82Å; K270-I463 HydrophobicContact CB-CD1 3.68Å; K270-I463 HydrophobicContact CB-CG1 4.22Å; K270-I463 HydrophobicContact CD-CD1 4.26Å; K270-I463 HydrophobicContact CG-CD1 3.98Å; L273-I463 HydrophobicContact CD1-CG1 4.31Å; V458-I463 HydrophobicContact CG1-CD1 4.16Å; V458-I463 HydrophobicContact CG1-CG1 3.86Å; T459-I463 WeakPolarHBondContact O-CG1 3.45Å; T459-I463 PolarHBondContact O-N 2.81Å; L461-I463 VanDerWaalsContact C-N 3.31Å; L461-I463 PolarHBondContact O-N 2.97Å; I463-E465 PolarHBondContact O-N 3.36Å; I463-A466 PolarHBondContact O-N 2.78Å; I463-R467 WeakPolarHBondContact O-CB 3.37Å; I463-R467 PolarHBondContact O-N 2.71Å |
| 464 | R | 76.8 | Confident | 76.5 | Confident | 166 Ų | 166 | 54.2 Ų | 54.2 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 179 | -177.5 | 179.7 | 177.6 | -175.9 | -1.2 | 111.8 | S460 L461 R467 L468 | S460-R464 WeakPolarHBondContact O-CB 3.33Å; S460-R464 PolarHBondContact O-N 3.48Å; L461-R464 PolarHBondContact O-N 3.24Å; R464-R467 PolarHBondContact O-N 3.15Å; R464-L468 HydrophobicContact CG-CD1 3.93Å; R464-L468 HydrophobicContact CG-CG 4.37Å; R464-L468 WeakPolarHBondContact O-CB 3.37Å; R464-L468 VanDerWaalsContact O-CG 3.25Å; R464-L468 WeakPolarHBondContact O-CG 3.38Å; R464-L468 PolarHBondContact O-N 2.77Å |
| 465 | E | 77.3 | Confident | 76.4 | Confident | 78 Ų | 78 | 55.3 Ų | 55.3 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.2 | -77.6 | 177.2 | 173.1 | 0 | 0 | 111.8 | L461 I463 K469 I501 | L461-E465 HydrophobicContact CD1-CG 4.5Å; L461-E465 HydrophobicContact CG-CG 4.49Å; L461-E465 WeakPolarHBondContact O-CB 3.4Å; L461-E465 WeakPolarHBondContact O-CG 3.31Å; L461-E465 PolarHBondContact O-N 3.42Å; I463-E465 PolarHBondContact O-N 3.36Å; E465-K469 VanDerWaalsContact O-CB 3.29Å; E465-K469 WeakPolarHBondContact O-CB 3.31Å; E465-K469 PolarHBondContact O-N 2.9Å; E465-I501 HydrophobicContact CB-CG2 3.82Å; E465-I501 HydrophobicContact CG-CG2 4.18Å |
| 466 | A | 80 | Confident | 76.1 | Confident | 24 Ų | 24 | 58 Ų | 58 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F269 L273 A462 I463 K469 E470 | F269-A466 HydrophobicContact CD1-CB 3.89Å; F269-A466 HydrophobicContact CE1-CB 4.35Å; L273-A466 HydrophobicContact CD1-CB 4.1Å; L273-A466 HydrophobicContact CD2-CB 4.23Å; L273-A466 HydrophobicContact CG-CB 4.47Å; A462-A466 VanDerWaalsContact O-CB 3.31Å; A462-A466 WeakPolarHBondContact O-CB 3.34Å; A462-A466 PolarHBondContact O-N 2.77Å; I463-A466 PolarHBondContact O-N 2.78Å; A466-K469 PolarHBondContact O-N 3.43Å; A466-E470 PolarHBondContact O-N 2.9Å; A466-E470 VanDerWaalsContact O-N 3.17Å |
| 467 | R | 83 | Confident | 76 | Confident | 57 Ų | 57 | 60 Ų | 60 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 175.8 | -178.3 | 175.5 | 176.5 | -178.2 | -0.5 | 111.9 | D266 F269 E288 I463 R464 K469 E470 I471 | D266-R467 IonicContact OD1-CZ 2.72Å; D266-R467 IonicContact OD1-NH1 3.9Å; D266-R467 PolarHBondContact OD1-NH1 3.15Å; D266-R467 IonicContact OD2-NH1 3.72Å; F269-R467 HydrophobicContact CD2-CB 3.96Å; F269-R467 HydrophobicContact CD2-CG 4.25Å; F269-R467 HydrophobicContact CE1-CB 4.29Å; F269-R467 HydrophobicContact CE2-CB 3.73Å; F269-R467 HydrophobicContact CE2-CG 3.73Å; F269-R467 HydrophobicContact CG-CB 4.36Å; F269-R467 HydrophobicContact CZ-CB 3.93Å; F269-R467 HydrophobicContact CZ-CG 4.17Å; E288-R467 IonicContact OE1-CZ 3.89Å; E288-R467 IonicContact OE1-NE 3.97Å; E288-R467 PolarHBondContact OE1-NE 3.08Å; E288-R467 IonicContact OE1-NH2 3.02Å; E288-R467 PolarHBondContact OE1-NH2 3.4Å; E288-R467 IonicContact OE2-CZ 3.29Å; E288-R467 IonicContact OE2-NE 3.69Å; E288-R467 PolarHBondContact OE2-NE 3.2Å; E288-R467 IonicContact OE2-NH2 2.87Å; E288-R467 PolarHBondContact OE2-NH2 2.85Å; I463-R467 WeakPolarHBondContact O-CB 3.37Å; I463-R467 PolarHBondContact O-N 2.71Å; R464-R467 PolarHBondContact O-N 3.15Å; R467-K469 VanDerWaalsContact C-N 3.3Å; R467-K469 PolarHBondContact O-N 3.23Å; R467-E470 PolarHBondContact O-N 3.35Å; R467-I471 HydrophobicContact CG-CD1 4.03Å; R467-I471 WeakPolarHBondContact O-CG1 3.29Å; R467-I471 PolarHBondContact O-N 2.61Å; R467-I471 VanDerWaalsContact O-N 3.1Å |
| 468 | L | 77.5 | Confident | 76.2 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 44% | 0.44 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.5 | -74 | 173.4 | 0 | 0 | 0 | 112.1 | R464 K472 | R464-L468 HydrophobicContact CG-CD1 3.93Å; R464-L468 HydrophobicContact CG-CG 4.37Å; R464-L468 WeakPolarHBondContact O-CB 3.37Å; R464-L468 VanDerWaalsContact O-CG 3.25Å; R464-L468 WeakPolarHBondContact O-CG 3.38Å; R464-L468 PolarHBondContact O-N 2.77Å; L468-K472 WeakPolarHBondContact O-CB 3.38Å; L468-K472 PolarHBondContact O-N 3.08Å |
| 469 | K | 78.2 | Confident | 75.7 | Confident | 84 Ų | 84 | 66.9 Ų | 66.9 | 37% | 0.365 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 175.5 | -179.3 | -179.5 | 171.5 | -178.7 | 0 | 111.6 | E465 A466 R467 K472 E473 I501 | E465-K469 VanDerWaalsContact O-CB 3.29Å; E465-K469 WeakPolarHBondContact O-CB 3.31Å; E465-K469 PolarHBondContact O-N 2.9Å; A466-K469 PolarHBondContact O-N 3.43Å; R467-K469 VanDerWaalsContact C-N 3.3Å; R467-K469 PolarHBondContact O-N 3.23Å; K469-K472 PolarHBondContact O-N 3.48Å; K469-E473 WeakPolarHBondContact CE-OE1 3.47Å; K469-E473 IonicContact NZ-OE1 3.8Å; K469-E473 WeakPolarHBondContact O-CG 3.45Å; K469-E473 PolarHBondContact O-N 3.22Å; K469-I501 HydrophobicContact CB-CD1 4.15Å |
| 470 | E | 79.6 | Confident | 75.1 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 15% | 0.15 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | -178.7 | -162.9 | 166.9 | 135.4 | 0 | 0 | 111.7 | F269 K272 L289 A466 R467 K472 E473 E474 | F269-E470 HydrophobicContact CE1-CB 4.45Å; F269-E470 WeakPolarHBondContact CE1-OE2 3.47Å; F269-E470 HydrophobicContact CZ-CB 4.32Å; K272-E470 IonicContact NZ-OE2 3.92Å; K272-E470 PolarHBondContact NZ-OE2 3.4Å; L289-E470 HydrophobicContact CD1-CG 4.46Å; A466-E470 PolarHBondContact O-N 2.9Å; A466-E470 VanDerWaalsContact O-N 3.17Å; R467-E470 PolarHBondContact O-N 3.35Å; E470-K472 VanDerWaalsContact C-N 3.35Å; E470-K472 PolarHBondContact O-N 2.96Å; E470-E473 PolarHBondContact O-N 2.91Å; E470-E474 PolarHBondContact O-N 3.43Å; E470-E474 VanDerWaalsContact O-N 3.1Å |
| 471 | I | 77.7 | Confident | 74.7 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 29% | 0.292 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.8 | -63.7 | 168.2 | 0 | 0 | 0 | 111.3 | R467 E474 A475 | R467-I471 HydrophobicContact CG-CD1 4.03Å; R467-I471 WeakPolarHBondContact O-CG1 3.29Å; R467-I471 PolarHBondContact O-N 2.61Å; R467-I471 VanDerWaalsContact O-N 3.1Å; I471-E474 PolarHBondContact O-N 3.45Å; I471-A475 WeakPolarHBondContact O-CB 3.5Å; I471-A475 PolarHBondContact O-N 3.37Å |
| 472 | K | 73.9 | Confident | 74.5 | Confident | 47 Ų | 47 | 71.8 Ų | 71.8 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 179.4 | 176.4 | 175.3 | 174.8 | 169.3 | 0 | 112.1 | L468 K469 E470 E474 A475 L476 I495 D498 | L468-K472 WeakPolarHBondContact O-CB 3.38Å; L468-K472 PolarHBondContact O-N 3.08Å; K469-K472 PolarHBondContact O-N 3.48Å; E470-K472 VanDerWaalsContact C-N 3.35Å; E470-K472 PolarHBondContact O-N 2.96Å; K472-E474 PolarHBondContact O-N 3.17Å; K472-A475 PolarHBondContact O-N 3.24Å; K472-L476 HydrophobicContact CG-CD1 4.28Å; K472-L476 WeakPolarHBondContact O-CG 3.41Å; K472-L476 PolarHBondContact O-N 2.94Å; K472-I495 HydrophobicContact CD-CG2 4.35Å; K472-I495 WeakPolarHBondContact CE-O 3.13Å; K472-I495 HydrophobicContact CG-CG2 3.93Å; K472-I495 PolarHBondContact NZ-O 3.27Å; K472-D498 PolarHBondContact NZ-O 3.34Å |
| 473 | E | 76.9 | Confident | 74.3 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 176.3 | -75.8 | 175.8 | -171.6 | 0 | 0 | 111.3 | K469 E470 K477 | K469-E473 WeakPolarHBondContact CE-OE1 3.47Å; K469-E473 IonicContact NZ-OE1 3.8Å; K469-E473 WeakPolarHBondContact O-CG 3.45Å; K469-E473 PolarHBondContact O-N 3.22Å; E470-E473 PolarHBondContact O-N 2.91Å; E473-K477 VanDerWaalsContact O-CG 3.3Å; E473-K477 WeakPolarHBondContact O-CG 3.14Å; E473-K477 PolarHBondContact O-N 3.4Å |
| 474 | E | 76.5 | Confident | 73.9 | Confident | 41 Ų | 41 | 77.8 Ų | 77.8 | 19% | 0.192 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -70.6 | -42.8 | 176.1 | -169.8 | 56.4 | -148.7 | 0 | 0 | 112.6 | L289 P290 S293 E470 I471 K472 L476 K477 S478 | L289-E474 HydrophobicContact CD2-CB 3.86Å; L289-E474 HydrophobicContact CD2-CG 4Å; P290-E474 HydrophobicContact CG-CG 4.35Å; S293-E474 VanDerWaalsContact CB-CD 3.49Å; S293-E474 WeakPolarHBondContact CB-OE1 2.75Å; S293-E474 PolarHBondContact OG-OE1 3.1Å; E470-E474 PolarHBondContact O-N 3.43Å; E470-E474 VanDerWaalsContact O-N 3.1Å; I471-E474 PolarHBondContact O-N 3.45Å; K472-E474 PolarHBondContact O-N 3.17Å; E474-L476 VanDerWaalsContact C-N 3.26Å; E474-L476 PolarHBondContact O-N 3.36Å; E474-K477 PolarHBondContact O-N 3.32Å; E474-S478 PolarHBondContact O-N 3.47Å |
| 475 | A | 72.8 | Confident | 73.7 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.7 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I471 K472 K477 L481 | I471-A475 WeakPolarHBondContact O-CB 3.5Å; I471-A475 PolarHBondContact O-N 3.37Å; K472-A475 PolarHBondContact O-N 3.24Å; A475-K477 VanDerWaalsContact C-N 3.35Å; A475-L481 HydrophobicContact CB-CD1 3.98Å; A475-L481 WeakPolarHBondContact O-CD1 3.46Å |
| 476 | L | 73.3 | Confident | 73.5 | Confident | 66 Ų | 66 | 70.8 Ų | 70.8 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -70.7 | -27.7 | 176 | -72.2 | 171 | 0 | 0 | 0 | 113.4 | K472 E474 L492 I495 R496 | K472-L476 HydrophobicContact CG-CD1 4.28Å; K472-L476 WeakPolarHBondContact O-CG 3.41Å; K472-L476 PolarHBondContact O-N 2.94Å; E474-L476 VanDerWaalsContact C-N 3.26Å; E474-L476 PolarHBondContact O-N 3.36Å; L476-L492 HydrophobicContact CD2-CD1 3.91Å; L476-I495 HydrophobicContact CD2-CG2 3.97Å; L476-I495 HydrophobicContact CG-CG2 4.2Å; L476-R496 HydrophobicContact CD2-CG 4.36Å |
| 477 | K | 71.5 | Confident | 73.3 | Confident | 141 Ų | 141 | 76.9 Ų | 76.9 | 61% | 0.613 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -84.5 | -18.7 | 177.8 | -71.8 | 171.3 | -173.8 | 172.8 | 0 | 113.2 | E473 E474 A475 E479 | E473-K477 VanDerWaalsContact O-CG 3.3Å; E473-K477 WeakPolarHBondContact O-CG 3.14Å; E473-K477 PolarHBondContact O-N 3.4Å; E474-K477 PolarHBondContact O-N 3.32Å; A475-K477 VanDerWaalsContact C-N 3.35Å; K477-E479 PolarHBondContact O-N 3.35Å |
| 478 | S | 73.4 | Confident | 73.1 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 19% | 0.189 | 38% | 0.383 | C | S | . | . | trans | -67 | 117.5 | -174.4 | -172.1 | 0 | 0 | 0 | 0 | 112.7 | E474 K480 L481 K482 | E474-S478 PolarHBondContact O-N 3.47Å; S478-K480 PolarHBondContact O-N 3.41Å; S478-L481 PolarHBondContact O-N 3.46Å; S478-L481 VanDerWaalsContact O-N 3.15Å; S478-K482 PolarHBondContact O-N 3.32Å | ||
| 479 | E | 67.7 | Low | 73 | Confident | 128 Ų | 128 | 75.8 Ų | 75.8 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.1 | -37.3 | 173.5 | -158.7 | 65.6 | -152.3 | 0 | 0 | 111.8 | K477 L481 K482 | K477-E479 PolarHBondContact O-N 3.35Å; E479-L481 PolarHBondContact O-N 2.91Å; E479-K482 VanDerWaalsContact CD-NZ 3.34Å; E479-K482 WeakPolarHBondContact O-CB 3.2Å; E479-K482 PolarHBondContact O-N 3.07Å; E479-K482 WeakPolarHBondContact OE1-CD 3.4Å; E479-K482 IonicContact OE1-NZ 3.77Å; E479-K482 PolarHBondContact OE1-NZ 3.04Å; E479-K482 WeakPolarHBondContact OE2-CD 3.47Å; E479-K482 WeakPolarHBondContact OE2-CE 2.99Å; E479-K482 IonicContact OE2-NZ 3.31Å; E479-K482 PolarHBondContact OE2-NZ 3.1Å |
| 480 | K | 61 | Low | 72.8 | Confident | 170 Ų | 170 | 80.8 Ų | 80.8 | 74% | 0.739 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.9 | -27.2 | 179.6 | -66 | -173.9 | 179.8 | -179.4 | 0 | 112.7 | S478 S483 | S478-K480 PolarHBondContact O-N 3.41Å; K480-S483 PolarHBondContact O-OG 3.45Å |
| 481 | L | 66.2 | Low | 72.5 | Confident | 60 Ų | 60 | 81.2 Ų | 81.2 | 31% | 0.314 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -91.7 | -13.6 | 176.7 | -68.2 | 172.9 | 0 | 0 | 0 | 112.5 | A475 S478 E479 S483 Y484 F485 | A475-L481 HydrophobicContact CB-CD1 3.98Å; A475-L481 WeakPolarHBondContact O-CD1 3.46Å; S478-L481 PolarHBondContact O-N 3.46Å; S478-L481 VanDerWaalsContact O-N 3.15Å; E479-L481 PolarHBondContact O-N 2.91Å; L481-S483 VanDerWaalsContact C-N 3.35Å; L481-S483 PolarHBondContact O-N 2.86Å; L481-Y484 PolarHBondContact O-N 3.31Å; L481-F485 HydrophobicContact CB-CD2 3.9Å; L481-F485 HydrophobicContact CB-CE2 3.56Å; L481-F485 HydrophobicContact CB-CZ 4.27Å; L481-F485 HydrophobicContact CD1-CE2 4.27Å; L481-F485 HydrophobicContact CD1-CZ 4.44Å; L481-F485 HydrophobicContact CG-CE2 4.45Å; L481-F485 WeakPolarHBondContact O-CB 3.35Å; L481-F485 WeakPolarHBondContact O-CD2 3.33Å; L481-F485 WeakPolarHBondContact O-CG 3.49Å; L481-F485 PolarHBondContact O-N 3.02Å |
| 482 | K | 68.3 | Low | 72.1 | Confident | 106 Ų | 106 | 80.1 Ų | 80.1 | 46% | 0.461 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.7 | -73 | -171.6 | -170.6 | 166.8 | 0 | 112 | S478 E479 F485 A486 | S478-K482 PolarHBondContact O-N 3.32Å; E479-K482 VanDerWaalsContact CD-NZ 3.34Å; E479-K482 WeakPolarHBondContact O-CB 3.2Å; E479-K482 PolarHBondContact O-N 3.07Å; E479-K482 WeakPolarHBondContact OE1-CD 3.4Å; E479-K482 IonicContact OE1-NZ 3.77Å; E479-K482 PolarHBondContact OE1-NZ 3.04Å; E479-K482 WeakPolarHBondContact OE2-CD 3.47Å; E479-K482 WeakPolarHBondContact OE2-CE 2.99Å; E479-K482 IonicContact OE2-NZ 3.31Å; E479-K482 PolarHBondContact OE2-NZ 3.1Å; K482-F485 PolarHBondContact O-N 2.79Å; K482-A486 WeakPolarHBondContact O-CB 3.39Å; K482-A486 PolarHBondContact O-N 3.09Å |
| 483 | S | 68.5 | Low | 71.7 | Confident | 77 Ų | 77 | 83 Ų | 83 | 54% | 0.538 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 174.4 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | K480 L481 F485 A486 E487 | K480-S483 PolarHBondContact O-OG 3.45Å; L481-S483 VanDerWaalsContact C-N 3.35Å; L481-S483 PolarHBondContact O-N 2.86Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.27Å; S483-A486 WeakPolarHBondContact O-CB 3.5Å; S483-A486 PolarHBondContact O-N 3.27Å; S483-E487 PolarHBondContact O-N 2.8Å |
| 484 | Y | 70.9 | Confident | 71.2 | Confident | 79 Ų | 79 | 84.3 Ų | 84.3 | 31% | 0.31 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58 | -44 | 175.3 | 178.2 | -89 | 0 | 0 | 0 | 112.5 | L481 E487 N488 D491 | L481-Y484 PolarHBondContact O-N 3.31Å; Y484-E487 PolarHBondContact O-N 2.86Å; Y484-N488 HydrophobicContact CE1-CB 4.11Å; Y484-N488 WeakPolarHBondContact O-CB 3.03Å; Y484-N488 PolarHBondContact O-N 3.02Å; Y484-N488 PolarHBondContact O-ND2 2.8Å; Y484-N488 VanDerWaalsContact O-ND2 3.08Å; Y484-D491 HydrophobicContact CE1-CB 4.16Å; Y484-D491 WeakPolarHBondContact CE1-OD2 3.3Å; Y484-D491 PolarHBondContact OH-OD2 2.77Å |
| 485 | F | 73.8 | Confident | 70.5 | Confident | 16 Ų | 16 | 84.6 Ų | 84.6 | 7% | 0.07 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -73.3 | -27.1 | 178.2 | -71.2 | -43 | 0 | 0 | 0 | 113.5 | L481 K482 S483 N488 P489 D491 L492 I495 | L481-F485 HydrophobicContact CB-CD2 3.9Å; L481-F485 HydrophobicContact CB-CE2 3.56Å; L481-F485 HydrophobicContact CB-CZ 4.27Å; L481-F485 HydrophobicContact CD1-CE2 4.27Å; L481-F485 HydrophobicContact CD1-CZ 4.44Å; L481-F485 HydrophobicContact CG-CE2 4.45Å; L481-F485 WeakPolarHBondContact O-CB 3.35Å; L481-F485 WeakPolarHBondContact O-CD2 3.33Å; L481-F485 WeakPolarHBondContact O-CG 3.49Å; L481-F485 PolarHBondContact O-N 3.02Å; K482-F485 PolarHBondContact O-N 2.79Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.27Å; F485-N488 CarbonylContact O-C 3.58Å; F485-N488 VanDerWaalsContact O-C 3.26Å; F485-P489 WeakPolarHBondContact O-CA 3.27Å; F485-D491 HydrophobicContact CD1-CB 4.44Å; F485-D491 HydrophobicContact CE1-CB 4.43Å; F485-L492 HydrophobicContact CB-CB 3.98Å; F485-L492 HydrophobicContact CB-CD1 4.15Å; F485-L492 HydrophobicContact CB-CD2 4.33Å; F485-L492 HydrophobicContact CB-CG 4.37Å; F485-L492 HydrophobicContact CD1-CB 3.8Å; F485-L492 HydrophobicContact CD1-CD1 4.22Å; F485-L492 HydrophobicContact CD2-CD1 3.91Å; F485-L492 HydrophobicContact CE2-CD1 4.38Å; F485-L492 HydrophobicContact CG-CB 3.99Å; F485-L492 HydrophobicContact CG-CD1 3.84Å; F485-L492 HydrophobicContact CG-CG 4.41Å; F485-I495 HydrophobicContact CE1-CD1 3.45Å; F485-I495 VanDerWaalsContact CE1-CD1 3.45Å; F485-I495 HydrophobicContact CZ-CD1 3.37Å |
| 486 | A | 73.3 | Confident | 70 | Confident | 81 Ų | 81 | 91.5 Ų | 91.5 | 67% | 0.669 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.9 | -41.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K482 S483 | K482-A486 WeakPolarHBondContact O-CB 3.39Å; K482-A486 PolarHBondContact O-N 3.09Å; S483-A486 WeakPolarHBondContact O-CB 3.5Å; S483-A486 PolarHBondContact O-N 3.27Å |
| 487 | E | 75.8 | Confident | 68.9 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 71% | 0.71 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.9 | -33.1 | 174.3 | -68.7 | 177.4 | -179.3 | 0 | 0 | 112.6 | S483 Y484 P489 | S483-E487 PolarHBondContact O-N 2.8Å; Y484-E487 PolarHBondContact O-N 2.86Å; E487-P489 VanDerWaalsContact C-CD 3.45Å; E487-P489 VanDerWaalsContact O-CD 3.3Å; E487-P489 WeakPolarHBondContact O-CD 3.33Å |
| 488 | N | 77.4 | Confident | 67.8 | Low | 47 Ų | 47 | 93.8 Ų | 93.8 | 25% | 0.251 | 46% | 0.46 | S | S | . | . | trans | -121.5 | 70.5 | -176.7 | -60 | -83 | 0 | 0 | 0 | 111.6 | Y484 F485 R490 D491 L492 | Y484-N488 HydrophobicContact CE1-CB 4.11Å; Y484-N488 WeakPolarHBondContact O-CB 3.03Å; Y484-N488 PolarHBondContact O-N 3.02Å; Y484-N488 PolarHBondContact O-ND2 2.8Å; Y484-N488 VanDerWaalsContact O-ND2 3.08Å; F485-N488 CarbonylContact O-C 3.58Å; F485-N488 VanDerWaalsContact O-C 3.26Å; N488-R490 PolarHBondContact O-N 3.48Å; N488-D491 HydrophobicContact CB-CB 4.2Å; N488-D491 PolarHBondContact O-N 2.79Å; N488-L492 PolarHBondContact O-N 3.4Å | ||
| 489 | P | 77 | Confident | 66.6 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -25.1 | -176.7 | 24.6 | -34.4 | 0 | 0 | 0 | 113.1 | F485 E487 D491 L492 Q493 | F485-P489 WeakPolarHBondContact O-CA 3.27Å; E487-P489 VanDerWaalsContact C-CD 3.45Å; E487-P489 VanDerWaalsContact O-CD 3.3Å; E487-P489 WeakPolarHBondContact O-CD 3.33Å; P489-D491 VanDerWaalsContact C-N 3.31Å; P489-D491 PolarHBondContact O-N 3.17Å; P489-L492 PolarHBondContact O-N 2.76Å; P489-Q493 WeakPolarHBondContact O-CB 3.44Å; P489-Q493 WeakPolarHBondContact O-CG 3.19Å; P489-Q493 PolarHBondContact O-N 3.45Å |
| 490 | R | 74.2 | Confident | 65.4 | Low | 190 Ų | 190 | 100.1 Ų | 100.1 | 72% | 0.717 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.3 | -36 | 174.7 | -65.6 | -174.5 | -171.6 | -177.2 | 3 | 112.1 | N488 Q493 L494 | N488-R490 PolarHBondContact O-N 3.48Å; R490-Q493 WeakPolarHBondContact O-CB 3.38Å; R490-Q493 PolarHBondContact O-N 3.25Å; R490-L494 WeakPolarHBondContact O-CB 3.26Å; R490-L494 VanDerWaalsContact O-CG 3.32Å; R490-L494 WeakPolarHBondContact O-CG 3.3Å; R490-L494 PolarHBondContact O-N 3.19Å |
| 491 | D | 71.6 | Confident | 64.6 | Low | 40 Ų | 40 | 94.7 Ų | 94.7 | 21% | 0.214 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -73 | -38.9 | 179.8 | -66.4 | -5.7 | 0 | 0 | 0 | 110.5 | Y484 F485 N488 P489 Q493 L494 I495 | Y484-D491 HydrophobicContact CE1-CB 4.16Å; Y484-D491 WeakPolarHBondContact CE1-OD2 3.3Å; Y484-D491 PolarHBondContact OH-OD2 2.77Å; F485-D491 HydrophobicContact CD1-CB 4.44Å; F485-D491 HydrophobicContact CE1-CB 4.43Å; N488-D491 HydrophobicContact CB-CB 4.2Å; N488-D491 PolarHBondContact O-N 2.79Å; P489-D491 VanDerWaalsContact C-N 3.31Å; P489-D491 PolarHBondContact O-N 3.17Å; D491-Q493 VanDerWaalsContact C-N 3.33Å; D491-L494 PolarHBondContact O-N 3.1Å; D491-I495 WeakPolarHBondContact O-CG1 3.35Å; D491-I495 PolarHBondContact O-N 3.37Å |
| 492 | L | 69.7 | Low | 63.3 | Low | 35 Ų | 35 | 100.2 Ų | 100.2 | 18% | 0.183 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 171.1 | -177.2 | 66 | 0 | 0 | 0 | 111.4 | L476 F485 N488 P489 I495 R496 | L476-L492 HydrophobicContact CD2-CD1 3.91Å; F485-L492 HydrophobicContact CB-CB 3.98Å; F485-L492 HydrophobicContact CB-CD1 4.15Å; F485-L492 HydrophobicContact CB-CD2 4.33Å; F485-L492 HydrophobicContact CB-CG 4.37Å; F485-L492 HydrophobicContact CD1-CB 3.8Å; F485-L492 HydrophobicContact CD1-CD1 4.22Å; F485-L492 HydrophobicContact CD2-CD1 3.91Å; F485-L492 HydrophobicContact CE2-CD1 4.38Å; F485-L492 HydrophobicContact CG-CB 3.99Å; F485-L492 HydrophobicContact CG-CD1 3.84Å; F485-L492 HydrophobicContact CG-CG 4.41Å; N488-L492 PolarHBondContact O-N 3.4Å; P489-L492 PolarHBondContact O-N 2.76Å; L492-I495 PolarHBondContact O-N 3.34Å; L492-R496 HydrophobicContact CD1-CG 4.48Å; L492-R496 WeakPolarHBondContact O-CB 3.25Å; L492-R496 VanDerWaalsContact O-CG 3.29Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 3.29Å |
| 493 | Q | 65.9 | Low | 62 | Low | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 174.8 | -81.9 | 177.6 | 1 | 0 | 0 | 111.2 | P489 R490 D491 I495 R496 H497 | P489-Q493 WeakPolarHBondContact O-CB 3.44Å; P489-Q493 WeakPolarHBondContact O-CG 3.19Å; P489-Q493 PolarHBondContact O-N 3.45Å; R490-Q493 WeakPolarHBondContact O-CB 3.38Å; R490-Q493 PolarHBondContact O-N 3.25Å; D491-Q493 VanDerWaalsContact C-N 3.33Å; Q493-I495 VanDerWaalsContact C-N 3.34Å; Q493-I495 PolarHBondContact O-N 2.98Å; Q493-R496 PolarHBondContact O-N 2.83Å; Q493-R496 VanDerWaalsContact O-N 3.15Å; Q493-H497 WeakPolarHBondContact O-CB 3.35Å; Q493-H497 PolarHBondContact O-CD2 2.97Å; Q493-H497 PolarHBondContact O-N 2.54Å |
| 494 | L | 66.6 | Low | 61 | Low | 115 Ų | 115 | 101.1 Ų | 101.1 | 60% | 0.602 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.1 | -46.7 | 175.8 | -79.6 | 160.1 | 0 | 0 | 0 | 111.6 | R490 D491 R496 D498 | R490-L494 WeakPolarHBondContact O-CB 3.26Å; R490-L494 VanDerWaalsContact O-CG 3.32Å; R490-L494 WeakPolarHBondContact O-CG 3.3Å; R490-L494 PolarHBondContact O-N 3.19Å; D491-L494 PolarHBondContact O-N 3.1Å; L494-R496 PolarHBondContact O-N 3.4Å; L494-D498 PolarHBondContact O-N 2.6Å; L494-D498 VanDerWaalsContact O-N 3.11Å |
| 495 | I | 61.4 | Low | 59.8 | Low | 46 Ų | 46 | 106.8 Ų | 106.8 | 24% | 0.236 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.1 | -66.9 | 170.1 | 0 | 0 | 0 | 110.4 | K472 L476 F485 D491 L492 Q493 | K472-I495 HydrophobicContact CD-CG2 4.35Å; K472-I495 WeakPolarHBondContact CE-O 3.13Å; K472-I495 HydrophobicContact CG-CG2 3.93Å; K472-I495 PolarHBondContact NZ-O 3.27Å; L476-I495 HydrophobicContact CD2-CG2 3.97Å; L476-I495 HydrophobicContact CG-CG2 4.2Å; F485-I495 HydrophobicContact CE1-CD1 3.45Å; F485-I495 VanDerWaalsContact CE1-CD1 3.45Å; F485-I495 HydrophobicContact CZ-CD1 3.37Å; D491-I495 WeakPolarHBondContact O-CG1 3.35Å; D491-I495 PolarHBondContact O-N 3.37Å; L492-I495 PolarHBondContact O-N 3.34Å; Q493-I495 VanDerWaalsContact C-N 3.34Å; Q493-I495 PolarHBondContact O-N 2.98Å |
| 496 | R | 62.8 | Low | 58.6 | Low | 169 Ų | 169 | 108.2 Ų | 108.2 | 64% | 0.638 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.8 | -37 | -179.6 | -73.9 | 179.5 | 178.5 | -175.7 | 0.9 | 113.7 | L476 L492 Q493 L494 | L476-R496 HydrophobicContact CD2-CG 4.36Å; L492-R496 HydrophobicContact CD1-CG 4.48Å; L492-R496 WeakPolarHBondContact O-CB 3.25Å; L492-R496 VanDerWaalsContact O-CG 3.29Å; L492-R496 WeakPolarHBondContact O-CG 3.48Å; L492-R496 PolarHBondContact O-N 3.29Å; Q493-R496 PolarHBondContact O-N 2.83Å; Q493-R496 VanDerWaalsContact O-N 3.15Å; L494-R496 PolarHBondContact O-N 3.4Å |
| 497 | H | 49.5 | Very low | 57.7 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 68% | 0.681 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -85.5 | -11.8 | -175 | -73.5 | -67.9 | 0 | 0 | 0 | 114.2 | Q493 K499 | Q493-H497 WeakPolarHBondContact O-CB 3.35Å; Q493-H497 PolarHBondContact O-CD2 2.97Å; Q493-H497 PolarHBondContact O-N 2.54Å; H497-K499 PolarHBondContact O-N 3.46Å; H497-K499 VanDerWaalsContact O-N 3.12Å |
| 498 | D | 48.6 | Very low | 56.6 | Low | 108 Ų | 108 | 106.3 Ų | 106.3 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -50.9 | 124 | 162.6 | -97.9 | -14.7 | 0 | 0 | 0 | 108.7 | K472 L494 | K472-D498 PolarHBondContact NZ-O 3.34Å; L494-D498 PolarHBondContact O-N 2.6Å; L494-D498 VanDerWaalsContact O-N 3.11Å |
| 499 | K | 49.3 | Very low | 55.6 | Low | 168 Ų | 168 | 104.9 Ų | 104.9 | 73% | 0.73 | 52% | 0.517 | S | S | * | . | trans | -39.8 | 133.2 | -174.7 | -73.3 | 178.3 | 179.7 | 175.5 | 0 | 109.6 | H497 I501 | H497-K499 PolarHBondContact O-N 3.46Å; H497-K499 VanDerWaalsContact O-N 3.12Å; K499-I501 PolarHBondContact O-N 3.12Å | ||
| 500 | P | 41.4 | Very low | 54.6 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 77% | 0.773 | 50% | 0.495 | S | S | * | . | trans | -53.2 | 114.1 | 171.8 | 23 | -31.8 | 0 | 0 | 0 | 106.6 | Q502 | P500-Q502 VanDerWaalsContact C-N 3.3Å; P500-Q502 PolarHBondContact O-N 3.12Å | ||
| 501 | I | 43.5 | Very low | 53.9 | Low | 57 Ų | 57 | 98.8 Ų | 98.8 | 29% | 0.292 | 49% | 0.488 | S | S | . | . | trans | -59.5 | 104.4 | 174.9 | -63.1 | 171.5 | 0 | 0 | 0 | 103.4 | E465 K469 K499 A503 | E465-I501 HydrophobicContact CB-CG2 3.82Å; E465-I501 HydrophobicContact CG-CG2 4.18Å; K469-I501 HydrophobicContact CB-CD1 4.15Å; K499-I501 PolarHBondContact O-N 3.12Å; I501-A503 PolarHBondContact O-N 3.43Å | ||
| 502 | Q | 39.2 | Very low | 53.3 | Low | 175 Ų | 175 | 100.1 Ų | 100.1 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | trans | -53.5 | 112.4 | -178.1 | -84.6 | -179.6 | -19.8 | 0 | 0 | 106.1 | P500 R504 | P500-Q502 VanDerWaalsContact C-N 3.3Å; P500-Q502 PolarHBondContact O-N 3.12Å; Q502-R504 VanDerWaalsContact C-N 3.27Å; Q502-R504 PolarHBondContact O-N 2.77Å | ||
| 503 | A | 41.4 | Very low | 52.8 | Low | 74 Ų | 74 | 99.3 Ų | 99.3 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | trans | -57.6 | 104.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 104.3 | I501 K505 | I501-A503 PolarHBondContact O-N 3.43Å; A503-K505 PolarHBondContact O-N 2.77Å | ||
| 504 | R | 48.8 | Very low | 52.2 | Low | 129 Ų | 129 | 94.6 Ų | 94.6 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | trans | -47.8 | 117.6 | 174.3 | -120.7 | 179.5 | -174.1 | -177.6 | 1.1 | 104.7 | S457 Q502 G506 | S457-R504 PolarHBondContact O-NH1 3.29Å; Q502-R504 VanDerWaalsContact C-N 3.27Å; Q502-R504 PolarHBondContact O-N 2.77Å; R504-G506 VanDerWaalsContact C-N 3.33Å; R504-G506 PolarHBondContact O-N 3.09Å | ||
| 505 | K | 44 | Very low | 51.4 | Low | 198 Ų | 198 | 94.4 Ų | 94.4 | 86% | 0.861 | 47% | 0.467 | S | S | * | . | trans | -50.8 | 109.7 | 171.3 | -76.7 | -176 | 177.2 | -178.8 | 0 | 103.9 | A503 L507 | A503-K505 PolarHBondContact O-N 2.77Å; K505-L507 PolarHBondContact O-N 2.73Å | ||
| 506 | G | 48.8 | Very low | 51 | Low | 46 Ų | 46 | 95.6 Ų | 95.6 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | trans | -49.5 | 137.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 107 | R504 Q508 | R504-G506 VanDerWaalsContact C-N 3.33Å; R504-G506 PolarHBondContact O-N 3.09Å; G506-Q508 WeakPolarHBondContact O-CG 3.28Å; G506-Q508 PolarHBondContact O-N 2.98Å | ||
| 507 | L | 55.2 | Low | 50.4 | Low | 29 Ų | 29 | 88.3 Ų | 88.3 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | trans | -62.6 | 84.7 | 178.1 | -65.3 | 168.3 | 0 | 0 | 0 | 106.8 | F277 K505 H509 L510 Y707 | F277-L507 HydrophobicContact CD1-CB 4.08Å; F277-L507 HydrophobicContact CD1-CD1 4.22Å; F277-L507 HydrophobicContact CD1-CG 4.37Å; F277-L507 HydrophobicContact CE1-CB 4.14Å; F277-L507 HydrophobicContact CE1-CD1 3.78Å; F277-L507 HydrophobicContact CE1-CG 3.94Å; K505-L507 PolarHBondContact O-N 2.73Å; L507-H509 PolarHBondContact O-N 3.15Å; L507-H509 VanDerWaalsContact O-N 3.16Å; L507-L510 HydrophobicContact CB-CB 4.3Å; L507-L510 HydrophobicContact CB-CD1 3.77Å; L507-L510 HydrophobicContact CB-CG 3.83Å; L507-L510 HydrophobicContact CD1-CD1 3.54Å; L507-L510 HydrophobicContact CD1-CG 4.36Å; L507-L510 HydrophobicContact CG-CD1 4.3Å; L507-L510 WeakPolarHBondContact O-CB 3.41Å; L507-L510 PolarHBondContact O-N 2.76Å; L507-Y707 HydrophobicContact CD1-CD1 4.25Å; L507-Y707 HydrophobicContact CD2-CD1 4.47Å | ||
| 508 | Q | 52.3 | Low | 50.2 | Low | 163 Ų | 163 | 82.1 Ų | 82.1 | 76% | 0.762 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -61.9 | -31.3 | -167.5 | -66.1 | -169.8 | 8.1 | 0 | 0 | 110.8 | G506 L510 K511 | G506-Q508 WeakPolarHBondContact O-CG 3.28Å; G506-Q508 PolarHBondContact O-N 2.98Å; Q508-L510 PolarHBondContact O-N 3.43Å; Q508-K511 WeakPolarHBondContact O-CB 3.2Å; Q508-K511 PolarHBondContact O-N 2.77Å |
| 509 | H | 57 | Low | 50 | Low | 18 Ų | 18 | 78 Ų | 78 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | G | 310 helix | trans | -62.2 | -19 | 173.1 | 68.3 | -92.9 | 0 | 0 | 0 | 113.6 | R450 L507 T661 L663 Y707 P724 | R450-H509 PolarHBondContact NH2-O 3.46Å; L507-H509 PolarHBondContact O-N 3.15Å; L507-H509 VanDerWaalsContact O-N 3.16Å; H509-T661 WeakPolarHBondContact CD2-CG2 3.41Å; H509-L663 HydrophobicContact CB-CD1 4.33Å; H509-Y707 AromaticContact CE1-CD1 3.92Å; H509-Y707 AromaticContact NE2-CD1 3.48Å; H509-Y707 WeakPolarHBondContact NE2-CD1 3.48Å; H509-Y707 AromaticContact NE2-CE1 3.62Å; H509-P724 VanDerWaalsContact ND1-CG 3.29Å; H509-P724 WeakPolarHBondContact ND1-CG 3.48Å |
| 510 | L | 56.4 | Low | 49.5 | Very low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -80 | -18 | 173 | -66.7 | -176.8 | 0 | 0 | 0 | 113.2 | F277 R450 A454 L507 Q508 Y707 | F277-L510 HydrophobicContact CB-CB 4.46Å; F277-L510 HydrophobicContact CB-CD1 4.37Å; F277-L510 HydrophobicContact CD1-CD1 4.01Å; F277-L510 HydrophobicContact CG-CD1 4.33Å; F277-L510 CarbonylContact O-C 3.55Å; R450-L510 HydrophobicContact CG-CD2 3.87Å; R450-L510 VanDerWaalsContact NH2-CA 3.33Å; R450-L510 PolarHBondContact NH2-O 2.65Å; A454-L510 HydrophobicContact CB-CD1 4.29Å; L507-L510 HydrophobicContact CB-CB 4.3Å; L507-L510 HydrophobicContact CB-CD1 3.77Å; L507-L510 HydrophobicContact CB-CG 3.83Å; L507-L510 HydrophobicContact CD1-CD1 3.54Å; L507-L510 HydrophobicContact CD1-CG 4.36Å; L507-L510 HydrophobicContact CG-CD1 4.3Å; L507-L510 WeakPolarHBondContact O-CB 3.41Å; L507-L510 PolarHBondContact O-N 2.76Å; Q508-L510 PolarHBondContact O-N 3.43Å; L510-Y707 HydrophobicContact CD2-CE1 4.37Å |
| 511 | K | 59.6 | Low | 49.4 | Very low | 131 Ų | 131 | 77.1 Ų | 77.1 | 57% | 0.57 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -41.9 | -175.3 | -172 | -177.6 | 176.7 | -174.6 | 0 | 112.4 | K250 F277 Q508 | K250-K511 PolarHBondContact NZ-O 3.42Å; F277-K511 WeakPolarHBondContact O-CA 3.43Å; F277-K511 PolarHBondContact O-N 2.65Å; Q508-K511 WeakPolarHBondContact O-CB 3.2Å; Q508-K511 PolarHBondContact O-N 2.77Å |
| 512 | H | 58.3 | Low | 49.1 | Very low | 68 Ų | 68 | 74.6 Ų | 74.6 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | trans | -84.8 | 125.1 | -179.6 | 175.4 | 80.8 | 0 | 0 | 0 | 110.2 | R450 P514 D686 | R450-H512 PolarHBondContact NH1-O 3.28Å; R450-H512 PolarHBondContact NH2-O 3.32Å; H512-P514 WeakPolarHBondContact NE2-CA 3.37Å; H512-P514 WeakPolarHBondContact O-CD 3.5Å; H512-D686 IonicContact CD2-OD1 2.74Å; H512-D686 IonicContact CE1-OD1 3.37Å; H512-D686 PolarHBondContact CE1-OD1 3.41Å; H512-D686 VanDerWaalsContact CE1-OD1 3.26Å; H512-D686 IonicContact CG-OD1 3.96Å; H512-D686 IonicContact CG-OD2 3.41Å; H512-D686 IonicContact ND1-OD1 3.12Å; H512-D686 IonicContact NE2-OD1 2.73Å; H512-D686 PolarHBondContact NE2-OD1 2.94Å | ||
| 513 | V | 59 | Low | 49.1 | Very low | 19 Ų | 19 | 70.6 Ų | 70.6 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | trans | -105.1 | 106.4 | 173.2 | -169.5 | 0 | 0 | 0 | 0 | 108.8 | F447 R450 I517 I519 | F447-V513 HydrophobicContact CD2-CG1 4.1Å; F447-V513 HydrophobicContact CD2-CG2 4.37Å; F447-V513 HydrophobicContact CE2-CG1 4.31Å; F447-V513 HydrophobicContact CE2-CG2 3.75Å; R450-V513 VanDerWaalsContact NH1-CA 3.27Å; V513-I517 HydrophobicContact CG1-CB 3.87Å; V513-I517 HydrophobicContact CG1-CG2 3.91Å; V513-I519 HydrophobicContact CB-CD1 3.79Å; V513-I519 HydrophobicContact CG1-CD1 3.46Å; V513-I519 VanDerWaalsContact CG1-CD1 3.46Å; V513-I519 HydrophobicContact CG1-CG1 3.9Å; V513-I519 HydrophobicContact CG2-CD1 3.93Å | ||
| 514 | P | 53.4 | Low | 48.7 | Very low | 6 Ų | 6 | 74.1 Ų | 74.1 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | trans | -55.1 | 144.4 | 175.6 | -24.5 | 30.9 | 0 | 0 | 0 | 111.5 | H512 Y516 I517 | H512-P514 WeakPolarHBondContact NE2-CA 3.37Å; H512-P514 WeakPolarHBondContact O-CD 3.5Å; P514-Y516 HydrophobicContact CB-CD1 3.8Å; P514-Y516 HydrophobicContact CB-CD2 4.4Å; P514-Y516 HydrophobicContact CB-CE1 3.35Å; P514-Y516 HydrophobicContact CB-CE2 3.99Å; P514-Y516 HydrophobicContact CB-CG 4.31Å; P514-Y516 VanDerWaalsContact CB-CZ 3.46Å; P514-Y516 HydrophobicContact CG-CE1 4.24Å; P514-Y516 HydrophobicContact CG-CE2 4.48Å; P514-Y516 PolarHBondContact O-N 3.33Å; P514-Y516 VanDerWaalsContact O-N 3.11Å; P514-I517 HydrophobicContact CB-CD1 4.43Å; P514-I517 HydrophobicContact CB-CG1 4.23Å; P514-I517 HydrophobicContact CG-CD1 4.02Å; P514-I517 HydrophobicContact CG-CG1 4.37Å; P514-I517 WeakPolarHBondContact O-CB 3.31Å; P514-I517 PolarHBondContact O-N 3.24Å | ||
| 515 | D | 50.1 | Low | 48.1 | Very low | 111 Ų | 111 | 70.7 Ų | 70.7 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -55.4 | -33.5 | -173.3 | -68 | -9.8 | 0 | 0 | 0 | 113.1 | I517 L520 | D515-I517 PolarHBondContact O-N 2.96Å; D515-L520 HydrophobicContact CB-CD1 3.46Å; D515-L520 VanDerWaalsContact CB-CD1 3.46Å; D515-L520 WeakPolarHBondContact OD1-CD1 3.21Å |
| 516 | Y | 52.7 | Low | 47.6 | Very low | 71 Ų | 71 | 62.8 Ų | 62.8 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -76.7 | -12.3 | 178.8 | 59.2 | -101.2 | 0 | 0 | 0 | 114.8 | P514 G518 L641 D685 | P514-Y516 HydrophobicContact CB-CD1 3.8Å; P514-Y516 HydrophobicContact CB-CD2 4.4Å; P514-Y516 HydrophobicContact CB-CE1 3.35Å; P514-Y516 HydrophobicContact CB-CE2 3.99Å; P514-Y516 HydrophobicContact CB-CG 4.31Å; P514-Y516 VanDerWaalsContact CB-CZ 3.46Å; P514-Y516 HydrophobicContact CG-CE1 4.24Å; P514-Y516 HydrophobicContact CG-CE2 4.48Å; P514-Y516 PolarHBondContact O-N 3.33Å; P514-Y516 VanDerWaalsContact O-N 3.11Å; Y516-G518 PolarHBondContact O-N 3.38Å; Y516-L641 HydrophobicContact CD2-CB 4.39Å; Y516-L641 HydrophobicContact CD2-CD2 4.31Å; Y516-D685 WeakPolarHBondContact CE1-OD2 3.32Å; Y516-D685 PolarHBondContact OH-OD2 3.02Å |
| 517 | I | 49.8 | Very low | 46.9 | Very low | 16 Ų | 16 | 64.8 Ų | 64.8 | 8% | 0.082 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -72.6 | 10.4 | 174.9 | -61 | -168 | 0 | 0 | 0 | 111.7 | F447 V513 P514 D515 | F447-I517 HydrophobicContact CB-CG2 4.49Å; V513-I517 HydrophobicContact CG1-CB 3.87Å; V513-I517 HydrophobicContact CG1-CG2 3.91Å; P514-I517 HydrophobicContact CB-CD1 4.43Å; P514-I517 HydrophobicContact CB-CG1 4.23Å; P514-I517 HydrophobicContact CG-CD1 4.02Å; P514-I517 HydrophobicContact CG-CG1 4.37Å; P514-I517 WeakPolarHBondContact O-CB 3.31Å; P514-I517 PolarHBondContact O-N 3.24Å; D515-I517 PolarHBondContact O-N 2.96Å |
| 518 | G | 46.4 | Very low | 45.7 | Very low | 17 Ų | 17 | 67.7 Ų | 67.7 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | -10.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y516 L520 R521 L522 | Y516-G518 PolarHBondContact O-N 3.38Å; G518-L520 VanDerWaalsContact C-N 3.29Å; G518-L520 PolarHBondContact O-N 2.77Å; G518-R521 PolarHBondContact O-N 2.97Å; G518-L522 VanDerWaalsContact O-CG 3.29Å; G518-L522 WeakPolarHBondContact O-CG 3.48Å; G518-L522 PolarHBondContact O-N 3.12Å; G518-L522 VanDerWaalsContact O-N 3.14Å |
| 519 | I | 42.9 | Very low | 44.6 | Very low | 22 Ų | 22 | 66.3 Ų | 66.3 | 11% | 0.113 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.5 | -32.2 | -179 | -63.5 | -166.6 | 0 | 0 | 0 | 111.8 | K250 L251 F447 V513 L522 M523 | K250-I519 HydrophobicContact CB-CD1 4.05Å; L251-I519 HydrophobicContact CD2-CB 4.3Å; L251-I519 HydrophobicContact CD2-CG2 3.36Å; L251-I519 WeakPolarHBondContact CD2-O 3.5Å; L251-I519 HydrophobicContact CG-CG2 4.06Å; F447-I519 HydrophobicContact CD2-CD1 3.83Å; F447-I519 HydrophobicContact CD2-CG1 4.33Å; F447-I519 HydrophobicContact CE2-CD1 3.83Å; F447-I519 HydrophobicContact CG-CD1 4.29Å; F447-I519 HydrophobicContact CG-CG1 4.47Å; F447-I519 HydrophobicContact CZ-CD1 4.26Å; V513-I519 HydrophobicContact CB-CD1 3.79Å; V513-I519 HydrophobicContact CG1-CD1 3.46Å; V513-I519 VanDerWaalsContact CG1-CD1 3.46Å; V513-I519 HydrophobicContact CG1-CG1 3.9Å; V513-I519 HydrophobicContact CG2-CD1 3.93Å; I519-L522 WeakPolarHBondContact O-CB 3.31Å; I519-M523 PolarHBondContact O-N 3.26Å |
| 520 | L | 38.8 | Very low | 43.2 | Very low | 76 Ų | 76 | 71.3 Ų | 71.3 | 40% | 0.398 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -85.6 | -30.3 | 177.5 | -87.9 | 157.4 | 0 | 0 | 0 | 114.6 | D515 G518 L522 M523 H524 | D515-L520 HydrophobicContact CB-CD1 3.46Å; D515-L520 VanDerWaalsContact CB-CD1 3.46Å; D515-L520 WeakPolarHBondContact OD1-CD1 3.21Å; G518-L520 VanDerWaalsContact C-N 3.29Å; G518-L520 PolarHBondContact O-N 2.77Å; L520-L522 PolarHBondContact O-N 3.31Å; L520-M523 HydrophobicContact CD2-CB 4.4Å; L520-M523 HydrophobicContact CD2-CG 4.21Å; L520-M523 HydrophobicContact CD2-SD 3.85Å; L520-M523 PolarHBondContact O-N 3.34Å; L520-H524 PolarHBondContact O-N 3.15Å |
| 521 | R | 39.2 | Very low | 41.8 | Very low | 192 Ų | 192 | 81.2 Ų | 81.2 | 73% | 0.725 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -59.3 | -34.2 | 167.7 | -89.3 | -171.3 | 178.4 | -175.6 | 0.8 | 110.9 | G518 H524 C525 | G518-R521 PolarHBondContact O-N 2.97Å; R521-H524 PolarHBondContact O-N 2.94Å; R521-C525 PolarHBondContact O-N 3.1Å; R521-C525 PolarHBondContact O-SG 2.77Å; R521-C525 VanDerWaalsContact O-SG 3.37Å |
| 522 | L | 37.1 | Very low | 40.3 | Very low | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 173.2 | -74.3 | 169.3 | 0 | 0 | 0 | 113.4 | L251 E443 L444 G518 I519 L520 H524 C525 F526 | L251-L522 HydrophobicContact CD1-CB 4.21Å; L251-L522 HydrophobicContact CD1-CD1 4.11Å; L251-L522 HydrophobicContact CD2-CB 3.93Å; E443-L522 HydrophobicContact CB-CD2 3.48Å; E443-L522 VanDerWaalsContact CB-CD2 3.48Å; E443-L522 HydrophobicContact CB-CG 4.42Å; E443-L522 HydrophobicContact CG-CD2 4.3Å; E443-L522 WeakPolarHBondContact OE2-CD2 3.48Å; L444-L522 HydrophobicContact CD2-CD1 3.53Å; L444-L522 HydrophobicContact CG-CD1 4.33Å; G518-L522 VanDerWaalsContact O-CG 3.29Å; G518-L522 WeakPolarHBondContact O-CG 3.48Å; G518-L522 PolarHBondContact O-N 3.12Å; G518-L522 VanDerWaalsContact O-N 3.14Å; I519-L522 WeakPolarHBondContact O-CB 3.31Å; L520-L522 PolarHBondContact O-N 3.31Å; L522-H524 VanDerWaalsContact C-N 3.25Å; L522-H524 PolarHBondContact O-N 3.38Å; L522-C525 PolarHBondContact O-N 2.92Å; L522-F526 HydrophobicContact CB-CD2 4.12Å; L522-F526 HydrophobicContact CB-CE2 4.48Å; L522-F526 HydrophobicContact CD2-CD2 3.92Å; L522-F526 HydrophobicContact CD2-CE2 3.68Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.14Å; L522-F526 WeakPolarHBondContact O-CD2 3.32Å; L522-F526 PolarHBondContact O-N 3.39Å |
| 523 | M | 38.8 | Very low | 38.7 | Very low | 92 Ų | 92 | 85.6 Ų | 85.6 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 173.3 | -70.6 | -157.2 | 76.4 | 0 | 0 | 111.4 | L251 I519 L520 I527 | L251-M523 HydrophobicContact CD2-CG 4.24Å; I519-M523 PolarHBondContact O-N 3.26Å; L520-M523 HydrophobicContact CD2-CB 4.4Å; L520-M523 HydrophobicContact CD2-CG 4.21Å; L520-M523 HydrophobicContact CD2-SD 3.85Å; L520-M523 PolarHBondContact O-N 3.34Å; M523-I527 WeakPolarHBondContact O-CB 3.47Å; M523-I527 WeakPolarHBondContact O-CD1 3.3Å; M523-I527 WeakPolarHBondContact O-CG1 3.47Å; M523-I527 PolarHBondContact O-N 3.29Å |
| 524 | H | 35 | Very low | 37.2 | Very low | 148 Ų | 148 | 89.1 Ų | 89.1 | 69% | 0.685 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -71.7 | -44 | 174.8 | -108.5 | -124 | 0 | 0 | 0 | 112.7 | L520 R521 L522 V528 | L520-H524 PolarHBondContact O-N 3.15Å; R521-H524 PolarHBondContact O-N 2.94Å; L522-H524 VanDerWaalsContact C-N 3.25Å; L522-H524 PolarHBondContact O-N 3.38Å; H524-V528 VanDerWaalsContact O-CG2 3.3Å; H524-V528 WeakPolarHBondContact O-CG2 3.41Å; H524-V528 PolarHBondContact O-N 2.83Å |
| 525 | C | 35.1 | Very low | 35.9 | Very low | 56 Ų | 56 | 94.9 Ų | 94.9 | 38% | 0.378 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | -178.2 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | R521 L522 V528 H529 | R521-C525 PolarHBondContact O-N 3.1Å; R521-C525 PolarHBondContact O-SG 2.77Å; R521-C525 VanDerWaalsContact O-SG 3.37Å; L522-C525 PolarHBondContact O-N 2.92Å; C525-V528 PolarHBondContact O-N 2.96Å; C525-H529 PolarHBondContact O-N 3.44Å; C525-H529 VanDerWaalsContact O-N 3.12Å |
| 526 | F | 32.7 | Very low | 34.7 | Very low | 33 Ų | 33 | 94 Ų | 94 | 15% | 0.145 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.9 | -32.1 | 177.1 | -87.6 | -77.5 | 0 | 0 | 0 | 112.8 | L251 Y437 L522 V528 H529 L530 | L251-F526 HydrophobicContact CD1-CE2 4.42Å; Y437-F526 HydrophobicContact CE1-CE1 4.34Å; Y437-F526 VanDerWaalsContact OH-CE1 3.27Å; Y437-F526 WeakPolarHBondContact OH-CE1 3.06Å; L522-F526 HydrophobicContact CB-CD2 4.12Å; L522-F526 HydrophobicContact CB-CE2 4.48Å; L522-F526 HydrophobicContact CD2-CD2 3.92Å; L522-F526 HydrophobicContact CD2-CE2 3.68Å; L522-F526 VanDerWaalsContact O-CB 3.3Å; L522-F526 WeakPolarHBondContact O-CB 3.14Å; L522-F526 WeakPolarHBondContact O-CD2 3.32Å; L522-F526 PolarHBondContact O-N 3.39Å; F526-V528 VanDerWaalsContact C-N 3.3Å; F526-H529 PolarHBondContact O-N 3.22Å; F526-L530 PolarHBondContact O-N 3.33Å; F526-L530 VanDerWaalsContact O-N 3.13Å |
| 527 | I | 34.9 | Very low | 33.7 | Very low | 87 Ų | 87 | 102.6 Ų | 102.6 | 45% | 0.446 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -35.2 | 173.1 | -71.4 | 169.9 | 0 | 0 | 0 | 110.8 | M523 R531 | M523-I527 WeakPolarHBondContact O-CB 3.47Å; M523-I527 WeakPolarHBondContact O-CD1 3.3Å; M523-I527 WeakPolarHBondContact O-CG1 3.47Å; M523-I527 PolarHBondContact O-N 3.29Å; I527-R531 PolarHBondContact O-N 2.96Å |
| 528 | V | 30.7 | Very low | 32.8 | Very low | 90 Ų | 90 | 106.8 Ų | 106.8 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -70 | -41.3 | 177.8 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | H524 C525 F526 L530 R531 | H524-V528 VanDerWaalsContact O-CG2 3.3Å; H524-V528 WeakPolarHBondContact O-CG2 3.41Å; H524-V528 PolarHBondContact O-N 2.83Å; C525-V528 PolarHBondContact O-N 2.96Å; F526-V528 VanDerWaalsContact C-N 3.3Å; V528-L530 PolarHBondContact O-N 3.47Å; V528-R531 PolarHBondContact O-N 3.49Å |
| 529 | H | 29.1 | Very low | 32 | Very low | 135 Ų | 135 | 112.6 Ų | 112.6 | 63% | 0.625 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.2 | -25.7 | 178.2 | -94 | 62.7 | 0 | 0 | 0 | 114.3 | C525 F526 | C525-H529 PolarHBondContact O-N 3.44Å; C525-H529 VanDerWaalsContact O-N 3.12Å; F526-H529 PolarHBondContact O-N 3.22Å |
| 530 | L | 27.1 | Very low | 31.2 | Very low | 122 Ų | 122 | 123.8 Ų | 123.8 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.6 | -22.2 | 174.2 | -82.2 | 162.8 | 0 | 0 | 0 | 113.5 | F526 V528 | F526-L530 PolarHBondContact O-N 3.33Å; F526-L530 VanDerWaalsContact O-N 3.13Å; V528-L530 PolarHBondContact O-N 3.47Å |
| 531 | R | 26.5 | Very low | 30.5 | Very low | 209 Ų | 209 | 123.3 Ų | 123.3 | 79% | 0.789 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -11.8 | -179.6 | -79.5 | -172.6 | 178.6 | 179.6 | 1.8 | 114.8 | I527 V528 | I527-R531 PolarHBondContact O-N 2.96Å; V528-R531 PolarHBondContact O-N 3.49Å |
| 532 | I | 27.8 | Very low | 30 | Very low | 127 Ų | 127 | 120 Ų | 120 | 65% | 0.651 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -18.5 | 176.3 | -62.9 | 178.1 | 0 | 0 | 0 | 111.8 | S534 | I532-S534 PolarHBondContact O-N 3.33Š|
| 533 | F | 26.4 | Very low | 29.4 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.724 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -98.6 | 84.1 | 178.9 | -72.3 | -80.8 | 0 | 0 | 0 | 112.2 | ||
| 534 | S | 26.4 | Very low | 28.8 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | 35 | 100.1 | 142.8 | 55 | 0 | 0 | 0 | 0 | 117.3 | I532 | I532-S534 PolarHBondContact O-N 3.33Š| ||
| 535 | V | 26.3 | Very low | 28.3 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -56.3 | 125.3 | 147.7 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | R537 | V535-R537 PolarHBondContact O-N 3.13Š| ||
| 536 | P | 25.4 | Very low | 27.7 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 60% | 0.597 | 70% | 0.698 | S | S | * | * | trans | -57.3 | 133.1 | -179.6 | -22 | 31.2 | 0 | 0 | 0 | 110.7 | S538 | P536-S538 PolarHBondContact O-N 3.13Š| ||
| 537 | R | 31.4 | Very low | 27.3 | Very low | 252 Ų | 252 | 142.6 Ų | 142.6 | 95% | 0.951 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -61.2 | 1.7 | -178.4 | -83.1 | -177.8 | 171.8 | 171.9 | -2.4 | 115 | V535 L539 | V535-R537 PolarHBondContact O-N 3.13Å; R537-L539 PolarHBondContact O-N 2.95Å |
| 538 | S | 31.4 | Very low | 26.6 | Very low | 104 Ų | 104 | 147.8 Ų | 147.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -87.6 | 6.1 | -173.5 | 64.9 | 0 | 0 | 0 | 0 | 116.1 | P536 | P536-S538 PolarHBondContact O-N 3.13Š|
| 539 | L | 28.8 | Very low | 26.5 | Very low | 139 Ų | 139 | 148.3 Ų | 148.3 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -110 | 18 | -178.8 | -82.7 | 151.5 | 0 | 0 | 0 | 115.2 | R537 G541 | R537-L539 PolarHBondContact O-N 2.95Å; L539-G541 VanDerWaalsContact C-N 3.29Å; L539-G541 PolarHBondContact O-N 3.23Å |
| 540 | R | 26.2 | Very low | 26.3 | Very low | 256 Ų | 256 | 151.1 Ų | 151.1 | 97% | 0.966 | 78% | 0.78 | S | S | * | * | trans | -84.6 | 76.1 | 159.5 | -77.5 | -168.4 | -165.3 | -166.8 | 4.3 | 109.4 | ||||
| 541 | G | 25 | Very low | 26 | Very low | 67 Ų | 67 | 155 Ų | 155 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | -154.7 | 26 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L539 | L539-G541 VanDerWaalsContact C-N 3.29Å; L539-G541 PolarHBondContact O-N 3.23Å | ||
| 542 | T | 26.9 | Very low | 26 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -131.2 | 100.6 | 170.7 | 39.6 | 0 | 0 | 0 | 0 | 109.4 | L544 | T542-L544 PolarHBondContact O-N 3.08Š| ||
| 543 | K | 24.5 | Very low | 25.6 | Very low | 207 Ų | 207 | 154.8 Ų | 154.8 | 90% | 0.9 | 81% | 0.81 | S | S | * | * | trans | -54.5 | 101.4 | 165.5 | -80.8 | 174.6 | 172.3 | 175.2 | 0 | 108 | I545 | K543-I545 PolarHBondContact O-N 2.64Š| ||
| 544 | L | 26.7 | Very low | 25.5 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 112.8 | 167.5 | -112.2 | 130.4 | 0 | 0 | 0 | 107.6 | T542 S546 | T542-L544 PolarHBondContact O-N 3.08Å; L544-S546 PolarHBondContact O-N 2.93Å | ||
| 545 | I | 25 | Very low | 25.2 | Very low | 150 Ų | 150 | 153.4 Ų | 153.4 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -60 | 121.5 | -176.5 | -66.7 | 161.3 | 0 | 0 | 0 | 109.1 | K543 M547 | K543-I545 PolarHBondContact O-N 2.64Å; I545-M547 PolarHBondContact O-N 3.35Å; I545-M547 VanDerWaalsContact O-N 3.08Å | ||
| 546 | S | 22.7 | Very low | 25.1 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 71% | 0.713 | 82% | 0.823 | S | S | * | * | trans | -65.4 | 97.3 | 174.5 | 166 | 0 | 0 | 0 | 0 | 110.2 | L544 K548 | L544-S546 PolarHBondContact O-N 2.93Å; S546-K548 PolarHBondContact O-N 2.94Å | ||
| 547 | M | 24.5 | Very low | 24.9 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -77.6 | 100.4 | 164.6 | -75.7 | -170.4 | 150.4 | 0 | 0 | 109.2 | I545 A549 | I545-M547 PolarHBondContact O-N 3.35Å; I545-M547 VanDerWaalsContact O-N 3.08Å; M547-A549 PolarHBondContact O-N 3.23Å | ||
| 548 | K | 20.6 | Very low | 24.6 | Very low | 196 Ų | 196 | 152.1 Ų | 152.1 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | trans | -63.2 | 121 | 160.7 | -77.9 | 176.7 | 171.5 | 178.9 | 0 | 107.8 | S546 | S546-K548 PolarHBondContact O-N 2.94Š| ||
| 549 | A | 27.1 | Very low | 24.1 | Very low | 101 Ų | 101 | 151.1 Ų | 151.1 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | -109.4 | 127.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108 | M547 | M547-A549 PolarHBondContact O-N 3.23Š| ||
| 550 | E | 24.9 | Very low | 23.9 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | trans | -71.6 | 156 | -164.9 | -68.4 | 172.4 | 140.7 | 0 | 0 | 114.5 | G552 | E550-G552 PolarHBondContact O-N 2.96Š| ||
| 551 | Q | 20.8 | Very low | 24 | Very low | 203 Ų | 203 | 142 Ų | 142 | 95% | 0.949 | 83% | 0.825 | S | S | * | * | trans | -70.3 | 115 | 172.3 | -68.4 | 171.9 | -25.9 | 0 | 0 | 110.5 | ||||
| 552 | G | 26.6 | Very low | 24.2 | Very low | 78 Ų | 78 | 145.1 Ų | 145.1 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | -116.8 | 103.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111 | E550 | E550-G552 PolarHBondContact O-N 2.96Š| ||
| 553 | R | 19.4 | Very low | 24.4 | Very low | 254 Ų | 254 | 149 Ų | 149 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | trans | -64.4 | 139.9 | 165.4 | -109.8 | 172.9 | 171.9 | 165.9 | -2.7 | 110.3 | ||||
| 554 | A | 24 | Very low | 24.6 | Very low | 86 Ų | 86 | 149.9 Ų | 149.9 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | 152.3 | 116.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 555 | T | 21.5 | Very low | 25.2 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | trans | 38.9 | 125.9 | 133.9 | 60.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 556 | G | 24.3 | Very low | 25.8 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 163.9 | 112.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 557 | E | 21 | Very low | 26.8 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 170 | -176.4 | -61.6 | 173 | 136.8 | 0 | 0 | 116 | ||||
| 558 | K | 24.3 | Very low | 27.7 | Very low | 189 Ų | 189 | 144.6 Ų | 144.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 108.5 | 111.8 | 152.6 | -62 | -172.6 | 178.9 | 178.4 | 0 | 115.9 | ||||
| 559 | G | 20.6 | Very low | 28.6 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 140.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 560 | S | 25.5 | Very low | 29.2 | Very low | 115 Ų | 115 | 143 Ų | 143 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -166.2 | 124 | 154 | 48.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 561 | A | 28.2 | Very low | 29.6 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | 47.3 | 139.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 121 | K563 | A561-K563 PolarHBondContact O-N 3.21Å; A561-K563 VanDerWaalsContact O-N 3.13Å | ||
| 562 | P | 28.2 | Very low | 30.3 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 117 | -174.9 | 27.2 | -32.7 | 0 | 0 | 0 | 111.5 | R564 | P562-R564 PolarHBondContact O-N 3.27Š|
| 563 | K | 31.1 | Very low | 30.5 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 118.8 | 173.2 | -78.2 | 179.2 | 176.5 | 174.7 | 0 | 109.9 | A561 L565 | A561-K563 PolarHBondContact O-N 3.21Å; A561-K563 VanDerWaalsContact O-N 3.13Å; K563-L565 PolarHBondContact O-N 3.46Å |
| 564 | R | 29.3 | Very low | 31 | Very low | 227 Ų | 227 | 130.2 Ų | 130.2 | 86% | 0.857 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.7 | 168.9 | -79.1 | 178.1 | 171.3 | -173.9 | -1.9 | 109.7 | P562 | P562-R564 PolarHBondContact O-N 3.27Š|
| 565 | L | 38.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 60% | 0.597 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 136.8 | 171.6 | -74.4 | 151 | 0 | 0 | 0 | 111.1 | K563 Q569 | K563-L565 PolarHBondContact O-N 3.46Å; L565-Q569 HydrophobicContact CB-CB 4.46Å; L565-Q569 HydrophobicContact CD2-CB 4.23Å |
| 566 | S | 39.5 | Very low | 31.4 | Very low | 62 Ų | 62 | 133.4 Ų | 133.4 | 43% | 0.434 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 158.2 | -174.5 | 92.6 | 0 | 0 | 0 | 0 | 112 | H568 Q569 R570 | S566-H568 PolarHBondContact O-N 2.82Å; S566-Q569 PolarHBondContact O-N 3.38Å; S566-R570 PolarHBondContact O-N 3.42Å |
| 567 | Y | 42.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 134.6 Ų | 134.6 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -50.5 | -34.2 | -177.8 | 178.6 | -101.3 | 0 | 0 | 0 | 113.7 | K571 | Y567-K571 PolarHBondContact O-N 2.81Å |
| 568 | H | 43.2 | Very low | 32 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 67% | 0.667 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -74 | -32.7 | 179.1 | -66.5 | -59.6 | 0 | 0 | 0 | 113.4 | S566 K571 A572 | S566-H568 PolarHBondContact O-N 2.82Å; H568-K571 PolarHBondContact O-N 3.27Å; H568-A572 PolarHBondContact O-N 3.18Å |
| 569 | Q | 40.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 50% | 0.495 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -71.7 | -35.2 | 178.2 | -71.3 | 170.3 | -38.8 | 0 | 0 | 111.8 | L565 S566 K571 A572 | L565-Q569 HydrophobicContact CB-CB 4.46Å; L565-Q569 HydrophobicContact CD2-CB 4.23Å; S566-Q569 PolarHBondContact O-N 3.38Å; Q569-K571 VanDerWaalsContact C-N 3.3Å; Q569-K571 PolarHBondContact O-N 3.01Å; Q569-A572 PolarHBondContact O-N 3.39Å |
| 570 | R | 39.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 60% | 0.596 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -64 | -35.3 | 172.6 | -66.8 | -173.2 | -169.2 | -152.8 | -1.6 | 112.4 | S566 | S566-R570 PolarHBondContact O-N 3.42Å |
| 571 | K | 34.2 | Very low | 33.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.8 | -28.8 | -177.6 | -150.9 | 175.3 | -175.2 | 177.3 | 0 | 112.8 | Y567 H568 Q569 | Y567-K571 PolarHBondContact O-N 2.81Å; H568-K571 PolarHBondContact O-N 3.27Å; Q569-K571 VanDerWaalsContact C-N 3.3Å; Q569-K571 PolarHBondContact O-N 3.01Å |
| 572 | A | 35.9 | Very low | 33.8 | Very low | 68 Ų | 68 | 140.7 Ų | 140.7 | 56% | 0.562 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -73 | -35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | H568 Q569 W575 | H568-A572 PolarHBondContact O-N 3.18Å; Q569-A572 PolarHBondContact O-N 3.39Å; A572-W575 PolarHBondContact O-N 2.85Å |
| 573 | M | 28.8 | Very low | 33.8 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 79% | 0.788 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -70.8 | -29.8 | 177.6 | -100 | 178.8 | 84.6 | 0 | 0 | 113.4 | W575 A576 | M573-W575 PolarHBondContact O-N 3.22Å; M573-A576 PolarHBondContact O-N 3.48Å |
| 574 | V | 31.3 | Very low | 33.6 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 64% | 0.642 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -15 | 177.5 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 575 | W | 26.4 | Very low | 33.6 | Very low | 216 Ų | 216 | 128.4 Ų | 128.4 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -4.9 | 178.2 | -88.8 | 16.6 | 0 | 0 | 0 | 114.9 | A572 M573 | A572-W575 PolarHBondContact O-N 2.85Å; M573-W575 PolarHBondContact O-N 3.22Å |
| 576 | A | 27.2 | Very low | 33.1 | Very low | 80 Ų | 80 | 127.8 Ų | 127.8 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -92.4 | -8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | M573 | M573-A576 PolarHBondContact O-N 3.48Š|
| 577 | S | 29.3 | Very low | 32.5 | Very low | 104 Ų | 104 | 129.6 Ų | 129.6 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -104.8 | 9.3 | -175.6 | 62.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 578 | E | 29.4 | Very low | 31.8 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | trans | -105.1 | 41.3 | 176.1 | -70.1 | -169.8 | 168.5 | 0 | 0 | 112.8 | ||||
| 579 | F | 29.2 | Very low | 31.1 | Very low | 172 Ų | 172 | 123.6 Ų | 123.6 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | trans | -115.9 | 112.2 | 170.9 | -92.9 | -98.1 | 0 | 0 | 0 | 111.6 | ||||
| 580 | F | 33.9 | Very low | 30.4 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 82% | 0.82 | 69% | 0.691 | S | S | * | * | trans | 91 | 151.9 | 147.2 | -87.8 | -108.7 | 0 | 0 | 0 | 121.9 | ||||
| 581 | P | 42 | Very low | 29.6 | Very low | 88 Ų | 88 | 128 Ų | 128 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | trans | -128.2 | 175.3 | -135.8 | 45.3 | -31.8 | 0 | 0 | 0 | 116.7 | A583 | P581-A583 PolarHBondContact O-N 3.28Å; P581-A583 VanDerWaalsContact O-N 3.15Å | ||
| 582 | L | 31.1 | Very low | 29.3 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | 61.4 | 18.5 | 140.8 | -80.6 | 161.9 | 0 | 0 | 0 | 121.8 | ||||
| 583 | A | 28.1 | Very low | 28.7 | Very low | 82 Ų | 82 | 134.7 Ų | 134.7 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | trans | -97.4 | -5.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | P581 | P581-A583 PolarHBondContact O-N 3.28Å; P581-A583 VanDerWaalsContact O-N 3.15Å | ||
| 584 | V | 26.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -99.1 | -3.9 | -169.2 | -173.2 | 0 | 0 | 0 | 0 | 114.6 | S586 V588 | V584-S586 VanDerWaalsContact C-N 3.3Å; V584-S586 PolarHBondContact O-N 3.01Å; V584-V588 HydrophobicContact CG1-CG2 4.48Å |
| 585 | V | 29.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 70% | 0.703 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -73.5 | -17.4 | -177.7 | -178 | 0 | 0 | 0 | 0 | 113.4 | ||
| 586 | S | 27.8 | Very low | 28.2 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -83.1 | -26.5 | 178.8 | 86.9 | 0 | 0 | 0 | 0 | 114.5 | V584 | V584-S586 VanDerWaalsContact C-N 3.3Å; V584-S586 PolarHBondContact O-N 3.01Å |
| 587 | T | 26.8 | Very low | 27.9 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 61% | 0.613 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -84.5 | -22.4 | -174.2 | -36.4 | 0 | 0 | 0 | 0 | 113 | ||
| 588 | V | 27.1 | Very low | 27.7 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 52% | 0.515 | 76% | 0.755 | S | S | . | * | H | α-helix | trans | -83.8 | -20.1 | -177.8 | -175.2 | 0 | 0 | 0 | 0 | 112.6 | V584 F590 F591 | V584-V588 HydrophobicContact CG1-CG2 4.48Å; V588-F590 PolarHBondContact O-N 3.18Å; V588-F591 PolarHBondContact O-N 3.12Å |
| 589 | S | 28.4 | Very low | 27.5 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -17 | 173.6 | -87.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 590 | F | 25.3 | Very low | 27.3 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 81% | 0.811 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -13.2 | 179.4 | -156.4 | -99.6 | 0 | 0 | 0 | 113.9 | V588 | V588-F590 PolarHBondContact O-N 3.18Š|
| 591 | F | 24.1 | Very low | 27 | Very low | 171 Ų | 171 | 130.8 Ų | 130.8 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -106.7 | -1.1 | -173.3 | -106.4 | -84.3 | 0 | 0 | 0 | 116 | V588 | V588-F591 PolarHBondContact O-N 3.12Š|
| 592 | L | 26.6 | Very low | 26.2 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 75% | 0.747 | S | S | * | * | trans | -108.6 | 25.3 | -178.8 | -71.8 | 175.3 | 0 | 0 | 0 | 114.8 | ||||
| 593 | E | 23.1 | Very low | 26.3 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -101.5 | 28.9 | 170.1 | -146.1 | 175.5 | -163.5 | 0 | 0 | 113.3 | K595 | E593-K595 PolarHBondContact O-N 3.42Å; E593-K595 VanDerWaalsContact O-N 3.07Å | ||
| 594 | K | 26.3 | Very low | 26.9 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 72% | 0.715 | S | S | * | * | trans | -79.7 | 92.9 | 167.8 | -89.1 | -166 | 176.8 | -179.9 | 0 | 110.8 | S596 | K594-S596 PolarHBondContact O-N 2.94Š| ||
| 595 | K | 25.1 | Very low | 27.8 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | 12.7 | 102 | 148.5 | -74.2 | -179.4 | 175.6 | 175.4 | 0 | 114.8 | E593 R597 | E593-K595 PolarHBondContact O-N 3.42Å; E593-K595 VanDerWaalsContact O-N 3.07Å; K595-R597 PolarHBondContact O-N 2.84Å | ||
| 596 | S | 24.6 | Very low | 28.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 87% | 0.867 | 72% | 0.723 | S | S | * | * | trans | -52.1 | 99.7 | 158.8 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | K594 | K594-S596 PolarHBondContact O-N 2.94Š| ||
| 597 | R | 21.8 | Very low | 29.8 | Very low | 226 Ų | 226 | 132.5 Ų | 132.5 | 85% | 0.853 | 70% | 0.698 | S | S | * | * | trans | -110.2 | 136.2 | 147.3 | -76.1 | -172.4 | 172.2 | -174.9 | -1.8 | 106.2 | K595 A599 | K595-R597 PolarHBondContact O-N 2.84Å; R597-A599 PolarHBondContact O-N 2.92Å | ||
| 598 | P | 25 | Very low | 31.3 | Very low | 131 Ų | 131 | 136 Ų | 136 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -68.9 | 99.9 | -178.5 | 29.4 | -30.3 | 0 | 0 | 0 | 106.8 | G600 | P598-G600 PolarHBondContact O-N 2.89Å; P598-G600 VanDerWaalsContact O-N 3.08Å | ||
| 599 | A | 25.8 | Very low | 32.9 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | trans | -63 | 110.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | R597 V601 | R597-A599 PolarHBondContact O-N 2.92Å; A599-V601 PolarHBondContact O-N 2.87Å | ||
| 600 | G | 24.3 | Very low | 34.3 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | -53.4 | 111.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107 | P598 I602 | P598-G600 PolarHBondContact O-N 2.89Å; P598-G600 VanDerWaalsContact O-N 3.08Å; G600-I602 PolarHBondContact O-N 2.77Å | ||
| 601 | V | 27.6 | Very low | 35.8 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | trans | -65.3 | 106.4 | -179.9 | 177.5 | 0 | 0 | 0 | 0 | 106.8 | A599 F603 | A599-V601 PolarHBondContact O-N 2.87Å; V601-F603 HydrophobicContact CG1-CE2 4.22Å; V601-F603 HydrophobicContact CG1-CZ 4.41Å; V601-F603 PolarHBondContact O-N 2.86Å; V601-F603 VanDerWaalsContact O-N 3.14Å | ||
| 602 | I | 24.9 | Very low | 37.5 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 84% | 0.836 | 60% | 0.599 | S | S | * | * | trans | -73 | 102.5 | 171.6 | -59.6 | 173 | 0 | 0 | 0 | 106 | G600 S604 | G600-I602 PolarHBondContact O-N 2.77Å; I602-S604 PolarHBondContact O-N 2.78Å | ||
| 603 | F | 33.2 | Very low | 38.9 | Very low | 86 Ų | 86 | 111.2 Ų | 111.2 | 38% | 0.377 | 57% | 0.567 | S | S | . | * | trans | -60 | 133 | 172 | -83.9 | -86.7 | 0 | 0 | 0 | 109.8 | V601 D605 D915 L938 | V601-F603 HydrophobicContact CG1-CE2 4.22Å; V601-F603 HydrophobicContact CG1-CZ 4.41Å; V601-F603 PolarHBondContact O-N 2.86Å; V601-F603 VanDerWaalsContact O-N 3.14Å; F603-D605 PolarHBondContact O-N 2.87Å; F603-D915 WeakPolarHBondContact CZ-O 3.39Å; F603-L938 HydrophobicContact CE1-CD1 4.13Å | ||
| 604 | S | 40.4 | Very low | 40.4 | Very low | 67 Ų | 67 | 102.9 Ų | 102.9 | 47% | 0.469 | 53% | 0.528 | S | S | . | . | trans | -67.7 | 129.6 | 158.9 | 81 | 0 | 0 | 0 | 0 | 107.8 | I602 R606 N607 | I602-S604 PolarHBondContact O-N 2.78Å; S604-R606 PolarHBondContact O-N 2.86Å; S604-N607 PolarHBondContact O-N 3.47Å | ||
| 605 | D | 46 | Very low | 41.6 | Very low | 155 Ų | 155 | 94.1 Ų | 94.1 | 83% | 0.829 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -54.3 | -14 | 178.3 | -84.4 | -34.8 | 0 | 0 | 0 | 113.7 | F603 | F603-D605 PolarHBondContact O-N 2.87Š|
| 606 | R | 44.9 | Very low | 43 | Very low | 183 Ų | 183 | 87.1 Ų | 87.1 | 69% | 0.691 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -70.9 | -28.3 | -178.7 | -63.7 | -174.3 | 179.1 | -169.5 | 1.2 | 113.8 | S604 V628 | S604-R606 PolarHBondContact O-N 2.86Å; R606-V628 WeakPolarHBondContact O-CG1 3.4Å |
| 607 | N | 54.5 | Low | 44.2 | Very low | 35 Ų | 35 | 83.3 Ų | 83.3 | 19% | 0.187 | 43% | 0.429 | C | S | . | . | G | 310 helix | trans | -100.8 | 25.9 | -174.5 | -75.9 | -10 | 0 | 0 | 0 | 113.7 | S604 I609 L938 | S604-N607 PolarHBondContact O-N 3.47Å; N607-I609 PolarHBondContact O-N 3Å; N607-I609 VanDerWaalsContact O-N 3.15Å; N607-L938 HydrophobicContact CB-CD1 4.27Å |
| 608 | R | 59 | Low | 45.7 | Very low | 174 Ų | 174 | 74.4 Ų | 74.4 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | trans | -59.4 | 121.8 | 177.5 | -167.3 | 173.4 | -177.9 | 178.9 | 1.7 | 110.2 | D627 | R608-D627 PolarHBondContact O-N 2.72Š| ||
| 609 | I | 60.7 | Low | 47.3 | Very low | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 126 | 177.3 | -57.9 | 139.4 | 0 | 0 | 0 | 109 | N607 F612 C624 L626 V914 F937 L938 | N607-I609 PolarHBondContact O-N 3Å; N607-I609 VanDerWaalsContact O-N 3.15Å; I609-F612 HydrophobicContact CB-CE2 3.87Å; I609-F612 HydrophobicContact CB-CZ 4.17Å; I609-F612 HydrophobicContact CD1-CE2 4.06Å; I609-F612 HydrophobicContact CD1-CZ 3.61Å; I609-F612 HydrophobicContact CG1-CE2 4.32Å; I609-F612 HydrophobicContact CG1-CZ 4.09Å; I609-F612 HydrophobicContact CG2-CD2 3.68Å; I609-F612 HydrophobicContact CG2-CE1 4.32Å; I609-F612 HydrophobicContact CG2-CE2 3.12Å; I609-F612 HydrophobicContact CG2-CG 4.46Å; I609-F612 HydrophobicContact CG2-CZ 3.56Å; I609-C624 HydrophobicContact CG2-CB 4.33Å; I609-L626 HydrophobicContact CB-CD2 4.07Å; I609-L626 HydrophobicContact CG1-CD2 3.39Å; I609-L626 HydrophobicContact CG2-CD2 4.31Å; I609-V914 HydrophobicContact CB-CG1 4.41Å; I609-V914 WeakPolarHBondContact CD1-O 3.31Å; I609-F937 HydrophobicContact CD1-CZ 3.91Å; I609-L938 HydrophobicContact CD1-CD1 3.63Å; I609-L938 HydrophobicContact CD1-CD2 4.37Å; I609-L938 HydrophobicContact CD1-CG 4.23Å; I609-L938 HydrophobicContact CG1-CD1 4.11Å; I609-L938 HydrophobicContact CG1-CD2 4.33Å |
| 610 | R | 56.6 | Low | 49.3 | Very low | 91 Ų | 91 | 64.9 Ų | 64.9 | 34% | 0.343 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -29.6 | 177 | -77.3 | -129.8 | 166.8 | 64.9 | 24.9 | 113.2 | G625 D627 | R610-G625 PolarHBondContact N-O 3.22Å; R610-D627 VanDerWaalsContact CG-OD1 3.29Å; R610-D627 WeakPolarHBondContact CG-OD1 3.38Å; R610-D627 IonicContact CZ-OD1 2.84Å; R610-D627 IonicContact CZ-OD2 2.85Å; R610-D627 IonicContact NE-OD1 2.75Å; R610-D627 IonicContact NH1-OD1 2.75Å; R610-D627 PolarHBondContact NH1-OD1 3.08Å; R610-D627 IonicContact NH1-OD2 3.09Å; R610-D627 PolarHBondContact NH1-OD2 2.96Å; R610-D627 VanDerWaalsContact NH2-CG 3.34Å; R610-D627 IonicContact NH2-OD1 2.62Å; R610-D627 PolarHBondContact NH2-OD1 2.86Å; R610-D627 VanDerWaalsContact NH2-OD1 3.09Å; R610-D627 IonicContact NH2-OD2 3.34Å; R610-D627 PolarHBondContact NH2-OD2 3.18Å |
| 611 | H | 57.1 | Low | 51.8 | Low | 50 Ų | 50 | 61.7 Ų | 61.7 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 147.4 | -176.8 | 178.4 | -86.3 | 0 | 0 | 0 | 113.1 | C624 G625 K653 L654 C655 | H611-C624 WeakPolarHBondContact O-CA 3.26Å; H611-G625 PolarHBondContact N-O 2.97Å; H611-G625 PolarHBondContact O-N 3.06Å; H611-K653 WeakPolarHBondContact CB-O 2.91Å; H611-L654 WeakPolarHBondContact CD2-CD2 3.34Å; H611-C655 PolarHBondContact CE1-O 2.83Å; H611-C655 VanDerWaalsContact CE1-O 3.29Å; H611-C655 PolarHBondContact ND1-N 2.93Å |
| 612 | F | 59.1 | Low | 54.4 | Low | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.1 | 169.2 | -73.2 | -90.4 | 0 | 0 | 0 | 111.3 | I609 F622 C624 F900 V912 S913 V914 F937 | I609-F612 HydrophobicContact CB-CE2 3.87Å; I609-F612 HydrophobicContact CB-CZ 4.17Å; I609-F612 HydrophobicContact CD1-CE2 4.06Å; I609-F612 HydrophobicContact CD1-CZ 3.61Å; I609-F612 HydrophobicContact CG1-CE2 4.32Å; I609-F612 HydrophobicContact CG1-CZ 4.09Å; I609-F612 HydrophobicContact CG2-CD2 3.68Å; I609-F612 HydrophobicContact CG2-CE1 4.32Å; I609-F612 HydrophobicContact CG2-CE2 3.12Å; I609-F612 HydrophobicContact CG2-CG 4.46Å; I609-F612 HydrophobicContact CG2-CZ 3.56Å; F612-F622 HydrophobicContact CD1-CD2 4.46Å; F612-C624 HydrophobicContact CD1-CB 3.99Å; F612-C624 HydrophobicContact CE1-CB 3.92Å; F612-F900 HydrophobicContact CB-CD2 3.65Å; F612-F900 HydrophobicContact CB-CE2 3.75Å; F612-F900 HydrophobicContact CB-CG 4.39Å; F612-F900 HydrophobicContact CD2-CD2 4.16Å; F612-F900 AromaticContact CD2-CE2 3.99Å; F612-F900 HydrophobicContact CD2-CE2 3.99Å; F612-F900 HydrophobicContact CG-CD2 4.08Å; F612-F900 HydrophobicContact CG-CE2 4.23Å; F612-V912 HydrophobicContact CD1-CG1 3.91Å; F612-V912 HydrophobicContact CE1-CG1 3.45Å; F612-V912 VanDerWaalsContact CE1-CG1 3.45Å; F612-V912 HydrophobicContact CZ-CG1 4.17Å; F612-S913 WeakPolarHBondContact CZ-O 3.48Å; F612-V914 HydrophobicContact CD2-CG2 3.78Å; F612-V914 HydrophobicContact CE2-CB 4.03Å; F612-V914 HydrophobicContact CE2-CG2 3.55Å; F612-F937 AromaticContact CE1-CE1 3.86Å; F612-F937 HydrophobicContact CE1-CE1 3.86Å; F612-F937 HydrophobicContact CE1-CE2 4.08Å; F612-F937 AromaticContact CE1-CZ 3.32Å; F612-F937 HydrophobicContact CE1-CZ 3.32Å; F612-F937 HydrophobicContact CZ-CE1 4Å; F612-F937 HydrophobicContact CZ-CE2 4.48Å; F612-F937 AromaticContact CZ-CZ 3.47Å; F612-F937 HydrophobicContact CZ-CZ 3.47Å; F612-F937 VanDerWaalsContact CZ-CZ 3.47Å |
| 613 | A | 56 | Low | 57.3 | Low | 15 Ų | 15 | 49.7 Ų | 49.7 | 12% | 0.124 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 108 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F622 V623 C655 I656 | A613-F622 WeakPolarHBondContact O-CA 3.44Å; A613-V623 PolarHBondContact N-O 2.83Å; A613-V623 PolarHBondContact O-N 3Å; A613-C655 WeakPolarHBondContact CB-O 3.37Å; A613-I656 HydrophobicContact CB-CB 4.36Å; A613-I656 HydrophobicContact CB-CG1 4.47Å |
| 614 | V | 54.9 | Low | 59.8 | Low | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 131.9 | 161.3 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | E616 A619 F622 R839 F900 | V614-E616 PolarHBondContact O-N 2.79Å; V614-A619 HydrophobicContact CG1-CB 3.94Å; V614-F622 HydrophobicContact CB-CB 4.33Å; V614-F622 HydrophobicContact CG1-CB 4.48Å; V614-F622 HydrophobicContact CG2-CB 4.06Å; V614-R839 PolarHBondContact O-NH2 3.07Å; V614-F900 HydrophobicContact CG2-CB 3.8Å |
| 615 | L | 51.4 | Low | 62 | Low | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.068 | 19% | 0.19 | C | C | . | . | trans | -54.3 | 137.7 | 179 | -73.4 | 176.5 | 0 | 0 | 0 | 110.8 | K617 D620 A621 M657 H659 | L615-K617 VanDerWaalsContact C-N 3.29Å; L615-K617 PolarHBondContact O-N 2.8Å; L615-D620 WeakPolarHBondContact CD1-OD1 3.38Å; L615-A621 VanDerWaalsContact CB-O 3.31Å; L615-A621 WeakPolarHBondContact CB-O 3.25Å; L615-A621 HydrophobicContact CD1-CB 3.54Å; L615-A621 HydrophobicContact CG-CB 4.38Å; L615-A621 VanDerWaalsContact CG-O 3.3Å; L615-A621 WeakPolarHBondContact CG-O 3.44Å; L615-A621 PolarHBondContact N-O 2.73Å; L615-A621 VanDerWaalsContact N-O 3.08Å; L615-M657 HydrophobicContact CD2-CB 4.09Å; L615-M657 WeakPolarHBondContact CD2-O 3.14Å; L615-H659 WeakPolarHBondContact CD1-O 3.35Å; L615-H659 WeakPolarHBondContact CD2-O 3.04Å | ||
| 616 | E | 54.5 | Low | 64 | Low | 47 Ų | 47 | 35.1 Ų | 35.1 | 22% | 0.22 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -75 | -13.6 | -157.7 | -58.5 | -161.4 | 124.9 | 0 | 0 | 115.8 | V614 K704 R839 | V614-E616 PolarHBondContact O-N 2.79Å; E616-K704 WeakPolarHBondContact OE1-CD 3.07Å; E616-K704 WeakPolarHBondContact OE1-CE 3.32Å; E616-K704 IonicContact OE1-NZ 2.8Å; E616-K704 PolarHBondContact OE1-NZ 2.6Å; E616-R839 VanDerWaalsContact CA-NH1 3.33Å; E616-R839 PolarHBondContact O-NH1 3.12Å |
| 617 | K | 51.1 | Low | 65.8 | Low | 44 Ų | 44 | 27 Ų | 27 | 19% | 0.191 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -106.2 | -46.6 | -165.3 | -149.8 | -179.4 | 179.9 | 177.7 | 0 | 112.7 | D453 L615 A747 C797 | D453-K617 IonicContact OD1-NZ 2.56Å; D453-K617 PolarHBondContact OD1-NZ 2.78Å; L615-K617 VanDerWaalsContact C-N 3.29Å; L615-K617 PolarHBondContact O-N 2.8Å; K617-A747 HydrophobicContact CD-CB 4.3Å; K617-C797 WeakPolarHBondContact CG-SG 2.91Å |
| 618 | I | 51.9 | Low | 67.1 | Low | 39 Ų | 39 | 26.9 Ų | 26.9 | 20% | 0.2 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -143.9 | 136.7 | 179 | -59.6 | 179.8 | 0 | 0 | 0 | 103.6 | Y449 D620 | Y449-I618 HydrophobicContact CD1-CD1 3.86Å; Y449-I618 HydrophobicContact CE1-CD1 3.43Å; Y449-I618 VanDerWaalsContact CE1-CD1 3.43Å; Y449-I618 HydrophobicContact CE1-CG2 4.19Å; I618-D620 HydrophobicContact CB-CB 4.4Å; I618-D620 HydrophobicContact CG2-CB 4Å; I618-D620 PolarHBondContact O-N 3.28Å |
| 619 | A | 60.5 | Low | 68.5 | Low | 3 Ų | 3 | 18.7 Ų | 18.7 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 64.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | V614 S635 G902 F903 I910 | V614-A619 HydrophobicContact CG1-CB 3.94Å; A619-S635 WeakPolarHBondContact O-CB 3.33Å; A619-S635 PolarHBondContact O-OG 2.93Å; A619-S635 VanDerWaalsContact O-OG 3.07Å; A619-G902 WeakPolarHBondContact CB-O 3.19Å; A619-F903 PolarHBondContact N-O 3.24Å; A619-I910 HydrophobicContact CB-CB 3.76Å; A619-I910 HydrophobicContact CB-CG1 4.02Å |
| 620 | D | 67.7 | Low | 69.8 | Low | 14 Ų | 14 | 18.1 Ų | 18.1 | 8% | 0.075 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -33.6 | -178.8 | 70.1 | -33.7 | 0 | 0 | 0 | 111.3 | Y449 L615 I618 N634 S635 R660 | Y449-D620 HydrophobicContact CD2-CB 4.21Å; Y449-D620 HydrophobicContact CE2-CB 3.87Å; L615-D620 WeakPolarHBondContact CD1-OD1 3.38Å; I618-D620 HydrophobicContact CB-CB 4.4Å; I618-D620 HydrophobicContact CG2-CB 4Å; I618-D620 PolarHBondContact O-N 3.28Å; D620-N634 PolarHBondContact O-OD1 2.97Å; D620-S635 VanDerWaalsContact O-CB 3.31Å; D620-S635 WeakPolarHBondContact O-CB 2.99Å; D620-S635 PolarHBondContact O-N 2.86Å; D620-S635 PolarHBondContact O-OG 3.33Å; D620-R660 VanDerWaalsContact CB-NH2 3.31Å; D620-R660 VanDerWaalsContact CG-NH2 3.35Å; D620-R660 PolarHBondContact O-NH2 2.77Å; D620-R660 IonicContact OD1-NE 3.75Å; D620-R660 WeakPolarHBondContact OD2-CG 3.34Å; D620-R660 IonicContact OD2-CZ 3.97Å; D620-R660 IonicContact OD2-NE 3.52Å; D620-R660 PolarHBondContact OD2-NE 3.32Å; D620-R660 IonicContact OD2-NH2 2.69Å; D620-R660 PolarHBondContact OD2-NH2 2.71Å; D620-R660 VanDerWaalsContact OD2-NH2 3.12Å |
| 621 | A | 75.4 | Confident | 71.3 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L615 Y633 S635 R660 | L615-A621 VanDerWaalsContact CB-O 3.31Å; L615-A621 WeakPolarHBondContact CB-O 3.25Å; L615-A621 HydrophobicContact CD1-CB 3.54Å; L615-A621 HydrophobicContact CG-CB 4.38Å; L615-A621 VanDerWaalsContact CG-O 3.3Å; L615-A621 WeakPolarHBondContact CG-O 3.44Å; L615-A621 PolarHBondContact N-O 2.73Å; L615-A621 VanDerWaalsContact N-O 3.08Å; A621-Y633 CarbonylContact C-O 3.56Å; A621-Y633 WeakPolarHBondContact CA-O 3.35Å; A621-Y633 WeakPolarHBondContact CB-O 3.12Å; A621-S635 WeakPolarHBondContact CA-OG 3.47Å; A621-S635 PolarHBondContact N-OG 2.84Å; A621-R660 VanDerWaalsContact CB-NH1 3.27Å |
| 622 | F | 83.3 | Confident | 72.6 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.1 | 172.8 | 63.1 | -86.7 | 0 | 0 | 0 | 110.7 | F612 A613 V614 Y633 S635 L638 V912 Y918 F937 | F612-F622 HydrophobicContact CD1-CD2 4.46Å; A613-F622 WeakPolarHBondContact O-CA 3.44Å; V614-F622 HydrophobicContact CB-CB 4.33Å; V614-F622 HydrophobicContact CG1-CB 4.48Å; V614-F622 HydrophobicContact CG2-CB 4.06Å; F622-Y633 AromaticContact CD2-CD2 3.93Å; F622-Y633 HydrophobicContact CD2-CD2 3.93Å; F622-Y633 HydrophobicContact CD2-CG 4.48Å; F622-Y633 HydrophobicContact CE1-CG 4.28Å; F622-Y633 AromaticContact CE2-CD2 3.33Å; F622-Y633 HydrophobicContact CE2-CD2 3.33Å; F622-Y633 HydrophobicContact CE2-CE2 4.09Å; F622-Y633 AromaticContact CE2-CG 3.76Å; F622-Y633 HydrophobicContact CE2-CG 3.76Å; F622-Y633 VanDerWaalsContact CZ-CB 3.43Å; F622-Y633 HydrophobicContact CZ-CD1 4.49Å; F622-Y633 AromaticContact CZ-CD2 3.75Å; F622-Y633 HydrophobicContact CZ-CD2 3.75Å; F622-Y633 AromaticContact CZ-CG 3.65Å; F622-Y633 HydrophobicContact CZ-CG 3.65Å; F622-Y633 PolarHBondContact N-O 2.85Å; F622-Y633 PolarHBondContact O-N 3.14Å; F622-S635 WeakPolarHBondContact CD1-OG 3.31Å; F622-L638 HydrophobicContact CE1-CD1 3.87Å; F622-L638 HydrophobicContact CZ-CD1 3.88Å; F622-V912 HydrophobicContact CD1-CG2 4.02Å; F622-V912 HydrophobicContact CD2-CG1 4.15Å; F622-V912 HydrophobicContact CD2-CG2 4.45Å; F622-V912 HydrophobicContact CE1-CG2 3.99Å; F622-V912 HydrophobicContact CE2-CG1 3.85Å; F622-V912 HydrophobicContact CE2-CG2 4.41Å; F622-V912 HydrophobicContact CG-CG2 4.25Å; F622-V912 HydrophobicContact CZ-CG1 4.2Å; F622-V912 HydrophobicContact CZ-CG2 4.18Å; F622-Y918 HydrophobicContact CE1-CD2 4.36Å; F622-F937 HydrophobicContact CE2-CD1 4.24Å; F622-F937 AromaticContact CE2-CD2 3.74Å; F622-F937 HydrophobicContact CE2-CD2 3.74Å; F622-F937 HydrophobicContact CE2-CE1 4.46Å; F622-F937 AromaticContact CE2-CE2 3.99Å; F622-F937 HydrophobicContact CE2-CE2 3.99Å; F622-F937 AromaticContact CE2-CG 3.9Å; F622-F937 HydrophobicContact CE2-CG 3.9Å; F622-F937 HydrophobicContact CE2-CZ 4.37Å; F622-F937 HydrophobicContact CZ-CB 3.96Å; F622-F937 HydrophobicContact CZ-CD1 4.18Å; F622-F937 HydrophobicContact CZ-CD2 4.01Å; F622-F937 AromaticContact CZ-CG 3.77Å; F622-F937 HydrophobicContact CZ-CG 3.77Å |
| 623 | V | 85.9 | Confident | 73.8 | Confident | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 135.7 | 177.8 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | A613 L630 R631 I632 C655 M657 | A613-V623 PolarHBondContact N-O 2.83Å; A613-V623 PolarHBondContact O-N 3Å; V623-L630 HydrophobicContact CG1-CD1 3.79Å; V623-L630 HydrophobicContact CG1-CD2 3.76Å; V623-L630 HydrophobicContact CG1-CG 3.7Å; V623-R631 WeakPolarHBondContact CA-O 3.29Å; V623-I632 HydrophobicContact CG1-CG1 4.26Å; V623-I632 HydrophobicContact CG2-CG1 4.2Å; V623-I632 HydrophobicContact CG2-CG2 4.28Å; V623-C655 HydrophobicContact CG1-CB 4.03Å; V623-M657 HydrophobicContact CG2-CB 3.58Å; V623-M657 HydrophobicContact CG2-SD 4.35Å |
| 624 | C | 85.7 | Confident | 74.9 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.1 | 172.2 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | I609 H611 F612 L630 R631 | I609-C624 HydrophobicContact CG2-CB 4.33Å; H611-C624 WeakPolarHBondContact O-CA 3.26Å; F612-C624 HydrophobicContact CD1-CB 3.99Å; F612-C624 HydrophobicContact CE1-CB 3.92Å; C624-L630 WeakPolarHBondContact O-CA 3.42Å; C624-R631 PolarHBondContact N-O 3.33Å; C624-R631 PolarHBondContact O-N 2.87Å |
| 625 | G | 86.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R610 H611 V652 C655 | R610-G625 PolarHBondContact N-O 3.22Å; H611-G625 PolarHBondContact N-O 2.97Å; H611-G625 PolarHBondContact O-N 3.06Å; G625-V652 CarbonylContact C-O 3.58Å; G625-C655 PolarHBondContact N-SG 3.35Å |
| 626 | L | 86.4 | Confident | 77.2 | Confident | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 163.7 | -176 | -56.1 | 173.5 | 0 | 0 | 0 | 110.1 | I609 V628 G629 R631 V652 L938 | I609-L626 HydrophobicContact CB-CD2 4.07Å; I609-L626 HydrophobicContact CG1-CD2 3.39Å; I609-L626 HydrophobicContact CG2-CD2 4.31Å; L626-V628 HydrophobicContact CB-CG2 3.93Å; L626-V628 HydrophobicContact CD1-CG2 4.15Å; L626-V628 PolarHBondContact O-N 3.24Å; L626-G629 WeakPolarHBondContact CA-O 3.43Å; L626-G629 PolarHBondContact N-O 2.82Å; L626-G629 PolarHBondContact O-N 3.34Å; L626-R631 HydrophobicContact CD1-CG 3.98Å; L626-V652 PolarHBondContact O-N 2.66Å; L626-L938 HydrophobicContact CD1-CD2 4.33Å; L626-L938 HydrophobicContact CD2-CD2 3.98Å |
| 627 | D | 83.4 | Confident | 78 | Confident | 13 Ų | 13 | 15.9 Ų | 15.9 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.2 | 168.1 | -78.1 | 27.1 | 0 | 0 | 0 | 112.7 | R608 R610 S651 P671 | R608-D627 PolarHBondContact O-N 2.72Å; R610-D627 VanDerWaalsContact CG-OD1 3.29Å; R610-D627 WeakPolarHBondContact CG-OD1 3.38Å; R610-D627 IonicContact CZ-OD1 2.84Å; R610-D627 IonicContact CZ-OD2 2.85Å; R610-D627 IonicContact NE-OD1 2.75Å; R610-D627 IonicContact NH1-OD1 2.75Å; R610-D627 PolarHBondContact NH1-OD1 3.08Å; R610-D627 IonicContact NH1-OD2 3.09Å; R610-D627 PolarHBondContact NH1-OD2 2.96Å; R610-D627 VanDerWaalsContact NH2-CG 3.34Å; R610-D627 IonicContact NH2-OD1 2.62Å; R610-D627 PolarHBondContact NH2-OD1 2.86Å; R610-D627 VanDerWaalsContact NH2-OD1 3.09Å; R610-D627 IonicContact NH2-OD2 3.34Å; R610-D627 PolarHBondContact NH2-OD2 3.18Å; D627-S651 PolarHBondContact O-OG 3.16Å; D627-P671 WeakPolarHBondContact OD2-CG 3.45Å |
| 628 | V | 82.3 | Confident | 79.3 | Confident | 33 Ų | 33 | 14.7 Ų | 14.7 | 20% | 0.2 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 7.4 | -176.2 | -67 | 0 | 0 | 0 | 0 | 113.7 | R606 L626 D645 Q646 | R606-V628 WeakPolarHBondContact O-CG1 3.4Å; L626-V628 HydrophobicContact CB-CG2 3.93Å; L626-V628 HydrophobicContact CD1-CG2 4.15Å; L626-V628 PolarHBondContact O-N 3.24Å; V628-D645 CarbonylContact O-C 3.58Å; V628-Q646 VanDerWaalsContact O-CA 3.24Å; V628-Q646 WeakPolarHBondContact O-CA 3.34Å; V628-Q646 VanDerWaalsContact O-CB 3.3Å; V628-Q646 WeakPolarHBondContact O-CB 3.36Å; V628-Q646 PolarHBondContact O-N 3.3Å |
| 629 | G | 87.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -140.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L626 L644 T649 G650 | L626-G629 WeakPolarHBondContact CA-O 3.43Å; L626-G629 PolarHBondContact N-O 2.82Å; L626-G629 PolarHBondContact O-N 3.34Å; G629-L644 WeakPolarHBondContact CA-O 3.38Å; G629-T649 VanDerWaalsContact CA-OG1 3.23Å; G629-T649 WeakPolarHBondContact CA-OG1 3.3Å; G629-G650 WeakPolarHBondContact CA-O 3.27Å |
| 630 | L | 88.5 | Confident | 81.3 | Confident | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.4 | -179.2 | 179.5 | 149.7 | 0 | 0 | 0 | 110 | V623 C624 I632 S643 L644 V652 C655 V664 L666 | V623-L630 HydrophobicContact CG1-CD1 3.79Å; V623-L630 HydrophobicContact CG1-CD2 3.76Å; V623-L630 HydrophobicContact CG1-CG 3.7Å; C624-L630 WeakPolarHBondContact O-CA 3.42Å; L630-I632 HydrophobicContact CD2-CD1 4.19Å; L630-I632 HydrophobicContact CD2-CG1 3.66Å; L630-S643 CarbonylContact O-C 3.5Å; L630-S643 WeakPolarHBondContact O-CA 3.48Å; L630-L644 HydrophobicContact CB-CB 4.36Å; L630-L644 HydrophobicContact CD2-CD1 4.25Å; L630-L644 HydrophobicContact CD2-CG 4.48Å; L630-L644 PolarHBondContact N-O 3.02Å; L630-L644 PolarHBondContact O-N 3.11Å; L630-V652 HydrophobicContact CB-CG2 4.26Å; L630-V652 HydrophobicContact CD1-CG1 4.43Å; L630-C655 HydrophobicContact CD1-CB 3.54Å; L630-V664 HydrophobicContact CD1-CG1 3.78Å; L630-L666 HydrophobicContact CD1-CB 4.48Å; L630-L666 HydrophobicContact CD1-CD2 4.26Å |
| 631 | R | 87.2 | Confident | 81.6 | Confident | 39 Ų | 39 | 17.8 Ų | 17.8 | 15% | 0.147 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 145 | 171.8 | -62.1 | -176.9 | -175.9 | -173.8 | 5 | 111.1 | V623 C624 L626 Y633 E640 A642 L938 | V623-R631 WeakPolarHBondContact CA-O 3.29Å; C624-R631 PolarHBondContact N-O 3.33Å; C624-R631 PolarHBondContact O-N 2.87Å; L626-R631 HydrophobicContact CD1-CG 3.98Å; R631-Y633 HydrophobicContact CB-CD2 4.41Å; R631-Y633 HydrophobicContact CB-CE2 3.55Å; R631-Y633 WeakPolarHBondContact CD-OH 3.34Å; R631-Y633 PolarHBondContact NH1-OH 3.44Å; R631-E640 IonicContact NE-OE1 3.72Å; R631-E640 IonicContact NH1-OE2 2.81Å; R631-A642 CarbonylContact C-O 3.55Å; R631-A642 WeakPolarHBondContact CA-O 3.47Å; R631-L938 PolarHBondContact NH1-O 3.31Å |
| 632 | I | 86.3 | Confident | 81.8 | Confident | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.036 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.7 | 179.8 | -51.9 | -179.2 | 0 | 0 | 0 | 107.3 | V623 L630 L641 A642 M657 V664 | V623-I632 HydrophobicContact CG1-CG1 4.26Å; V623-I632 HydrophobicContact CG2-CG1 4.2Å; V623-I632 HydrophobicContact CG2-CG2 4.28Å; L630-I632 HydrophobicContact CD2-CD1 4.19Å; L630-I632 HydrophobicContact CD2-CG1 3.66Å; I632-L641 HydrophobicContact CB-CB 4.45Å; I632-L641 HydrophobicContact CG2-CB 4.26Å; I632-L641 HydrophobicContact CG2-CD1 4.19Å; I632-L641 WeakPolarHBondContact O-CB 3.27Å; I632-L641 PolarHBondContact O-N 2.95Å; I632-A642 HydrophobicContact CB-CB 4.4Å; I632-A642 HydrophobicContact CD1-CB 4.25Å; I632-A642 HydrophobicContact CG1-CB 4.48Å; I632-A642 PolarHBondContact N-O 2.81Å; I632-A642 PolarHBondContact O-N 2.98Å; I632-M657 HydrophobicContact CG2-SD 3.89Å; I632-V664 HydrophobicContact CD1-CG2 3.84Å |
| 633 | Y | 83 | Confident | 81.9 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144 | 179.8 | -61 | -89.1 | 0 | 0 | 0 | 110.6 | A621 F622 R631 V639 E640 F937 | A621-Y633 CarbonylContact C-O 3.56Å; A621-Y633 WeakPolarHBondContact CA-O 3.35Å; A621-Y633 WeakPolarHBondContact CB-O 3.12Å; F622-Y633 AromaticContact CD2-CD2 3.93Å; F622-Y633 HydrophobicContact CD2-CD2 3.93Å; F622-Y633 HydrophobicContact CD2-CG 4.48Å; F622-Y633 HydrophobicContact CE1-CG 4.28Å; F622-Y633 AromaticContact CE2-CD2 3.33Å; F622-Y633 HydrophobicContact CE2-CD2 3.33Å; F622-Y633 HydrophobicContact CE2-CE2 4.09Å; F622-Y633 AromaticContact CE2-CG 3.76Å; F622-Y633 HydrophobicContact CE2-CG 3.76Å; F622-Y633 VanDerWaalsContact CZ-CB 3.43Å; F622-Y633 HydrophobicContact CZ-CD1 4.49Å; F622-Y633 AromaticContact CZ-CD2 3.75Å; F622-Y633 HydrophobicContact CZ-CD2 3.75Å; F622-Y633 AromaticContact CZ-CG 3.65Å; F622-Y633 HydrophobicContact CZ-CG 3.65Å; F622-Y633 PolarHBondContact N-O 2.85Å; F622-Y633 PolarHBondContact O-N 3.14Å; R631-Y633 HydrophobicContact CB-CD2 4.41Å; R631-Y633 HydrophobicContact CB-CE2 3.55Å; R631-Y633 WeakPolarHBondContact CD-OH 3.34Å; R631-Y633 PolarHBondContact NH1-OH 3.44Å; Y633-V639 CarbonylContact C-O 3.53Å; Y633-V639 VanDerWaalsContact CA-O 3.28Å; Y633-V639 WeakPolarHBondContact CA-O 3.47Å; Y633-E640 HydrophobicContact CD1-CB 3.9Å; Y633-E640 HydrophobicContact CD1-CG 4.22Å; Y633-E640 HydrophobicContact CE1-CB 3.75Å; Y633-E640 HydrophobicContact CE1-CG 3.86Å; Y633-F937 HydrophobicContact CD1-CB 4.5Å; Y633-F937 HydrophobicContact CD2-CD2 4.01Å; Y633-F937 HydrophobicContact CE1-CB 4.43Å; Y633-F937 HydrophobicContact CE1-CD2 4.11Å; Y633-F937 WeakPolarHBondContact CE1-O 3.48Å; Y633-F937 AromaticContact CE2-CD2 3.51Å; Y633-F937 HydrophobicContact CE2-CD2 3.51Å; Y633-F937 AromaticContact CE2-CE2 3.88Å; Y633-F937 HydrophobicContact CE2-CE2 3.88Å; Y633-F937 HydrophobicContact CG-CD2 4.48Å; Y633-F937 AromaticContact CZ-CD2 3.56Å; Y633-F937 PolarHBondContact OH-O 3.24Å |
| 634 | N | 80.1 | Confident | 81.9 | Confident | 20 Ų | 20 | 22 Ų | 22 | 11% | 0.107 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 133.5 | 154.7 | -165.4 | 61.9 | 0 | 0 | 0 | 107.9 | D620 D636 P637 L638 V639 L641 R660 | D620-N634 PolarHBondContact O-OD1 2.97Å; N634-D636 PolarHBondContact ND2-O 3.31Å; N634-P637 PolarHBondContact ND2-O 2.69Å; N634-L638 VanDerWaalsContact O-CA 3.3Å; N634-L638 WeakPolarHBondContact O-CA 2.94Å; N634-V639 HydrophobicContact CB-CB 4.29Å; N634-V639 PolarHBondContact N-O 2.69Å; N634-V639 PolarHBondContact O-N 3.35Å; N634-V639 VanDerWaalsContact O-N 3.09Å; N634-L641 HydrophobicContact CB-CD1 4.05Å; N634-L641 HydrophobicContact CB-CD2 4.04Å; N634-L641 HydrophobicContact CB-CG 4.04Å; N634-R660 VanDerWaalsContact OD1-CZ 3.32Å; N634-R660 PolarHBondContact OD1-NH1 3.33Å; N634-R660 PolarHBondContact OD1-NH2 3.39Å |
| 635 | S | 80.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | -37.3 | 180 | -58.2 | 0 | 0 | 0 | 0 | 112.7 | A619 D620 A621 F622 Y918 | A619-S635 WeakPolarHBondContact O-CB 3.33Å; A619-S635 PolarHBondContact O-OG 2.93Å; A619-S635 VanDerWaalsContact O-OG 3.07Å; D620-S635 VanDerWaalsContact O-CB 3.31Å; D620-S635 WeakPolarHBondContact O-CB 2.99Å; D620-S635 PolarHBondContact O-N 2.86Å; D620-S635 PolarHBondContact O-OG 3.33Å; A621-S635 WeakPolarHBondContact CA-OG 3.47Å; A621-S635 PolarHBondContact N-OG 2.84Å; F622-S635 WeakPolarHBondContact CD1-OG 3.31Å; S635-Y918 WeakPolarHBondContact O-CE2 2.86Å; S635-Y918 PolarHBondContact O-OH 3.28Å |
| 636 | D | 73.2 | Confident | 81.8 | Confident | 37 Ų | 37 | 30.1 Ų | 30.1 | 20% | 0.198 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.7 | 111.1 | -175.3 | -170.4 | 13 | 0 | 0 | 0 | 110.6 | N634 K920 | N634-D636 PolarHBondContact ND2-O 3.31Å; D636-K920 VanDerWaalsContact CG-NZ 3.25Å; D636-K920 IonicContact OD1-NZ 3.98Å; D636-K920 PolarHBondContact OD1-NZ 2.81Å; D636-K920 WeakPolarHBondContact OD2-CE 3.44Å; D636-K920 IonicContact OD2-NZ 3.26Å; D636-K920 PolarHBondContact OD2-NZ 3.15Å; D636-K920 VanDerWaalsContact OD2-NZ 3.1Å |
| 637 | P | 72 | Confident | 81.7 | Confident | 80 Ų | 80 | 38.3 Ų | 38.3 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -63.8 | 151 | -7.8 | 29.4 | -35.6 | 0 | 0 | 0 | 111.3 | N634 V639 | N634-P637 PolarHBondContact ND2-O 2.69Å; P637-V639 HydrophobicContact CB-CG2 4.45Å; P637-V639 HydrophobicContact CG-CG2 4.23Å; P637-V639 PolarHBondContact O-N 3.13Å; P637-V639 VanDerWaalsContact O-N 3.12Å |
| 638 | L | 79 | Confident | 82 | Confident | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 111.9 | 177.6 | -179.5 | 64 | 0 | 0 | 0 | 110.5 | F622 N634 Y918 D935 F937 V940 | F622-L638 HydrophobicContact CE1-CD1 3.87Å; F622-L638 HydrophobicContact CZ-CD1 3.88Å; N634-L638 VanDerWaalsContact O-CA 3.3Å; N634-L638 WeakPolarHBondContact O-CA 2.94Å; L638-Y918 HydrophobicContact CB-CE1 4.39Å; L638-Y918 HydrophobicContact CB-CE2 4.38Å; L638-Y918 HydrophobicContact CD1-CD2 3.75Å; L638-Y918 HydrophobicContact CD1-CE2 3.99Å; L638-Y918 HydrophobicContact CD1-CG 4.22Å; L638-Y918 HydrophobicContact CD2-CD1 3.89Å; L638-Y918 HydrophobicContact CD2-CD2 4.13Å; L638-Y918 HydrophobicContact CD2-CE1 4.48Å; L638-Y918 HydrophobicContact CD2-CG 3.72Å; L638-Y918 HydrophobicContact CG-CD2 4.39Å; L638-Y918 HydrophobicContact CG-CG 4.44Å; L638-D935 HydrophobicContact CD2-CB 3.77Å; L638-F937 HydrophobicContact CD1-CB 3.8Å; L638-F937 HydrophobicContact CD2-CB 3.86Å; L638-F937 HydrophobicContact CG-CB 4.29Å; L638-V940 HydrophobicContact CD2-CG2 3.83Å; L638-V940 HydrophobicContact CG-CG2 4.12Å |
| 639 | V | 74.3 | Confident | 82.2 | Confident | 45 Ų | 45 | 38.4 Ų | 38.4 | 27% | 0.273 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 135.1 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | Y633 N634 P637 L641 | Y633-V639 CarbonylContact C-O 3.53Å; Y633-V639 VanDerWaalsContact CA-O 3.28Å; Y633-V639 WeakPolarHBondContact CA-O 3.47Å; N634-V639 HydrophobicContact CB-CB 4.29Å; N634-V639 PolarHBondContact N-O 2.69Å; N634-V639 PolarHBondContact O-N 3.35Å; N634-V639 VanDerWaalsContact O-N 3.09Å; P637-V639 HydrophobicContact CB-CG2 4.45Å; P637-V639 HydrophobicContact CG-CG2 4.23Å; P637-V639 PolarHBondContact O-N 3.13Å; P637-V639 VanDerWaalsContact O-N 3.12Å; V639-L641 PolarHBondContact O-N 3.26Å |
| 640 | E | 78.4 | Confident | 82.2 | Confident | 41 Ų | 41 | 38.4 Ų | 38.4 | 19% | 0.192 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.3 | 169.6 | -168.3 | 169.9 | 160.1 | 0 | 0 | 110.8 | R631 Y633 S643 | R631-E640 IonicContact NE-OE1 3.72Å; R631-E640 IonicContact NH1-OE2 2.81Å; Y633-E640 HydrophobicContact CD1-CB 3.9Å; Y633-E640 HydrophobicContact CD1-CG 4.22Å; Y633-E640 HydrophobicContact CE1-CB 3.75Å; Y633-E640 HydrophobicContact CE1-CG 3.86Å; E640-S643 WeakPolarHBondContact OE1-CB 3.46Å |
| 641 | L | 75.6 | Confident | 82.2 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 18% | 0.183 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -42.1 | -178.5 | -65.4 | 177 | 0 | 0 | 0 | 112.3 | Y516 I632 N634 V639 | Y516-L641 HydrophobicContact CD2-CB 4.39Å; Y516-L641 HydrophobicContact CD2-CD2 4.31Å; I632-L641 HydrophobicContact CB-CB 4.45Å; I632-L641 HydrophobicContact CG2-CB 4.26Å; I632-L641 HydrophobicContact CG2-CD1 4.19Å; I632-L641 WeakPolarHBondContact O-CB 3.27Å; I632-L641 PolarHBondContact O-N 2.95Å; N634-L641 HydrophobicContact CB-CD1 4.05Å; N634-L641 HydrophobicContact CB-CD2 4.04Å; N634-L641 HydrophobicContact CB-CG 4.04Å; V639-L641 PolarHBondContact O-N 3.26Å |
| 642 | A | 79.7 | Confident | 82.3 | Confident | 15 Ų | 15 | 36.5 Ų | 36.5 | 12% | 0.124 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 142.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R631 I632 | R631-A642 CarbonylContact C-O 3.55Å; R631-A642 WeakPolarHBondContact CA-O 3.47Å; I632-A642 HydrophobicContact CB-CB 4.4Å; I632-A642 HydrophobicContact CD1-CB 4.25Å; I632-A642 HydrophobicContact CG1-CB 4.48Å; I632-A642 PolarHBondContact N-O 2.81Å; I632-A642 PolarHBondContact O-N 2.98Å |
| 643 | S | 84.5 | Confident | 82.4 | Confident | 59 Ų | 59 | 38.3 Ų | 38.3 | 41% | 0.413 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 142.9 | 165.8 | 54.3 | 0 | 0 | 0 | 0 | 110 | L630 E640 | L630-S643 CarbonylContact O-C 3.5Å; L630-S643 WeakPolarHBondContact O-CA 3.48Å; E640-S643 WeakPolarHBondContact OE1-CB 3.46Å |
| 644 | L | 86.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 116.7 | 162.8 | -58.6 | 176.9 | 0 | 0 | 0 | 107.1 | G629 L630 T649 W683 | G629-L644 WeakPolarHBondContact CA-O 3.38Å; L630-L644 HydrophobicContact CB-CB 4.36Å; L630-L644 HydrophobicContact CD2-CD1 4.25Å; L630-L644 HydrophobicContact CD2-CG 4.48Å; L630-L644 PolarHBondContact N-O 3.02Å; L630-L644 PolarHBondContact O-N 3.11Å; L644-T649 HydrophobicContact CB-CG2 3.69Å; L644-T649 HydrophobicContact CD1-CG2 3.79Å; L644-T649 HydrophobicContact CG-CG2 4.41Å; L644-W683 HydrophobicContact CD1-CD2 3.95Å; L644-W683 HydrophobicContact CD1-CG 3.85Å; L644-W683 HydrophobicContact CD2-CD2 4.42Å; L644-W683 HydrophobicContact CD2-CH2 4.31Å; L644-W683 HydrophobicContact CD2-CZ2 3.51Å |
| 645 | D | 85.3 | Confident | 83.2 | Confident | 104 Ų | 104 | 38.1 Ų | 38.1 | 56% | 0.556 | 21% | 0.207 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 168.2 | -175.6 | -63.3 | -28.1 | 0 | 0 | 0 | 112 | V628 E647 V648 T649 | V628-D645 CarbonylContact O-C 3.58Å; D645-E647 PolarHBondContact O-N 3.48Å; D645-E647 VanDerWaalsContact O-N 3.12Å; D645-V648 WeakPolarHBondContact O-CB 2.97Å; D645-V648 PolarHBondContact O-N 2.88Å; D645-T649 PolarHBondContact O-N 3.4Å; D645-T649 VanDerWaalsContact O-N 3.17Å |
| 646 | Q | 83.6 | Confident | 83.6 | Confident | 68 Ų | 68 | 38.6 Ų | 38.6 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.3 | -31.9 | -177.4 | -161.2 | -165.3 | -59.9 | 0 | 0 | 112.9 | V628 V648 G650 | V628-Q646 VanDerWaalsContact O-CA 3.24Å; V628-Q646 WeakPolarHBondContact O-CA 3.34Å; V628-Q646 VanDerWaalsContact O-CB 3.3Å; V628-Q646 WeakPolarHBondContact O-CB 3.36Å; V628-Q646 PolarHBondContact O-N 3.3Å; Q646-V648 VanDerWaalsContact C-N 3.26Å; Q646-V648 PolarHBondContact O-N 3.32Å; Q646-G650 VanDerWaalsContact O-CA 3.24Å; Q646-G650 WeakPolarHBondContact O-CA 3.38Å; Q646-G650 PolarHBondContact O-N 3.45Å |
| 647 | E | 85 | Confident | 84.1 | Confident | 172 Ų | 172 | 37.2 Ų | 37.2 | 80% | 0.804 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.7 | -32.7 | 177 | -64.3 | -174.4 | 175.1 | 0 | 0 | 112.1 | D645 K674 | D645-E647 PolarHBondContact O-N 3.48Å; D645-E647 VanDerWaalsContact O-N 3.12Å; E647-K674 PolarHBondContact O-NZ 2.96Å |
| 648 | V | 88.7 | Confident | 84.6 | Confident | 48 Ų | 48 | 33.4 Ų | 33.4 | 29% | 0.291 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -80.7 | -56.1 | -178.9 | -177.7 | 0 | 0 | 0 | 0 | 110 | D645 Q646 K674 W683 F690 | D645-V648 WeakPolarHBondContact O-CB 2.97Å; D645-V648 PolarHBondContact O-N 2.88Å; Q646-V648 VanDerWaalsContact C-N 3.26Å; Q646-V648 PolarHBondContact O-N 3.32Å; V648-K674 WeakPolarHBondContact O-CD 3.22Å; V648-K674 PolarHBondContact O-NZ 3.31Å; V648-W683 HydrophobicContact CG1-CE3 4.27Å; V648-W683 HydrophobicContact CG1-CH2 3.79Å; V648-W683 HydrophobicContact CG1-CZ3 3.63Å; V648-F690 HydrophobicContact CG1-CE2 4.21Å; V648-F690 HydrophobicContact CG1-CZ 4.45Å |
| 649 | T | 88 | Confident | 84.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -103.2 | -22 | -169 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | G629 L644 D645 L666 F675 F690 | G629-T649 VanDerWaalsContact CA-OG1 3.23Å; G629-T649 WeakPolarHBondContact CA-OG1 3.3Å; L644-T649 HydrophobicContact CB-CG2 3.69Å; L644-T649 HydrophobicContact CD1-CG2 3.79Å; L644-T649 HydrophobicContact CG-CG2 4.41Å; D645-T649 PolarHBondContact O-N 3.4Å; D645-T649 VanDerWaalsContact O-N 3.17Å; T649-L666 HydrophobicContact CG2-CD2 3.77Å; T649-F675 WeakPolarHBondContact O-CD2 3.08Å; T649-F690 HydrophobicContact CG2-CZ 4.33Å |
| 650 | G | 87.9 | Confident | 84.3 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | 62.2 | -161.4 | -160.5 | 0 | 0 | 0 | 0 | 0 | 112 | G629 Q646 V652 R672 | G629-G650 WeakPolarHBondContact CA-O 3.27Å; Q646-G650 VanDerWaalsContact O-CA 3.24Å; Q646-G650 WeakPolarHBondContact O-CA 3.38Å; Q646-G650 PolarHBondContact O-N 3.45Å; G650-V652 PolarHBondContact O-N 3.17Å; G650-R672 CarbonylContact C-O 3.56Å; G650-R672 WeakPolarHBondContact CA-O 3.4Å | ||
| 651 | S | 87.9 | Confident | 84 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -66.6 | 128.1 | 171.9 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | D627 G668 G669 R672 | D627-S651 PolarHBondContact O-OG 3.16Å; S651-G668 WeakPolarHBondContact O-CA 3.44Å; S651-G669 CarbonylContact C-O 3.58Å; S651-G669 VanDerWaalsContact CB-O 3.27Å; S651-G669 WeakPolarHBondContact CB-O 3.23Å; S651-G669 PolarHBondContact O-N 3.02Å; S651-R672 PolarHBondContact N-O 3.35Å; S651-R672 WeakPolarHBondContact OG-CA 3.18Å; S651-R672 WeakPolarHBondContact OG-CB 3.33Å; S651-R672 PolarHBondContact OG-N 3.3Å; S651-R672 PolarHBondContact OG-O 3.42Å |
| 652 | V | 89.6 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.5 | -177.3 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | G625 L626 L630 G650 L654 C655 L666 | G625-V652 CarbonylContact C-O 3.58Å; L626-V652 PolarHBondContact O-N 2.66Å; L630-V652 HydrophobicContact CB-CG2 4.26Å; L630-V652 HydrophobicContact CD1-CG1 4.43Å; G650-V652 PolarHBondContact O-N 3.17Å; V652-L654 VanDerWaalsContact CG1-O 3.31Å; V652-L654 WeakPolarHBondContact CG1-O 3.27Å; V652-C655 HydrophobicContact CG1-CB 3.9Å; V652-L666 HydrophobicContact CG1-CB 4.12Å |
| 653 | K | 87.4 | Confident | 84.5 | Confident | 45 Ų | 45 | 28.6 Ų | 28.6 | 20% | 0.196 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -41.6 | -179.9 | 178.4 | -173 | -179.5 | -179.5 | 0 | 112.9 | H611 V667 D677 E699 | H611-K653 WeakPolarHBondContact CB-O 2.91Å; K653-V667 PolarHBondContact N-O 2.74Å; K653-D677 HydrophobicContact CD-CB 4.18Å; K653-D677 IonicContact NZ-OD2 3.61Å; K653-D677 PolarHBondContact NZ-OD2 3.07Å; K653-E699 WeakPolarHBondContact CE-OE1 3.46Å; K653-E699 VanDerWaalsContact NZ-CD 3.27Å; K653-E699 VanDerWaalsContact NZ-CG 3.33Å; K653-E699 IonicContact NZ-OE1 2.58Å; K653-E699 PolarHBondContact NZ-OE1 3.44Å |
| 654 | L | 90.4 | Very high | 84.8 | Confident | 14 Ų | 14 | 25.8 Ų | 25.8 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.6 | 173.1 | -56.3 | 172.8 | 0 | 0 | 0 | 108.1 | H611 V652 L666 V667 V700 L703 | H611-L654 WeakPolarHBondContact CD2-CD2 3.34Å; V652-L654 VanDerWaalsContact CG1-O 3.31Å; V652-L654 WeakPolarHBondContact CG1-O 3.27Å; L654-L666 CarbonylContact O-C 3.37Å; L654-L666 WeakPolarHBondContact O-CA 3.29Å; L654-V667 HydrophobicContact CB-CB 3.99Å; L654-V667 HydrophobicContact CB-CG2 4.26Å; L654-V667 HydrophobicContact CD1-CB 4.38Å; L654-V667 HydrophobicContact CD1-CG2 4.28Å; L654-V667 HydrophobicContact CG-CB 4.39Å; L654-V667 PolarHBondContact N-O 3.13Å; L654-V667 PolarHBondContact O-N 3.14Å; L654-V700 HydrophobicContact CD1-CG1 3.97Å; L654-V700 VanDerWaalsContact CD1-O 3.31Å; L654-V700 WeakPolarHBondContact CD1-O 3.36Å; L654-L703 HydrophobicContact CB-CD1 4.48Å |
| 655 | C | 89.8 | Confident | 85 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.8 | 171.9 | 54.3 | 0 | 0 | 0 | 0 | 110.2 | H611 A613 V623 G625 L630 V652 A665 L666 | H611-C655 PolarHBondContact CE1-O 2.83Å; H611-C655 VanDerWaalsContact CE1-O 3.29Å; H611-C655 PolarHBondContact ND1-N 2.93Å; A613-C655 WeakPolarHBondContact CB-O 3.37Å; V623-C655 HydrophobicContact CG1-CB 4.03Å; G625-C655 PolarHBondContact N-SG 3.35Å; L630-C655 HydrophobicContact CD1-CB 3.54Å; V652-C655 HydrophobicContact CG1-CB 3.9Å; C655-A665 CarbonylContact C-O 3.49Å; C655-A665 VanDerWaalsContact CA-O 3.27Å; C655-A665 WeakPolarHBondContact CA-O 3.29Å; C655-L666 HydrophobicContact CB-CB 4.37Å |
| 656 | I | 88.5 | Confident | 85.4 | Confident | 10 Ų | 10 | 20.2 Ų | 20.2 | 5% | 0.051 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 135.4 | 172.2 | -174.1 | 168.7 | 0 | 0 | 0 | 108.7 | A613 V664 A665 L703 M705 | A613-I656 HydrophobicContact CB-CB 4.36Å; A613-I656 HydrophobicContact CB-CG1 4.47Å; I656-V664 CarbonylContact O-C 3.44Å; I656-V664 WeakPolarHBondContact O-CA 3.47Å; I656-A665 HydrophobicContact CG2-CB 3.9Å; I656-A665 PolarHBondContact N-O 3.34Å; I656-A665 PolarHBondContact O-N 3.14Å; I656-L703 HydrophobicContact CG2-CB 3.72Å; I656-L703 HydrophobicContact CG2-CD1 4.21Å; I656-M705 HydrophobicContact CG2-CG 3.91Å; I656-M705 HydrophobicContact CG2-SD 3.75Å |
| 657 | M | 84.6 | Confident | 85.9 | Confident | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.034 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.8 | 172 | 178.2 | -173.1 | -172.6 | 0 | 0 | 109 | L615 V623 I632 H659 T661 V664 | L615-M657 HydrophobicContact CD2-CB 4.09Å; L615-M657 WeakPolarHBondContact CD2-O 3.14Å; V623-M657 HydrophobicContact CG2-CB 3.58Å; V623-M657 HydrophobicContact CG2-SD 4.35Å; I632-M657 HydrophobicContact CG2-SD 3.89Å; M657-H659 VanDerWaalsContact CG-O 3.27Å; M657-H659 WeakPolarHBondContact CG-O 3.48Å; M657-H659 PolarHBondContact O-N 3.23Å; M657-H659 VanDerWaalsContact SD-O 3.38Å; M657-T661 WeakPolarHBondContact CE-O 2.93Å; M657-V664 HydrophobicContact CB-CG2 4.24Å; M657-V664 HydrophobicContact CG-CG2 4.23Å |
| 658 | L | 82.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.045 | C | C | . | . | trans | -70.4 | 98.1 | 170.5 | 172.4 | 69.1 | 0 | 0 | 0 | 108.1 | R660 T661 L663 M705 S706 F723 | L658-R660 PolarHBondContact O-N 3.22Å; L658-T661 WeakPolarHBondContact CB-OG1 3.33Å; L658-T661 HydrophobicContact CD2-CG2 4.16Å; L658-T661 HydrophobicContact CG-CG2 4.16Å; L658-T661 VanDerWaalsContact O-CB 3.27Å; L658-T661 WeakPolarHBondContact O-CB 3.23Å; L658-T661 WeakPolarHBondContact O-CG2 3.41Å; L658-T661 PolarHBondContact O-N 3.46Å; L658-T661 PolarHBondContact O-OG1 3.32Å; L658-L663 HydrophobicContact CB-CB 4.36Å; L658-L663 HydrophobicContact CD2-CD1 4.33Å; L658-L663 PolarHBondContact N-O 2.77Å; L658-M705 HydrophobicContact CB-CE 3.82Å; L658-M705 HydrophobicContact CB-SD 4.24Å; L658-M705 HydrophobicContact CD1-CB 4.07Å; L658-S706 VanDerWaalsContact CD1-O 3.22Å; L658-S706 WeakPolarHBondContact CD1-O 3.31Å; L658-F723 HydrophobicContact CD2-CD1 4.26Å; L658-F723 HydrophobicContact CD2-CE1 3.79Å | ||
| 659 | H | 75.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 6.7 Ų | 6.7 | 7% | 0.069 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | -132.4 | 178.6 | -61.2 | -69.4 | 0 | 0 | 0 | 111.8 | L615 M657 Y707 | L615-H659 WeakPolarHBondContact CD1-O 3.35Å; L615-H659 WeakPolarHBondContact CD2-O 3.04Å; M657-H659 VanDerWaalsContact CG-O 3.27Å; M657-H659 WeakPolarHBondContact CG-O 3.48Å; M657-H659 PolarHBondContact O-N 3.23Å; M657-H659 VanDerWaalsContact SD-O 3.38Å; H659-Y707 HydrophobicContact CB-CE1 4.43Å; H659-Y707 WeakPolarHBondContact CB-OH 3.19Å; H659-Y707 AromaticContact CD2-CD2 3.62Å; H659-Y707 AromaticContact CD2-CE1 3.78Å; H659-Y707 AromaticContact CD2-CE2 3.25Å; H659-Y707 WeakPolarHBondContact CD2-CE2 3.45Å; H659-Y707 AromaticContact CD2-CZ 3.33Å; H659-Y707 AromaticContact CG-CE2 3.85Å; H659-Y707 AromaticContact CG-CZ 3.7Å; H659-Y707 AromaticContact NE2-CD2 3.58Å; H659-Y707 AromaticContact NE2-CE2 3.44Å; H659-Y707 WeakPolarHBondContact NE2-CE2 3.04Å |
| 660 | R | 70.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 8.2 Ų | 8.2 | 7% | 0.068 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | 59.7 | 171.8 | -70.9 | -69.6 | -165.9 | 147.9 | 19.4 | 111.7 | D620 A621 N634 L658 | D620-R660 VanDerWaalsContact CB-NH2 3.31Å; D620-R660 VanDerWaalsContact CG-NH2 3.35Å; D620-R660 PolarHBondContact O-NH2 2.77Å; D620-R660 IonicContact OD1-NE 3.75Å; D620-R660 WeakPolarHBondContact OD2-CG 3.34Å; D620-R660 IonicContact OD2-CZ 3.97Å; D620-R660 IonicContact OD2-NE 3.52Å; D620-R660 PolarHBondContact OD2-NE 3.32Å; D620-R660 IonicContact OD2-NH2 2.69Å; D620-R660 PolarHBondContact OD2-NH2 2.71Å; D620-R660 VanDerWaalsContact OD2-NH2 3.12Å; A621-R660 VanDerWaalsContact CB-NH1 3.27Å; N634-R660 VanDerWaalsContact OD1-CZ 3.32Å; N634-R660 PolarHBondContact OD1-NH1 3.33Å; N634-R660 PolarHBondContact OD1-NH2 3.39Å; L658-R660 PolarHBondContact O-N 3.22Å |
| 661 | T | 72.9 | Confident | 85.3 | Confident | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -122.5 | 164.1 | 178.6 | 76.6 | 0 | 0 | 0 | 0 | 111.2 | H509 M657 L658 L663 | H509-T661 WeakPolarHBondContact CD2-CG2 3.41Å; M657-T661 WeakPolarHBondContact CE-O 2.93Å; L658-T661 WeakPolarHBondContact CB-OG1 3.33Å; L658-T661 HydrophobicContact CD2-CG2 4.16Å; L658-T661 HydrophobicContact CG-CG2 4.16Å; L658-T661 VanDerWaalsContact O-CB 3.27Å; L658-T661 WeakPolarHBondContact O-CB 3.23Å; L658-T661 WeakPolarHBondContact O-CG2 3.41Å; L658-T661 PolarHBondContact O-N 3.46Å; L658-T661 PolarHBondContact O-OG1 3.32Å; T661-L663 PolarHBondContact O-N 2.86Å; T661-L663 VanDerWaalsContact O-N 3.14Å; T661-L663 PolarHBondContact OG1-N 2.87Å |
| 662 | N | 77.9 | Confident | 85.2 | Confident | 8 Ų | 8 | 17.2 Ų | 17.2 | 4% | 0.043 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -68.6 | -0.9 | 175.2 | 56.8 | -57.6 | 0 | 0 | 0 | 113.9 | D684 D685 D686 | N662-D684 VanDerWaalsContact ND2-CG 3.35Å; N662-D684 PolarHBondContact ND2-OD1 2.64Å; N662-D685 HydrophobicContact CB-CB 4.05Å; N662-D685 WeakPolarHBondContact O-CB 3.37Å; N662-D685 PolarHBondContact O-N 3.5Å; N662-D686 HydrophobicContact CB-CB 4.24Å |
| 663 | L | 86.7 | Confident | 84.8 | Confident | 13 Ų | 13 | 21.3 Ų | 21.3 | 7% | 0.068 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122 | -174.1 | -59.8 | 175.3 | 0 | 0 | 0 | 110.8 | H509 L658 T661 W683 D684 F723 P724 | H509-L663 HydrophobicContact CB-CD1 4.33Å; L658-L663 HydrophobicContact CB-CB 4.36Å; L658-L663 HydrophobicContact CD2-CD1 4.33Å; L658-L663 PolarHBondContact N-O 2.77Å; T661-L663 PolarHBondContact O-N 2.86Å; T661-L663 VanDerWaalsContact O-N 3.14Å; T661-L663 PolarHBondContact OG1-N 2.87Å; L663-W683 WeakPolarHBondContact CA-O 3.42Å; L663-D684 HydrophobicContact CD2-CB 3.95Å; L663-F723 HydrophobicContact CB-CE1 4.41Å; L663-F723 HydrophobicContact CB-CZ 4.14Å; L663-F723 HydrophobicContact CD1-CE1 3.85Å; L663-F723 HydrophobicContact CD1-CZ 3.6Å; L663-F723 HydrophobicContact CG-CZ 4.36Å; L663-P724 HydrophobicContact CD1-CB 3.87Å |
| 664 | V | 90.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.3 | 178.8 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | L630 I632 I656 M657 W683 | L630-V664 HydrophobicContact CD1-CG1 3.78Å; I632-V664 HydrophobicContact CD1-CG2 3.84Å; I656-V664 CarbonylContact O-C 3.44Å; I656-V664 WeakPolarHBondContact O-CA 3.47Å; M657-V664 HydrophobicContact CB-CG2 4.24Å; M657-V664 HydrophobicContact CG-CG2 4.23Å; V664-W683 HydrophobicContact CB-CB 4.36Å; V664-W683 PolarHBondContact N-O 2.88Å; V664-W683 PolarHBondContact O-N 2.56Å |
| 665 | A | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C655 I656 V680 M681 I682 L703 M705 L710 | C655-A665 CarbonylContact C-O 3.49Å; C655-A665 VanDerWaalsContact CA-O 3.27Å; C655-A665 WeakPolarHBondContact CA-O 3.29Å; I656-A665 HydrophobicContact CG2-CB 3.9Å; I656-A665 PolarHBondContact N-O 3.34Å; I656-A665 PolarHBondContact O-N 3.14Å; A665-V680 HydrophobicContact CB-CG1 4.21Å; A665-M681 CarbonylContact C-O 3.58Å; A665-M681 WeakPolarHBondContact CA-O 3.44Å; A665-I682 HydrophobicContact CB-CD1 3.52Å; A665-L703 HydrophobicContact CB-CD1 4.14Å; A665-M705 HydrophobicContact CB-CE 4.35Å; A665-M705 HydrophobicContact CB-SD 3.58Å; A665-M705 VanDerWaalsContact CB-SD 3.58Å; A665-L710 HydrophobicContact CB-CD1 4.45Å |
| 666 | L | 93 | Very high | 85 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.7 | 178.2 | 66.9 | 86.1 | 0 | 0 | 0 | 112.2 | L630 T649 V652 L654 C655 F675 M681 F690 | L630-L666 HydrophobicContact CD1-CB 4.48Å; L630-L666 HydrophobicContact CD1-CD2 4.26Å; T649-L666 HydrophobicContact CG2-CD2 3.77Å; V652-L666 HydrophobicContact CG1-CB 4.12Å; L654-L666 CarbonylContact O-C 3.37Å; L654-L666 WeakPolarHBondContact O-CA 3.29Å; C655-L666 HydrophobicContact CB-CB 4.37Å; L666-F675 HydrophobicContact CD1-CD2 3.98Å; L666-F675 HydrophobicContact CD1-CE2 4.39Å; L666-M681 HydrophobicContact CD1-CB 3.77Å; L666-M681 HydrophobicContact CD1-CG 4.13Å; L666-M681 HydrophobicContact CG-CB 4.06Å; L666-M681 PolarHBondContact N-O 3.01Å; L666-M681 PolarHBondContact O-N 2.97Å; L666-F690 HydrophobicContact CD1-CE1 4.45Å; L666-F690 HydrophobicContact CD2-CE1 3.99Å; L666-F690 HydrophobicContact CD2-CZ 4.39Å; L666-F690 HydrophobicContact CG-CE1 4.35Å |
| 667 | V | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 130 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 107 | K653 L654 D677 V680 V700 L703 | K653-V667 PolarHBondContact N-O 2.74Å; L654-V667 HydrophobicContact CB-CB 3.99Å; L654-V667 HydrophobicContact CB-CG2 4.26Å; L654-V667 HydrophobicContact CD1-CB 4.38Å; L654-V667 HydrophobicContact CD1-CG2 4.28Å; L654-V667 HydrophobicContact CG-CB 4.39Å; L654-V667 PolarHBondContact N-O 3.13Å; L654-V667 PolarHBondContact O-N 3.14Å; V667-D677 HydrophobicContact CG1-CB 4.23Å; V667-V680 HydrophobicContact CG2-CG2 3.95Å; V667-V700 HydrophobicContact CG1-CB 4.31Å; V667-V700 HydrophobicContact CG2-CB 4.05Å; V667-V700 HydrophobicContact CG2-CG1 3.91Å; V667-L703 HydrophobicContact CG2-CD1 3.86Å; V667-L703 HydrophobicContact CG2-CG 4.39Å |
| 668 | G | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 153.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S651 F675 D677 | S651-G668 WeakPolarHBondContact O-CA 3.44Å; G668-F675 WeakPolarHBondContact CA-O 3.32Å; G668-D677 VanDerWaalsContact O-CA 3.24Å; G668-D677 WeakPolarHBondContact O-CA 3.45Å; G668-D677 WeakPolarHBondContact O-CB 3.49Å |
| 669 | G | 85.5 | Confident | 86.3 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | trans | 166.4 | 141.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S651 | S651-G669 CarbonylContact C-O 3.58Å; S651-G669 VanDerWaalsContact CB-O 3.27Å; S651-G669 WeakPolarHBondContact CB-O 3.23Å; S651-G669 PolarHBondContact O-N 3.02Å | ||
| 670 | G | 82.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 31.4 Ų | 31.4 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 134 | -169 | -172 | 0 | 0 | 0 | 0 | 0 | 114.5 | R672 | G670-R672 VanDerWaalsContact C-N 3.26Å; G670-R672 PolarHBondContact O-N 3.04Å |
| 671 | P | 80.2 | Confident | 88.3 | Confident | 90 Ų | 90 | 31.1 Ų | 31.1 | 58% | 0.584 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -23.5 | -178.1 | 30.9 | -33.6 | 0 | 0 | 0 | 111.4 | D627 | D627-P671 WeakPolarHBondContact OD2-CG 3.45Š|
| 672 | R | 84.4 | Confident | 89.3 | Confident | 101 Ų | 101 | 31 Ų | 31 | 38% | 0.381 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 48.5 | -177.8 | -60.1 | -174.4 | -76.6 | -155.5 | -8.7 | 110.6 | G650 S651 G670 K674 | G650-R672 CarbonylContact C-O 3.56Å; G650-R672 WeakPolarHBondContact CA-O 3.4Å; S651-R672 PolarHBondContact N-O 3.35Å; S651-R672 WeakPolarHBondContact OG-CA 3.18Å; S651-R672 WeakPolarHBondContact OG-CB 3.33Å; S651-R672 PolarHBondContact OG-N 3.3Å; S651-R672 PolarHBondContact OG-O 3.42Å; G670-R672 VanDerWaalsContact C-N 3.26Å; G670-R672 PolarHBondContact O-N 3.04Å; R672-K674 PolarHBondContact O-N 3.38Å |
| 673 | Q | 82.4 | Confident | 90 | Very high | 86 Ų | 86 | 31.4 Ų | 31.4 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | trans | -70.2 | 116.4 | -176.9 | -177.5 | 171.6 | -2.9 | 0 | 0 | 111.5 | F675 | Q673-F675 WeakPolarHBondContact CG-O 3.46Å; Q673-F675 PolarHBondContact NE2-O 2.89Å | ||
| 674 | K | 88 | Confident | 90.1 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 50% | 0.496 | 17% | 0.165 | S | C | . | . | trans | -92.9 | -34.4 | 174.5 | -175.1 | 178 | 179.6 | -177.2 | 0 | 112.7 | E647 V648 R672 | E647-K674 PolarHBondContact O-NZ 2.96Å; V648-K674 WeakPolarHBondContact O-CD 3.22Å; V648-K674 PolarHBondContact O-NZ 3.31Å; R672-K674 PolarHBondContact O-N 3.38Å | ||
| 675 | F | 91 | Very high | 89.8 | Confident | 32 Ų | 32 | 31.6 Ų | 31.6 | 14% | 0.14 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -114.9 | 146.9 | -179.7 | -56.6 | -63.6 | 0 | 0 | 0 | 110.5 | T649 L666 G668 Q673 M681 F690 | T649-F675 WeakPolarHBondContact O-CD2 3.08Å; L666-F675 HydrophobicContact CD1-CD2 3.98Å; L666-F675 HydrophobicContact CD1-CE2 4.39Å; G668-F675 WeakPolarHBondContact CA-O 3.32Å; Q673-F675 WeakPolarHBondContact CG-O 3.46Å; Q673-F675 PolarHBondContact NE2-O 2.89Å; F675-M681 HydrophobicContact CB-CG 3.97Å; F675-M681 HydrophobicContact CD1-CE 3.9Å; F675-M681 HydrophobicContact CD1-CG 3.92Å; F675-M681 HydrophobicContact CD1-SD 3.94Å; F675-M681 HydrophobicContact CD2-CG 3.93Å; F675-M681 HydrophobicContact CE1-CE 3.69Å; F675-M681 HydrophobicContact CE1-CG 4.4Å; F675-M681 HydrophobicContact CE1-SD 4.35Å; F675-M681 HydrophobicContact CE2-CG 4.38Å; F675-M681 HydrophobicContact CG-CG 3.67Å; F675-M681 HydrophobicContact CG-SD 4.27Å; F675-M681 HydrophobicContact CZ-CE 4.18Å; F675-F690 HydrophobicContact CE2-CE1 4.17Å; F675-F690 AromaticContact CE2-CE2 3.89Å; F675-F690 HydrophobicContact CE2-CE2 3.89Å; F675-F690 AromaticContact CE2-CZ 3.53Å; F675-F690 HydrophobicContact CE2-CZ 3.53Å; F675-F690 HydrophobicContact CZ-CD2 4.1Å; F675-F690 HydrophobicContact CZ-CE1 4.35Å; F675-F690 AromaticContact CZ-CE2 3.53Å; F675-F690 HydrophobicContact CZ-CE2 3.53Å; F675-F690 AromaticContact CZ-CZ 3.67Å; F675-F690 HydrophobicContact CZ-CZ 3.67Å |
| 676 | S | 92 | Very high | 89.1 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 36% | 0.357 | 19% | 0.187 | S | C | . | . | trans | -59.4 | 145.2 | 176.5 | -176 | 0 | 0 | 0 | 0 | 111.4 | H678 S679 | S676-H678 PolarHBondContact O-N 2.95Å; S676-H678 WeakPolarHBondContact OG-CB 3.39Å; S676-H678 PolarHBondContact OG-N 3.42Å; S676-H678 VanDerWaalsContact OG-N 3.11Å; S676-H678 PolarHBondContact OG-ND1 3.05Å; S676-S679 PolarHBondContact O-N 3.31Å; S676-S679 VanDerWaalsContact O-N 3.14Å | ||
| 677 | D | 92.9 | Very high | 88.5 | Confident | 35 Ų | 35 | 41.8 Ų | 41.8 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 0 | 170.6 | 65.9 | -25 | 0 | 0 | 0 | 112.3 | K653 V667 G668 V700 | K653-D677 HydrophobicContact CD-CB 4.18Å; K653-D677 IonicContact NZ-OD2 3.61Å; K653-D677 PolarHBondContact NZ-OD2 3.07Å; V667-D677 HydrophobicContact CG1-CB 4.23Å; G668-D677 VanDerWaalsContact O-CA 3.24Å; G668-D677 WeakPolarHBondContact O-CA 3.45Å; G668-D677 WeakPolarHBondContact O-CB 3.49Å; D677-V700 PolarHBondContact O-N 2.8Å |
| 678 | H | 95.6 | Very high | 88.1 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 30% | 0.296 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.7 | 170.7 | -58.8 | 71 | 0 | 0 | 0 | 112.6 | S676 F696 S698 E699 | S676-H678 PolarHBondContact O-N 2.95Å; S676-H678 WeakPolarHBondContact OG-CB 3.39Å; S676-H678 PolarHBondContact OG-N 3.42Å; S676-H678 VanDerWaalsContact OG-N 3.11Å; S676-H678 PolarHBondContact OG-ND1 3.05Å; H678-F696 WeakPolarHBondContact CB-O 3.44Å; H678-F696 WeakPolarHBondContact O-CB 3.47Å; H678-F696 PolarHBondContact O-N 3.43Å; H678-S698 WeakPolarHBondContact CD2-CA 3.34Å; H678-E699 PolarHBondContact CD2-N 3.19Å; H678-E699 VanDerWaalsContact CD2-N 3.3Å; H678-E699 PolarHBondContact NE2-N 3.43Å |
| 679 | S | 94.2 | Very high | 88.2 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.7 | -178.3 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | S676 E693 V694 | S676-S679 PolarHBondContact O-N 3.31Å; S676-S679 VanDerWaalsContact O-N 3.14Å; S679-E693 VanDerWaalsContact CB-OE1 3.31Å; S679-E693 WeakPolarHBondContact CB-OE1 3.3Å; S679-E693 PolarHBondContact OG-OE1 2.84Å; S679-V694 WeakPolarHBondContact CA-O 3.41Å |
| 680 | V | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.8 | 170.6 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | A665 V667 I682 E693 V694 F696 V700 L703 L710 V712 | A665-V680 HydrophobicContact CB-CG1 4.21Å; V667-V680 HydrophobicContact CG2-CG2 3.95Å; V680-I682 HydrophobicContact CG1-CD1 4.12Å; V680-E693 CarbonylContact O-C 3.49Å; V680-E693 WeakPolarHBondContact O-CA 3.42Å; V680-V694 HydrophobicContact CB-CB 4.44Å; V680-V694 PolarHBondContact N-O 2.93Å; V680-V694 PolarHBondContact O-N 3.48Å; V680-F696 HydrophobicContact CB-CE2 4.41Å; V680-F696 HydrophobicContact CG2-CD2 4.24Å; V680-F696 HydrophobicContact CG2-CE2 3.7Å; V680-V700 HydrophobicContact CG2-CG1 4.26Å; V680-V700 HydrophobicContact CG2-CG2 4.01Å; V680-L703 HydrophobicContact CG1-CD1 4.1Å; V680-L703 HydrophobicContact CG1-CD2 4.04Å; V680-L703 HydrophobicContact CG2-CD2 3.67Å; V680-L710 HydrophobicContact CG1-CD2 4.48Å; V680-V712 HydrophobicContact CG2-CG1 4.05Å; V680-V712 HydrophobicContact CG2-CG2 4.03Å |
| 681 | M | 94.4 | Very high | 88.9 | Confident | 11 Ų | 11 | 54.2 Ų | 54.2 | 5% | 0.054 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.7 | 177.5 | -57.5 | -57.5 | -65.5 | 0 | 0 | 110.1 | A665 L666 F675 F690 E693 | A665-M681 CarbonylContact C-O 3.58Å; A665-M681 WeakPolarHBondContact CA-O 3.44Å; L666-M681 HydrophobicContact CD1-CB 3.77Å; L666-M681 HydrophobicContact CD1-CG 4.13Å; L666-M681 HydrophobicContact CG-CB 4.06Å; L666-M681 PolarHBondContact N-O 3.01Å; L666-M681 PolarHBondContact O-N 2.97Å; F675-M681 HydrophobicContact CB-CG 3.97Å; F675-M681 HydrophobicContact CD1-CE 3.9Å; F675-M681 HydrophobicContact CD1-CG 3.92Å; F675-M681 HydrophobicContact CD1-SD 3.94Å; F675-M681 HydrophobicContact CD2-CG 3.93Å; F675-M681 HydrophobicContact CE1-CE 3.69Å; F675-M681 HydrophobicContact CE1-CG 4.4Å; F675-M681 HydrophobicContact CE1-SD 4.35Å; F675-M681 HydrophobicContact CE2-CG 4.38Å; F675-M681 HydrophobicContact CG-CG 3.67Å; F675-M681 HydrophobicContact CG-SD 4.27Å; F675-M681 HydrophobicContact CZ-CE 4.18Å; M681-F690 HydrophobicContact CB-CD1 3.81Å; M681-F690 HydrophobicContact CB-CE1 3.82Å; M681-F690 HydrophobicContact CE-CB 4.17Å; M681-F690 HydrophobicContact CE-CD1 4.05Å; M681-F690 HydrophobicContact CE-CG 4.02Å; M681-E693 HydrophobicContact CE-CB 4.2Å; M681-E693 HydrophobicContact CE-CG 4.5Å; M681-E693 HydrophobicContact SD-CB 3.81Å; M681-E693 HydrophobicContact SD-CG 3.57Å; M681-E693 VanDerWaalsContact SD-CG 3.57Å |
| 682 | I | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.6 | 175.5 | -52.1 | -59.6 | 0 | 0 | 0 | 109.3 | A665 V680 F690 V691 A692 L710 F723 | A665-I682 HydrophobicContact CB-CD1 3.52Å; V680-I682 HydrophobicContact CG1-CD1 4.12Å; I682-F690 CarbonylContact O-C 3.59Å; I682-F690 VanDerWaalsContact O-CA 3.28Å; I682-F690 WeakPolarHBondContact O-CA 3.32Å; I682-V691 HydrophobicContact CB-CG2 4.09Å; I682-V691 HydrophobicContact CG2-CG2 3.67Å; I682-V691 WeakPolarHBondContact O-CG2 3.38Å; I682-V691 PolarHBondContact O-N 2.94Å; I682-A692 HydrophobicContact CB-CB 4.1Å; I682-A692 HydrophobicContact CG1-CB 4Å; I682-A692 PolarHBondContact N-O 3.17Å; I682-L710 HydrophobicContact CD1-CD2 4.11Å; I682-F723 HydrophobicContact CG2-CE2 4.03Å; I682-F723 HydrophobicContact CG2-CZ 4.03Å |
| 683 | W | 92.2 | Very high | 89.8 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 135.3 | 172.7 | 177.2 | -101.8 | 0 | 0 | 0 | 110.9 | L644 V648 L663 V664 D685 K688 F690 | L644-W683 HydrophobicContact CD1-CD2 3.95Å; L644-W683 HydrophobicContact CD1-CG 3.85Å; L644-W683 HydrophobicContact CD2-CD2 4.42Å; L644-W683 HydrophobicContact CD2-CH2 4.31Å; L644-W683 HydrophobicContact CD2-CZ2 3.51Å; V648-W683 HydrophobicContact CG1-CE3 4.27Å; V648-W683 HydrophobicContact CG1-CH2 3.79Å; V648-W683 HydrophobicContact CG1-CZ3 3.63Å; L663-W683 WeakPolarHBondContact CA-O 3.42Å; V664-W683 HydrophobicContact CB-CB 4.36Å; V664-W683 PolarHBondContact N-O 2.88Å; V664-W683 PolarHBondContact O-N 2.56Å; W683-D685 VanDerWaalsContact NE1-CA 3.35Å; W683-K688 HydrophobicContact CH2-CB 4.29Å; W683-K688 WeakPolarHBondContact CH2-O 3.36Å; W683-K688 HydrophobicContact CZ2-CB 4.25Å; W683-K688 HydrophobicContact CZ2-CD 4.1Å; W683-F690 HydrophobicContact CB-CD1 4.18Å; W683-F690 HydrophobicContact CB-CE1 4.02Å; W683-F690 HydrophobicContact CE3-CD1 4.1Å; W683-F690 AromaticContact CE3-CD2 3.96Å; W683-F690 HydrophobicContact CE3-CD2 3.96Å; W683-F690 AromaticContact CE3-CE1 3.99Å; W683-F690 HydrophobicContact CE3-CE1 3.99Å; W683-F690 AromaticContact CE3-CE2 3.83Å; W683-F690 HydrophobicContact CE3-CE2 3.83Å; W683-F690 HydrophobicContact CE3-CG 4.1Å; W683-F690 AromaticContact CE3-CZ 3.85Å; W683-F690 HydrophobicContact CE3-CZ 3.85Å; W683-F690 HydrophobicContact CZ3-CD2 4.16Å; W683-F690 HydrophobicContact CZ3-CE2 4.01Å; W683-F690 HydrophobicContact CZ3-CZ 4.42Å |
| 684 | D | 89.1 | Confident | 90.4 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 6% | 0.064 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 107.2 | 169.4 | -175.6 | -26 | 0 | 0 | 0 | 108.8 | N662 L663 D686 K687 K688 C689 V691 | N662-D684 VanDerWaalsContact ND2-CG 3.35Å; N662-D684 PolarHBondContact ND2-OD1 2.64Å; L663-D684 HydrophobicContact CD2-CB 3.95Å; D684-D686 PolarHBondContact O-N 3.15Å; D684-D686 WeakPolarHBondContact OD1-CB 3.29Å; D684-D686 PolarHBondContact OD1-N 3.44Å; D684-K687 HydrophobicContact CB-CB 4.18Å; D684-K687 HydrophobicContact CB-CG 4.48Å; D684-K687 PolarHBondContact O-N 3.44Å; D684-K687 PolarHBondContact OD1-N 3.11Å; D684-K687 VanDerWaalsContact OD1-N 3.13Å; D684-K687 WeakPolarHBondContact OD2-CD 3.34Å; D684-K688 WeakPolarHBondContact O-CA 3.39Å; D684-K688 PolarHBondContact O-N 3.46Å; D684-C689 PolarHBondContact N-O 2.91Å; D684-C689 PolarHBondContact O-N 2.84Å; D684-V691 HydrophobicContact CB-CB 4.41Å; D684-V691 HydrophobicContact CB-CG1 3.45Å; D684-V691 VanDerWaalsContact CB-CG1 3.45Å; D684-V691 HydrophobicContact CB-CG2 4.06Å |
| 685 | D | 83.8 | Confident | 90.8 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.4 | -177.4 | -171.5 | 53.9 | 0 | 0 | 0 | 113.8 | Y516 N662 W683 K688 | Y516-D685 WeakPolarHBondContact CE1-OD2 3.32Å; Y516-D685 PolarHBondContact OH-OD2 3.02Å; N662-D685 HydrophobicContact CB-CB 4.05Å; N662-D685 WeakPolarHBondContact O-CB 3.37Å; N662-D685 PolarHBondContact O-N 3.5Å; W683-D685 VanDerWaalsContact NE1-CA 3.35Å; D685-K688 VanDerWaalsContact O-CD 3.23Å; D685-K688 WeakPolarHBondContact O-CD 3.38Å; D685-K688 WeakPolarHBondContact O-CE 2.85Å; D685-K688 PolarHBondContact O-NZ 3.47Å; D685-K688 IonicContact OD1-NZ 2.71Å; D685-K688 PolarHBondContact OD1-NZ 2.85Å; D685-K688 IonicContact OD2-NZ 3.42Å |
| 686 | D | 76.4 | Confident | 91 | Very high | 79 Ų | 79 | 45.7 Ų | 45.7 | 42% | 0.422 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -44.2 | 174.2 | -176 | 41.1 | 0 | 0 | 0 | 110 | H512 N662 D684 K688 | H512-D686 IonicContact CD2-OD1 2.74Å; H512-D686 IonicContact CE1-OD1 3.37Å; H512-D686 PolarHBondContact CE1-OD1 3.41Å; H512-D686 VanDerWaalsContact CE1-OD1 3.26Å; H512-D686 IonicContact CG-OD1 3.96Å; H512-D686 IonicContact CG-OD2 3.41Å; H512-D686 IonicContact ND1-OD1 3.12Å; H512-D686 IonicContact NE2-OD1 2.73Å; H512-D686 PolarHBondContact NE2-OD1 2.94Å; N662-D686 HydrophobicContact CB-CB 4.24Å; D684-D686 PolarHBondContact O-N 3.15Å; D684-D686 WeakPolarHBondContact OD1-CB 3.29Å; D684-D686 PolarHBondContact OD1-N 3.44Å; D686-K688 VanDerWaalsContact C-N 3.33Å |
| 687 | K | 80.7 | Confident | 91 | Very high | 134 Ų | 134 | 49 Ų | 49 | 58% | 0.583 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -10.8 | 177.1 | -62.8 | -178.7 | -173.2 | 172.8 | 0 | 114.3 | D684 C689 V691 | D684-K687 HydrophobicContact CB-CB 4.18Å; D684-K687 HydrophobicContact CB-CG 4.48Å; D684-K687 PolarHBondContact O-N 3.44Å; D684-K687 PolarHBondContact OD1-N 3.11Å; D684-K687 VanDerWaalsContact OD1-N 3.13Å; D684-K687 WeakPolarHBondContact OD2-CD 3.34Å; K687-C689 VanDerWaalsContact CB-SG 3.59Å; K687-C689 PolarHBondContact O-N 2.74Å; K687-V691 HydrophobicContact CD-CG1 3.96Å |
| 688 | K | 85.8 | Confident | 91.1 | Very high | 129 Ų | 129 | 49.3 Ų | 49.3 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 40.3 | -172.7 | -58.5 | -66 | 179.4 | -174.1 | 0 | 112.5 | W683 D684 D685 D686 | W683-K688 HydrophobicContact CH2-CB 4.29Å; W683-K688 WeakPolarHBondContact CH2-O 3.36Å; W683-K688 HydrophobicContact CZ2-CB 4.25Å; W683-K688 HydrophobicContact CZ2-CD 4.1Å; D684-K688 WeakPolarHBondContact O-CA 3.39Å; D684-K688 PolarHBondContact O-N 3.46Å; D685-K688 VanDerWaalsContact O-CD 3.23Å; D685-K688 WeakPolarHBondContact O-CD 3.38Å; D685-K688 WeakPolarHBondContact O-CE 2.85Å; D685-K688 PolarHBondContact O-NZ 3.47Å; D685-K688 IonicContact OD1-NZ 2.71Å; D685-K688 PolarHBondContact OD1-NZ 2.85Å; D685-K688 IonicContact OD2-NZ 3.42Å; D686-K688 VanDerWaalsContact C-N 3.33Å |
| 689 | C | 91.3 | Very high | 91 | Very high | 52 Ų | 52 | 49.5 Ų | 49.5 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.9 | 179.3 | 73.2 | 0 | 0 | 0 | 0 | 112.7 | D684 K687 | D684-C689 PolarHBondContact N-O 2.91Å; D684-C689 PolarHBondContact O-N 2.84Å; K687-C689 VanDerWaalsContact CB-SG 3.59Å; K687-C689 PolarHBondContact O-N 2.74Å |
| 690 | F | 91.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 49.1 Ų | 49.1 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 120.8 | 169.3 | -67.7 | -78.5 | 0 | 0 | 0 | 109.8 | V648 T649 L666 F675 M681 I682 W683 | V648-F690 HydrophobicContact CG1-CE2 4.21Å; V648-F690 HydrophobicContact CG1-CZ 4.45Å; T649-F690 HydrophobicContact CG2-CZ 4.33Å; L666-F690 HydrophobicContact CD1-CE1 4.45Å; L666-F690 HydrophobicContact CD2-CE1 3.99Å; L666-F690 HydrophobicContact CD2-CZ 4.39Å; L666-F690 HydrophobicContact CG-CE1 4.35Å; F675-F690 HydrophobicContact CE2-CE1 4.17Å; F675-F690 AromaticContact CE2-CE2 3.89Å; F675-F690 HydrophobicContact CE2-CE2 3.89Å; F675-F690 AromaticContact CE2-CZ 3.53Å; F675-F690 HydrophobicContact CE2-CZ 3.53Å; F675-F690 HydrophobicContact CZ-CD2 4.1Å; F675-F690 HydrophobicContact CZ-CE1 4.35Å; F675-F690 AromaticContact CZ-CE2 3.53Å; F675-F690 HydrophobicContact CZ-CE2 3.53Å; F675-F690 AromaticContact CZ-CZ 3.67Å; F675-F690 HydrophobicContact CZ-CZ 3.67Å; M681-F690 HydrophobicContact CB-CD1 3.81Å; M681-F690 HydrophobicContact CB-CE1 3.82Å; M681-F690 HydrophobicContact CE-CB 4.17Å; M681-F690 HydrophobicContact CE-CD1 4.05Å; M681-F690 HydrophobicContact CE-CG 4.02Å; I682-F690 CarbonylContact O-C 3.59Å; I682-F690 VanDerWaalsContact O-CA 3.28Å; I682-F690 WeakPolarHBondContact O-CA 3.32Å; W683-F690 HydrophobicContact CB-CD1 4.18Å; W683-F690 HydrophobicContact CB-CE1 4.02Å; W683-F690 HydrophobicContact CE3-CD1 4.1Å; W683-F690 AromaticContact CE3-CD2 3.96Å; W683-F690 HydrophobicContact CE3-CD2 3.96Å; W683-F690 AromaticContact CE3-CE1 3.99Å; W683-F690 HydrophobicContact CE3-CE1 3.99Å; W683-F690 AromaticContact CE3-CE2 3.83Å; W683-F690 HydrophobicContact CE3-CE2 3.83Å; W683-F690 HydrophobicContact CE3-CG 4.1Å; W683-F690 AromaticContact CE3-CZ 3.85Å; W683-F690 HydrophobicContact CE3-CZ 3.85Å; W683-F690 HydrophobicContact CZ3-CD2 4.16Å; W683-F690 HydrophobicContact CZ3-CE2 4.01Å; W683-F690 HydrophobicContact CZ3-CZ 4.42Å |
| 691 | V | 90.7 | Very high | 91 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.376 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -16.3 | -175.4 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | I682 D684 K687 | I682-V691 HydrophobicContact CB-CG2 4.09Å; I682-V691 HydrophobicContact CG2-CG2 3.67Å; I682-V691 WeakPolarHBondContact O-CG2 3.38Å; I682-V691 PolarHBondContact O-N 2.94Å; D684-V691 HydrophobicContact CB-CB 4.41Å; D684-V691 HydrophobicContact CB-CG1 3.45Å; D684-V691 VanDerWaalsContact CB-CG1 3.45Å; D684-V691 HydrophobicContact CB-CG2 4.06Å; K687-V691 HydrophobicContact CD-CG1 3.96Å |
| 692 | A | 91.6 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 152 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I682 P727 | I682-A692 HydrophobicContact CB-CB 4.1Å; I682-A692 HydrophobicContact CG1-CB 4Å; I682-A692 PolarHBondContact N-O 3.17Å; A692-P727 HydrophobicContact CB-CG 3.91Å |
| 693 | E | 93.7 | Very high | 90.8 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 55% | 0.547 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.9 | 167.4 | 175.9 | 173.5 | -175.2 | 0 | 0 | 108.4 | S679 V680 M681 | S679-E693 VanDerWaalsContact CB-OE1 3.31Å; S679-E693 WeakPolarHBondContact CB-OE1 3.3Å; S679-E693 PolarHBondContact OG-OE1 2.84Å; V680-E693 CarbonylContact O-C 3.49Å; V680-E693 WeakPolarHBondContact O-CA 3.42Å; M681-E693 HydrophobicContact CE-CB 4.2Å; M681-E693 HydrophobicContact CE-CG 4.5Å; M681-E693 HydrophobicContact SD-CB 3.81Å; M681-E693 HydrophobicContact SD-CG 3.57Å; M681-E693 VanDerWaalsContact SD-CG 3.57Å |
| 694 | V | 94.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 109.2 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | S679 V680 F696 F721 P727 | S679-V694 WeakPolarHBondContact CA-O 3.41Å; V680-V694 HydrophobicContact CB-CB 4.44Å; V680-V694 PolarHBondContact N-O 2.93Å; V680-V694 PolarHBondContact O-N 3.48Å; V694-F696 HydrophobicContact CB-CE2 4Å; V694-F696 HydrophobicContact CB-CZ 4.33Å; V694-F696 HydrophobicContact CG1-CE1 4.41Å; V694-F696 HydrophobicContact CG1-CE2 3.59Å; V694-F696 HydrophobicContact CG1-CZ 3.5Å; V694-F696 WeakPolarHBondContact O-CD2 3.4Å; V694-F696 VanDerWaalsContact O-CE2 3.27Å; V694-F696 WeakPolarHBondContact O-CE2 3.47Å; V694-F721 HydrophobicContact CG1-CD1 4.42Å; V694-F721 HydrophobicContact CG1-CE1 3.66Å; V694-F721 HydrophobicContact CG1-CE2 4.26Å; V694-F721 HydrophobicContact CG1-CZ 3.57Å; V694-P727 HydrophobicContact CG2-CB 3.71Å; V694-P727 HydrophobicContact CG2-CG 3.8Å |
| 695 | A | 94.9 | Very high | 90.6 | Very high | 74 Ų | 74 | 51.9 Ų | 51.9 | 61% | 0.612 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 147.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 696 | F | 95.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.088 | 28% | 0.284 | C | S | . | . | trans | -128.6 | 155.7 | -179.2 | -64.7 | -86.4 | 0 | 0 | 0 | 110.9 | H678 V680 V694 S698 V700 V712 L714 H719 F721 | H678-F696 WeakPolarHBondContact CB-O 3.44Å; H678-F696 WeakPolarHBondContact O-CB 3.47Å; H678-F696 PolarHBondContact O-N 3.43Å; V680-F696 HydrophobicContact CB-CE2 4.41Å; V680-F696 HydrophobicContact CG2-CD2 4.24Å; V680-F696 HydrophobicContact CG2-CE2 3.7Å; V694-F696 HydrophobicContact CB-CE2 4Å; V694-F696 HydrophobicContact CB-CZ 4.33Å; V694-F696 HydrophobicContact CG1-CE1 4.41Å; V694-F696 HydrophobicContact CG1-CE2 3.59Å; V694-F696 HydrophobicContact CG1-CZ 3.5Å; V694-F696 WeakPolarHBondContact O-CD2 3.4Å; V694-F696 VanDerWaalsContact O-CE2 3.27Å; V694-F696 WeakPolarHBondContact O-CE2 3.47Å; F696-S698 VanDerWaalsContact C-N 3.25Å; F696-S698 PolarHBondContact O-N 3.12Å; F696-V700 HydrophobicContact CB-CG2 4.48Å; F696-V700 HydrophobicContact CD2-CG2 3.78Å; F696-V700 HydrophobicContact CE2-CG2 4.44Å; F696-V700 HydrophobicContact CG-CG2 4.32Å; F696-V712 HydrophobicContact CD1-CG1 4.49Å; F696-V712 HydrophobicContact CD2-CG1 4.09Å; F696-V712 HydrophobicContact CE1-CB 4.09Å; F696-V712 HydrophobicContact CE1-CG1 4.05Å; F696-V712 HydrophobicContact CE1-CG2 4.5Å; F696-V712 HydrophobicContact CE2-CB 4.09Å; F696-V712 HydrophobicContact CE2-CG1 3.63Å; F696-V712 HydrophobicContact CE2-CG2 3.95Å; F696-V712 HydrophobicContact CZ-CB 3.6Å; F696-V712 HydrophobicContact CZ-CG1 3.6Å; F696-V712 HydrophobicContact CZ-CG2 3.58Å; F696-L714 HydrophobicContact CB-CD1 4.31Å; F696-L714 HydrophobicContact CB-CD2 4.09Å; F696-L714 HydrophobicContact CD1-CD1 4.08Å; F696-L714 HydrophobicContact CD1-CD2 4.41Å; F696-L714 HydrophobicContact CG-CD2 4.26Å; F696-H719 AromaticContact CD1-CD2 3.72Å; F696-H719 HydrophobicContact CE1-CB 4.01Å; F696-H719 AromaticContact CE1-CD2 3.55Å; F696-H719 AromaticContact CE1-CG 3.83Å; F696-F721 AromaticContact CE1-CE2 3.82Å; F696-F721 HydrophobicContact CE1-CE2 3.82Å; F696-F721 AromaticContact CE1-CZ 3.75Å; F696-F721 HydrophobicContact CE1-CZ 3.75Å; F696-F721 AromaticContact CZ-CE2 3.53Å; F696-F721 HydrophobicContact CZ-CE2 3.53Å; F696-F721 AromaticContact CZ-CZ 3.6Å; F696-F721 HydrophobicContact CZ-CZ 3.6Å | ||
| 697 | P | 92.2 | Very high | 90.3 | Very high | 119 Ų | 119 | 48.6 Ų | 48.6 | 77% | 0.773 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -76.3 | -11.6 | -179.8 | 30.9 | -36.6 | 0 | 0 | 0 | 113.8 | ||
| 698 | S | 94.6 | Very high | 90.2 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -141.1 | 163.9 | -179.6 | 65 | 0 | 0 | 0 | 0 | 110.7 | H678 F696 V700 L714 | H678-S698 WeakPolarHBondContact CD2-CA 3.34Å; F696-S698 VanDerWaalsContact C-N 3.25Å; F696-S698 PolarHBondContact O-N 3.12Å; S698-V700 PolarHBondContact O-N 2.81Å; S698-L714 WeakPolarHBondContact O-CD2 3.15Å; S698-L714 WeakPolarHBondContact OG-CD1 3.45Å |
| 699 | E | 94 | Very high | 90.2 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | trans | -46.7 | 130 | 176.2 | -175.7 | -170.6 | 173.3 | 0 | 0 | 112.7 | K653 H678 L701 L714 | K653-E699 WeakPolarHBondContact CE-OE1 3.46Å; K653-E699 VanDerWaalsContact NZ-CD 3.27Å; K653-E699 VanDerWaalsContact NZ-CG 3.33Å; K653-E699 IonicContact NZ-OE1 2.58Å; K653-E699 PolarHBondContact NZ-OE1 3.44Å; H678-E699 PolarHBondContact CD2-N 3.19Å; H678-E699 VanDerWaalsContact CD2-N 3.3Å; H678-E699 PolarHBondContact NE2-N 3.43Å; E699-L701 HydrophobicContact CG-CD2 4.11Å; E699-L701 PolarHBondContact O-N 2.86Å; E699-L714 VanDerWaalsContact O-CD2 3.3Å; E699-L714 WeakPolarHBondContact O-CD2 3.27Å | ||
| 700 | V | 95.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -77.9 | 120 | 171.4 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | L654 V667 D677 V680 F696 S698 L703 V712 L714 | L654-V700 HydrophobicContact CD1-CG1 3.97Å; L654-V700 VanDerWaalsContact CD1-O 3.31Å; L654-V700 WeakPolarHBondContact CD1-O 3.36Å; V667-V700 HydrophobicContact CG1-CB 4.31Å; V667-V700 HydrophobicContact CG2-CB 4.05Å; V667-V700 HydrophobicContact CG2-CG1 3.91Å; D677-V700 PolarHBondContact O-N 2.8Å; V680-V700 HydrophobicContact CG2-CG1 4.26Å; V680-V700 HydrophobicContact CG2-CG2 4.01Å; F696-V700 HydrophobicContact CB-CG2 4.48Å; F696-V700 HydrophobicContact CD2-CG2 3.78Å; F696-V700 HydrophobicContact CE2-CG2 4.44Å; F696-V700 HydrophobicContact CG-CG2 4.32Å; S698-V700 PolarHBondContact O-N 2.81Å; V700-L703 HydrophobicContact CG1-CD2 3.89Å; V700-L703 HydrophobicContact CG1-CG 4.27Å; V700-V712 HydrophobicContact CB-CG1 4.37Å; V700-V712 HydrophobicContact CG1-CG1 3.59Å; V700-V712 HydrophobicContact CG2-CG1 3.92Å; V700-L714 HydrophobicContact CG2-CD2 4.19Å | ||
| 701 | L | 93.7 | Very high | 90.3 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | trans | -96 | -30.1 | -176.3 | -61.2 | 178.8 | 0 | 0 | 0 | 113 | E699 V713 R715 N738 | E699-L701 HydrophobicContact CG-CD2 4.11Å; E699-L701 PolarHBondContact O-N 2.86Å; L701-V713 PolarHBondContact N-O 2.99Å; L701-R715 HydrophobicContact CD1-CB 4.01Å; L701-N738 WeakPolarHBondContact CD1-O 3.3Å | ||
| 702 | S | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 152.1 | 179.8 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | V713 G741 | S702-V713 PolarHBondContact N-O 2.86Å; S702-V713 PolarHBondContact O-N 3.29Å; S702-G741 WeakPolarHBondContact CB-O 3.2Å; S702-G741 PolarHBondContact OG-O 3.35Å |
| 703 | L | 92 | Very high | 90.7 | Very high | 10 Ų | 10 | 29.9 Ų | 29.9 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 136.9 | 177.5 | -66 | 179.2 | 0 | 0 | 0 | 110.4 | L654 I656 A665 V667 V680 V700 V711 V712 | L654-L703 HydrophobicContact CB-CD1 4.48Å; I656-L703 HydrophobicContact CG2-CB 3.72Å; I656-L703 HydrophobicContact CG2-CD1 4.21Å; A665-L703 HydrophobicContact CB-CD1 4.14Å; V667-L703 HydrophobicContact CG2-CD1 3.86Å; V667-L703 HydrophobicContact CG2-CG 4.39Å; V680-L703 HydrophobicContact CG1-CD1 4.1Å; V680-L703 HydrophobicContact CG1-CD2 4.04Å; V680-L703 HydrophobicContact CG2-CD2 3.67Å; V700-L703 HydrophobicContact CG1-CD2 3.89Å; V700-L703 HydrophobicContact CG1-CG 4.27Å; L703-V711 WeakPolarHBondContact CA-O 3.42Å; L703-V712 HydrophobicContact CD2-CB 4.25Å; L703-V712 HydrophobicContact CD2-CG1 4.02Å; L703-V712 HydrophobicContact CD2-CG2 3.8Å |
| 704 | K | 90.4 | Very high | 90.9 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 15% | 0.148 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.9 | 169 | -56.8 | -70.3 | 174.2 | -171.1 | 0 | 110 | E616 V711 C743 L745 | E616-K704 WeakPolarHBondContact OE1-CD 3.07Å; E616-K704 WeakPolarHBondContact OE1-CE 3.32Å; E616-K704 IonicContact OE1-NZ 2.8Å; E616-K704 PolarHBondContact OE1-NZ 2.6Å; K704-V711 HydrophobicContact CB-CB 4.09Å; K704-V711 PolarHBondContact N-O 3.47Å; K704-V711 PolarHBondContact O-N 2.92Å; K704-C743 WeakPolarHBondContact CE-O 3.33Å; K704-C743 HydrophobicContact CG-CB 4.49Å; K704-L745 HydrophobicContact CB-CB 4.1Å; K704-L745 HydrophobicContact CB-CD2 4.16Å |
| 705 | M | 86.5 | Confident | 90.9 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.6 | 179.8 | -65.3 | -177 | 80.7 | 0 | 0 | 109.9 | I656 L658 A665 K709 L710 F723 | I656-M705 HydrophobicContact CG2-CG 3.91Å; I656-M705 HydrophobicContact CG2-SD 3.75Å; L658-M705 HydrophobicContact CB-CE 3.82Å; L658-M705 HydrophobicContact CB-SD 4.24Å; L658-M705 HydrophobicContact CD1-CB 4.07Å; A665-M705 HydrophobicContact CB-CE 4.35Å; A665-M705 HydrophobicContact CB-SD 3.58Å; A665-M705 VanDerWaalsContact CB-SD 3.58Å; M705-K709 WeakPolarHBondContact CA-O 3.26Å; M705-L710 HydrophobicContact CE-CD1 4.46Å; M705-L710 HydrophobicContact CG-CD1 3.71Å; M705-L710 HydrophobicContact SD-CD1 4.36Å; M705-F723 HydrophobicContact CE-CD1 3.54Å; M705-F723 HydrophobicContact CE-CE1 3.08Å; M705-F723 HydrophobicContact CE-CE2 4.46Å; M705-F723 HydrophobicContact CE-CG 4.38Å; M705-F723 HydrophobicContact CE-CZ 3.61Å |
| 706 | S | 80.8 | Confident | 90.9 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 172 | 163.3 | 73.6 | 0 | 0 | 0 | 0 | 109.5 | L658 A708 K709 | L658-S706 VanDerWaalsContact CD1-O 3.22Å; L658-S706 WeakPolarHBondContact CD1-O 3.31Å; S706-A708 PolarHBondContact O-N 3.21Å; S706-A708 PolarHBondContact OG-N 3.43Å; S706-K709 PolarHBondContact N-O 2.9Å; S706-K709 PolarHBondContact O-N 2.6Å; S706-K709 WeakPolarHBondContact OG-CB 3.44Å; S706-K709 PolarHBondContact OG-N 3.25Å; S706-K709 VanDerWaalsContact OG-N 3.11Å |
| 707 | Y | 73 | Confident | 90.9 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -14.9 | 173.7 | -74.8 | -66.5 | 0 | 0 | 0 | 115.2 | D453 L507 H509 L510 H659 P724 | D453-Y707 HydrophobicContact CB-CE2 4.24Å; D453-Y707 VanDerWaalsContact CB-OH 3.27Å; D453-Y707 WeakPolarHBondContact CB-OH 3.05Å; D453-Y707 VanDerWaalsContact CG-OH 3.27Å; D453-Y707 PolarHBondContact OD2-OH 3.08Å; L507-Y707 HydrophobicContact CD1-CD1 4.25Å; L507-Y707 HydrophobicContact CD2-CD1 4.47Å; H509-Y707 AromaticContact CE1-CD1 3.92Å; H509-Y707 AromaticContact NE2-CD1 3.48Å; H509-Y707 WeakPolarHBondContact NE2-CD1 3.48Å; H509-Y707 AromaticContact NE2-CE1 3.62Å; L510-Y707 HydrophobicContact CD2-CE1 4.37Å; H659-Y707 HydrophobicContact CB-CE1 4.43Å; H659-Y707 WeakPolarHBondContact CB-OH 3.19Å; H659-Y707 AromaticContact CD2-CD2 3.62Å; H659-Y707 AromaticContact CD2-CE1 3.78Å; H659-Y707 AromaticContact CD2-CE2 3.25Å; H659-Y707 WeakPolarHBondContact CD2-CE2 3.45Å; H659-Y707 AromaticContact CD2-CZ 3.33Å; H659-Y707 AromaticContact CG-CE2 3.85Å; H659-Y707 AromaticContact CG-CZ 3.7Å; H659-Y707 AromaticContact NE2-CD2 3.58Å; H659-Y707 AromaticContact NE2-CE2 3.44Å; H659-Y707 WeakPolarHBondContact NE2-CE2 3.04Å; Y707-P724 WeakPolarHBondContact O-CD 3.25Å |
| 708 | A | 78 | Confident | 91 | Very high | 28 Ų | 28 | 28.1 Ų | 28.1 | 23% | 0.231 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -7.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114 | S706 F723 | S706-A708 PolarHBondContact O-N 3.21Å; S706-A708 PolarHBondContact OG-N 3.43Å; A708-F723 CarbonylContact C-O 3.45Å; A708-F723 WeakPolarHBondContact CA-O 3.23Å; A708-F723 PolarHBondContact N-O 3.28Å; A708-F723 PolarHBondContact O-N 2.91Å |
| 709 | K | 86.9 | Confident | 91 | Very high | 28 Ų | 28 | 26.4 Ų | 26.4 | 12% | 0.122 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.1 | -171.4 | -54.2 | -67.3 | 172.1 | -50.3 | 0 | 112.3 | M705 S706 V720 F721 F723 L730 E752 L769 | M705-K709 WeakPolarHBondContact CA-O 3.26Å; S706-K709 PolarHBondContact N-O 2.9Å; S706-K709 PolarHBondContact O-N 2.6Å; S706-K709 WeakPolarHBondContact OG-CB 3.44Å; S706-K709 PolarHBondContact OG-N 3.25Å; S706-K709 VanDerWaalsContact OG-N 3.11Å; K709-V720 HydrophobicContact CB-CG1 4.27Å; K709-V720 HydrophobicContact CD-CG1 3.78Å; K709-V720 HydrophobicContact CG-CG1 4.25Å; K709-F721 VanDerWaalsContact CA-O 3.24Å; K709-F721 WeakPolarHBondContact CA-O 2.97Å; K709-F723 PolarHBondContact N-O 3.01Å; K709-L730 HydrophobicContact CD-CD1 3.49Å; K709-L730 VanDerWaalsContact CD-CD1 3.49Å; K709-L730 VanDerWaalsContact CE-CD1 3.44Å; K709-E752 WeakPolarHBondContact CE-OE2 3.42Å; K709-E752 VanDerWaalsContact CG-OE2 3.28Å; K709-E752 WeakPolarHBondContact CG-OE2 3.33Å; K709-E752 IonicContact NZ-OE1 3.71Å; K709-E752 IonicContact NZ-OE2 2.92Å; K709-E752 PolarHBondContact NZ-OE2 2.98Å; K709-L769 HydrophobicContact CG-CD1 4.17Å |
| 710 | L | 91.5 | Very high | 91 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 160.7 | 169.5 | 67.8 | 0 | 0 | 0 | 107.2 | A665 V680 I682 M705 V712 F721 F723 | A665-L710 HydrophobicContact CB-CD1 4.45Å; V680-L710 HydrophobicContact CG1-CD2 4.48Å; I682-L710 HydrophobicContact CD1-CD2 4.11Å; M705-L710 HydrophobicContact CE-CD1 4.46Å; M705-L710 HydrophobicContact CG-CD1 3.71Å; M705-L710 HydrophobicContact SD-CD1 4.36Å; L710-V712 HydrophobicContact CG-CG2 4.22Å; L710-F721 HydrophobicContact CB-CB 4.23Å; L710-F721 PolarHBondContact N-O 2.99Å; L710-F721 PolarHBondContact O-N 2.93Å; L710-F723 HydrophobicContact CB-CB 3.93Å; L710-F723 HydrophobicContact CB-CG 4.27Å |
| 711 | V | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.9 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | L703 K704 V718 H719 V720 L745 L754 | L703-V711 WeakPolarHBondContact CA-O 3.42Å; K704-V711 HydrophobicContact CB-CB 4.09Å; K704-V711 PolarHBondContact N-O 3.47Å; K704-V711 PolarHBondContact O-N 2.92Å; V711-V718 HydrophobicContact CG1-CG1 3.47Å; V711-V718 VanDerWaalsContact CG1-CG1 3.47Å; V711-H719 CarbonylContact C-O 3.55Å; V711-H719 VanDerWaalsContact CA-O 3.29Å; V711-H719 WeakPolarHBondContact CA-O 3.49Å; V711-V720 HydrophobicContact CG1-CG2 4.5Å; V711-V720 HydrophobicContact CG2-CG1 4.38Å; V711-V720 HydrophobicContact CG2-CG2 4.27Å; V711-L745 HydrophobicContact CG2-CD2 4.12Å; V711-L754 HydrophobicContact CG1-CD1 4.08Å; V711-L754 HydrophobicContact CG1-CD2 4.43Å; V711-L754 HydrophobicContact CG2-CD1 4.22Å |
| 712 | V | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.9 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V680 F696 V700 L703 L710 H719 F721 | V680-V712 HydrophobicContact CG2-CG1 4.05Å; V680-V712 HydrophobicContact CG2-CG2 4.03Å; F696-V712 HydrophobicContact CD1-CG1 4.49Å; F696-V712 HydrophobicContact CD2-CG1 4.09Å; F696-V712 HydrophobicContact CE1-CB 4.09Å; F696-V712 HydrophobicContact CE1-CG1 4.05Å; F696-V712 HydrophobicContact CE1-CG2 4.5Å; F696-V712 HydrophobicContact CE2-CB 4.09Å; F696-V712 HydrophobicContact CE2-CG1 3.63Å; F696-V712 HydrophobicContact CE2-CG2 3.95Å; F696-V712 HydrophobicContact CZ-CB 3.6Å; F696-V712 HydrophobicContact CZ-CG1 3.6Å; F696-V712 HydrophobicContact CZ-CG2 3.58Å; V700-V712 HydrophobicContact CB-CG1 4.37Å; V700-V712 HydrophobicContact CG1-CG1 3.59Å; V700-V712 HydrophobicContact CG2-CG1 3.92Å; L703-V712 HydrophobicContact CD2-CB 4.25Å; L703-V712 HydrophobicContact CD2-CG1 4.02Å; L703-V712 HydrophobicContact CD2-CG2 3.8Å; L710-V712 HydrophobicContact CG-CG2 4.22Å; V712-H719 HydrophobicContact CB-CB 4.5Å; V712-H719 PolarHBondContact N-O 3.27Å; V712-H719 PolarHBondContact O-N 3.37Å; V712-F721 HydrophobicContact CG2-CD2 4.36Å; V712-F721 HydrophobicContact CG2-CE2 4.16Å |
| 713 | V | 96.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.7 | -177 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | L701 S702 V718 N738 C743 | L701-V713 PolarHBondContact N-O 2.99Å; S702-V713 PolarHBondContact N-O 2.86Å; S702-V713 PolarHBondContact O-N 3.29Å; V713-V718 HydrophobicContact CG1-CG2 4.29Å; V713-V718 HydrophobicContact CG2-CG1 4.33Å; V713-N738 WeakPolarHBondContact CG1-ND2 3.24Å; V713-C743 HydrophobicContact CG2-CB 3.54Å |
| 714 | L | 96.6 | Very high | 89 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | trans | -104.9 | 176.2 | 168.6 | -54.8 | -179.2 | 0 | 0 | 0 | 109.2 | F696 S698 E699 V700 K716 Q717 H719 | F696-L714 HydrophobicContact CB-CD1 4.31Å; F696-L714 HydrophobicContact CB-CD2 4.09Å; F696-L714 HydrophobicContact CD1-CD1 4.08Å; F696-L714 HydrophobicContact CD1-CD2 4.41Å; F696-L714 HydrophobicContact CG-CD2 4.26Å; S698-L714 WeakPolarHBondContact O-CD2 3.15Å; S698-L714 WeakPolarHBondContact OG-CD1 3.45Å; E699-L714 VanDerWaalsContact O-CD2 3.3Å; E699-L714 WeakPolarHBondContact O-CD2 3.27Å; V700-L714 HydrophobicContact CG2-CD2 4.19Å; L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 2.67Å; L714-Q717 WeakPolarHBondContact CA-O 3.19Å; L714-Q717 PolarHBondContact N-O 2.98Å; L714-H719 VanDerWaalsContact CD1-NE2 3.3Å; L714-H719 WeakPolarHBondContact CD1-NE2 3.34Å | ||
| 715 | R | 95.4 | Very high | 88.4 | Confident | 110 Ų | 110 | 26.7 Ų | 26.7 | 42% | 0.415 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -57.2 | -36.5 | -177.7 | -174.1 | 171.1 | -71.6 | -92.7 | -1.9 | 114.7 | L701 E737 N738 | L701-R715 HydrophobicContact CD1-CB 4.01Å; R715-E737 WeakPolarHBondContact CG-OE2 3.48Å; R715-N738 WeakPolarHBondContact O-CB 3.43Å; R715-N738 PolarHBondContact O-N 3.08Å |
| 716 | K | 95.2 | Very high | 88.2 | Confident | 122 Ų | 122 | 32 Ų | 32 | 53% | 0.53 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -124.8 | -1.2 | -177.9 | -68 | -176 | 175.7 | 179.1 | 0 | 114.2 | L714 T735 E737 | L714-K716 VanDerWaalsContact C-N 3.3Å; L714-K716 PolarHBondContact O-N 2.67Å; K716-T735 WeakPolarHBondContact O-CG2 3.41Å; K716-T735 PolarHBondContact O-N 2.93Å; K716-E737 WeakPolarHBondContact CE-OE1 3.41Å; K716-E737 IonicContact NZ-OE1 3.2Å; K716-E737 PolarHBondContact NZ-OE1 3.27Å |
| 717 | Q | 94.9 | Very high | 88.5 | Confident | 74 Ų | 74 | 32.8 Ų | 32.8 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145 | -172.3 | -65.4 | -173.7 | -9.6 | 0 | 0 | 111.4 | L714 H719 L733 | L714-Q717 WeakPolarHBondContact CA-O 3.19Å; L714-Q717 PolarHBondContact N-O 2.98Å; Q717-H719 PolarHBondContact OE1-CE1 2.95Å; Q717-H719 VanDerWaalsContact OE1-CE1 3.24Å; Q717-H719 PolarHBondContact OE1-NE2 3.15Å; Q717-L733 CarbonylContact C-O 3.42Å; Q717-L733 WeakPolarHBondContact CA-O 3.49Å |
| 718 | V | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 114 | 171.3 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | V711 V713 L733 T735 L754 F756 | V711-V718 HydrophobicContact CG1-CG1 3.47Å; V711-V718 VanDerWaalsContact CG1-CG1 3.47Å; V713-V718 HydrophobicContact CG1-CG2 4.29Å; V713-V718 HydrophobicContact CG2-CG1 4.33Å; V718-L733 HydrophobicContact CB-CB 4.38Å; V718-L733 PolarHBondContact N-O 3.41Å; V718-L733 PolarHBondContact O-N 2.91Å; V718-T735 HydrophobicContact CG2-CG2 4.16Å; V718-L754 HydrophobicContact CG1-CD2 3.95Å; V718-F756 HydrophobicContact CG2-CB 4.27Å; V718-F756 HydrophobicContact CG2-CD2 4.34Å; V718-F756 HydrophobicContact CG2-CG 4.17Å |
| 719 | H | 95.1 | Very high | 89.9 | Confident | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.7 | 179 | -61.5 | -75.5 | 0 | 0 | 0 | 110.6 | F696 V711 V712 L714 Q717 F721 S732 | F696-H719 AromaticContact CD1-CD2 3.72Å; F696-H719 HydrophobicContact CE1-CB 4.01Å; F696-H719 AromaticContact CE1-CD2 3.55Å; F696-H719 AromaticContact CE1-CG 3.83Å; V711-H719 CarbonylContact C-O 3.55Å; V711-H719 VanDerWaalsContact CA-O 3.29Å; V711-H719 WeakPolarHBondContact CA-O 3.49Å; V712-H719 HydrophobicContact CB-CB 4.5Å; V712-H719 PolarHBondContact N-O 3.27Å; V712-H719 PolarHBondContact O-N 3.37Å; L714-H719 VanDerWaalsContact CD1-NE2 3.3Å; L714-H719 WeakPolarHBondContact CD1-NE2 3.34Å; Q717-H719 PolarHBondContact OE1-CE1 2.95Å; Q717-H719 VanDerWaalsContact OE1-CE1 3.24Å; Q717-H719 PolarHBondContact OE1-NE2 3.15Å; H719-F721 HydrophobicContact CB-CD2 4.33Å; H719-F721 HydrophobicContact CB-CE2 3.52Å; H719-F721 HydrophobicContact CB-CZ 4.19Å; H719-S732 PolarHBondContact CE1-OG 2.87Å; H719-S732 PolarHBondContact ND1-OG 3.48Å |
| 720 | V | 93.4 | Very high | 90 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.6 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | K709 V711 L730 V731 L754 L769 | K709-V720 HydrophobicContact CB-CG1 4.27Å; K709-V720 HydrophobicContact CD-CG1 3.78Å; K709-V720 HydrophobicContact CG-CG1 4.25Å; V711-V720 HydrophobicContact CG1-CG2 4.5Å; V711-V720 HydrophobicContact CG2-CG1 4.38Å; V711-V720 HydrophobicContact CG2-CG2 4.27Å; V720-L730 HydrophobicContact CG1-CD1 4.39Å; V720-L730 WeakPolarHBondContact O-CA 3.36Å; V720-L730 WeakPolarHBondContact O-CB 3.42Å; V720-L730 PolarHBondContact O-N 3.31Å; V720-V731 HydrophobicContact CB-CG1 3.65Å; V720-V731 HydrophobicContact CG2-CG1 3.74Å; V720-V731 PolarHBondContact N-O 2.93Å; V720-V731 PolarHBondContact O-N 2.93Å; V720-L754 HydrophobicContact CG2-CD2 3.92Å; V720-L769 HydrophobicContact CG1-CD1 4.09Å; V720-L769 HydrophobicContact CG1-CD2 4.36Å; V720-L769 HydrophobicContact CG2-CD2 3.97Å |
| 721 | F | 92.2 | Very high | 89.9 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 153.3 | 178.7 | -62.7 | -101.1 | 0 | 0 | 0 | 110.4 | V694 F696 K709 L710 V712 H719 P727 T728 K729 | V694-F721 HydrophobicContact CG1-CD1 4.42Å; V694-F721 HydrophobicContact CG1-CE1 3.66Å; V694-F721 HydrophobicContact CG1-CE2 4.26Å; V694-F721 HydrophobicContact CG1-CZ 3.57Å; F696-F721 AromaticContact CE1-CE2 3.82Å; F696-F721 HydrophobicContact CE1-CE2 3.82Å; F696-F721 AromaticContact CE1-CZ 3.75Å; F696-F721 HydrophobicContact CE1-CZ 3.75Å; F696-F721 AromaticContact CZ-CE2 3.53Å; F696-F721 HydrophobicContact CZ-CE2 3.53Å; F696-F721 AromaticContact CZ-CZ 3.6Å; F696-F721 HydrophobicContact CZ-CZ 3.6Å; K709-F721 VanDerWaalsContact CA-O 3.24Å; K709-F721 WeakPolarHBondContact CA-O 2.97Å; L710-F721 HydrophobicContact CB-CB 4.23Å; L710-F721 PolarHBondContact N-O 2.99Å; L710-F721 PolarHBondContact O-N 2.93Å; V712-F721 HydrophobicContact CG2-CD2 4.36Å; V712-F721 HydrophobicContact CG2-CE2 4.16Å; H719-F721 HydrophobicContact CB-CD2 4.33Å; H719-F721 HydrophobicContact CB-CE2 3.52Å; H719-F721 HydrophobicContact CB-CZ 4.19Å; F721-P727 HydrophobicContact CB-CB 4.2Å; F721-P727 HydrophobicContact CD1-CB 4.14Å; F721-P727 HydrophobicContact CG-CB 4.42Å; F721-T728 CarbonylContact C-O 3.57Å; F721-T728 WeakPolarHBondContact CA-O 2.84Å; F721-K729 HydrophobicContact CD1-CB 3.95Å; F721-K729 HydrophobicContact CE1-CB 3.7Å; F721-K729 HydrophobicContact CE1-CG 4.2Å; F721-K729 HydrophobicContact CZ-CB 4.39Å; F721-K729 HydrophobicContact CZ-CG 4.41Å |
| 722 | S | 86.7 | Confident | 89.9 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 138 | 165.7 | 78.6 | 0 | 0 | 0 | 0 | 109.8 | P727 T728 | S722-P727 WeakPolarHBondContact O-CA 3.24Å; S722-T728 PolarHBondContact N-O 3.05Å; S722-T728 PolarHBondContact OG-OG1 3.01Å |
| 723 | F | 82.5 | Confident | 89.7 | Confident | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | trans | -160.8 | 148.9 | 179 | -169.6 | -101.6 | 0 | 0 | 0 | 108.6 | L658 L663 I682 M705 A708 K709 L710 P727 | L658-F723 HydrophobicContact CD2-CD1 4.26Å; L658-F723 HydrophobicContact CD2-CE1 3.79Å; L663-F723 HydrophobicContact CB-CE1 4.41Å; L663-F723 HydrophobicContact CB-CZ 4.14Å; L663-F723 HydrophobicContact CD1-CE1 3.85Å; L663-F723 HydrophobicContact CD1-CZ 3.6Å; L663-F723 HydrophobicContact CG-CZ 4.36Å; I682-F723 HydrophobicContact CG2-CE2 4.03Å; I682-F723 HydrophobicContact CG2-CZ 4.03Å; M705-F723 HydrophobicContact CE-CD1 3.54Å; M705-F723 HydrophobicContact CE-CE1 3.08Å; M705-F723 HydrophobicContact CE-CE2 4.46Å; M705-F723 HydrophobicContact CE-CG 4.38Å; M705-F723 HydrophobicContact CE-CZ 3.61Å; A708-F723 CarbonylContact C-O 3.45Å; A708-F723 WeakPolarHBondContact CA-O 3.23Å; A708-F723 PolarHBondContact N-O 3.28Å; A708-F723 PolarHBondContact O-N 2.91Å; K709-F723 PolarHBondContact N-O 3.01Å; L710-F723 HydrophobicContact CB-CB 3.93Å; L710-F723 HydrophobicContact CB-CG 4.27Å; F723-P727 HydrophobicContact CD2-CG 4.48Å | ||
| 724 | P | 69.8 | Low | 89.5 | Confident | 52 Ų | 52 | 54 Ų | 54 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | S | Bend | cis | -81.5 | 148.4 | 0.2 | 29.1 | -30.5 | 0 | 0 | 0 | 114.2 | H509 L663 Y707 | H509-P724 VanDerWaalsContact ND1-CG 3.29Å; H509-P724 WeakPolarHBondContact ND1-CG 3.48Å; L663-P724 HydrophobicContact CD1-CB 3.87Å; Y707-P724 WeakPolarHBondContact O-CD 3.25Å |
| 725 | G | 77.5 | Confident | 89.3 | Confident | 50 Ų | 50 | 54.5 Ų | 54.5 | 52% | 0.515 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 139.1 | -165.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P727 | G725-P727 VanDerWaalsContact O-CD 3.29Å; G725-P727 WeakPolarHBondContact O-CD 2.98Å |
| 726 | T | 81.8 | Confident | 89.2 | Confident | 119 Ų | 119 | 53.8 Ų | 53.8 | 73% | 0.73 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -63.9 | 120.2 | 165.7 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | T728 | T726-T728 PolarHBondContact O-N 3.14Å; T726-T728 VanDerWaalsContact O-N 3.12Å |
| 727 | P | 88.6 | Confident | 89.1 | Confident | 21 Ų | 21 | 52 Ų | 52 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | trans | -60.9 | 116.4 | -178.4 | -23.9 | 34.6 | 0 | 0 | 0 | 111.5 | A692 V694 F721 S722 F723 G725 | A692-P727 HydrophobicContact CB-CG 3.91Å; V694-P727 HydrophobicContact CG2-CB 3.71Å; V694-P727 HydrophobicContact CG2-CG 3.8Å; F721-P727 HydrophobicContact CB-CB 4.2Å; F721-P727 HydrophobicContact CD1-CB 4.14Å; F721-P727 HydrophobicContact CG-CB 4.42Å; S722-P727 WeakPolarHBondContact O-CA 3.24Å; F723-P727 HydrophobicContact CD2-CG 4.48Å; G725-P727 VanDerWaalsContact O-CD 3.29Å; G725-P727 WeakPolarHBondContact O-CD 2.98Å | ||
| 728 | T | 88.8 | Confident | 89.1 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.2 | 173 | 64 | 0 | 0 | 0 | 0 | 110.3 | F721 S722 T726 L730 | F721-T728 CarbonylContact C-O 3.57Å; F721-T728 WeakPolarHBondContact CA-O 2.84Å; S722-T728 PolarHBondContact N-O 3.05Å; S722-T728 PolarHBondContact OG-OG1 3.01Å; T726-T728 PolarHBondContact O-N 3.14Å; T726-T728 VanDerWaalsContact O-N 3.12Å; T728-L730 PolarHBondContact O-N 2.79Å |
| 729 | K | 91.1 | Very high | 88.9 | Confident | 125 Ų | 125 | 51.4 Ų | 51.4 | 54% | 0.543 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 122.2 | -178.9 | -173 | 176.5 | 175.7 | 177.8 | 0 | 110 | F721 S732 | F721-K729 HydrophobicContact CD1-CB 3.95Å; F721-K729 HydrophobicContact CE1-CB 3.7Å; F721-K729 HydrophobicContact CE1-CG 4.2Å; F721-K729 HydrophobicContact CZ-CB 4.39Å; F721-K729 HydrophobicContact CZ-CG 4.41Å; K729-S732 WeakPolarHBondContact CE-OG 3.4Å; K729-S732 PolarHBondContact NZ-OG 3.12Å |
| 730 | L | 88.4 | Confident | 88.7 | Confident | 92 Ų | 92 | 57.1 Ų | 57.1 | 48% | 0.482 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -49.3 | 177.9 | -63 | 176.7 | 0 | 0 | 0 | 111.4 | K709 V720 T728 | K709-L730 HydrophobicContact CD-CD1 3.49Å; K709-L730 VanDerWaalsContact CD-CD1 3.49Å; K709-L730 VanDerWaalsContact CE-CD1 3.44Å; V720-L730 HydrophobicContact CG1-CD1 4.39Å; V720-L730 WeakPolarHBondContact O-CA 3.36Å; V720-L730 WeakPolarHBondContact O-CB 3.42Å; V720-L730 PolarHBondContact O-N 3.31Å; T728-L730 PolarHBondContact O-N 2.79Å |
| 731 | V | 90.2 | Very high | 88.7 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 21% | 0.212 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 152.3 | -178.5 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | V720 L733 L772 | V720-V731 HydrophobicContact CB-CG1 3.65Å; V720-V731 HydrophobicContact CG2-CG1 3.74Å; V720-V731 PolarHBondContact N-O 2.93Å; V720-V731 PolarHBondContact O-N 2.93Å; V731-L733 HydrophobicContact CG1-CD2 4.42Å; V731-L733 HydrophobicContact CG1-CG 4.29Å; V731-L733 HydrophobicContact CG2-CD2 3.76Å; V731-L733 HydrophobicContact CG2-CG 4.28Å; V731-L772 HydrophobicContact CB-CD1 4.46Å; V731-L772 HydrophobicContact CG1-CD1 3.86Å; V731-L772 HydrophobicContact CG2-CD1 4.36Å |
| 732 | S | 92 | Very high | 88.8 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 34% | 0.336 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 123.4 | 164 | -87.1 | 0 | 0 | 0 | 0 | 108.1 | H719 K729 | H719-S732 PolarHBondContact CE1-OG 2.87Å; H719-S732 PolarHBondContact ND1-OG 3.48Å; K729-S732 WeakPolarHBondContact CE-OG 3.4Å; K729-S732 PolarHBondContact NZ-OG 3.12Å |
| 733 | L | 92 | Very high | 89.1 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.2 | 175.2 | -56.4 | 173.7 | 0 | 0 | 0 | 108.8 | Q717 V718 V731 L754 F756 T767 L772 | Q717-L733 CarbonylContact C-O 3.42Å; Q717-L733 WeakPolarHBondContact CA-O 3.49Å; V718-L733 HydrophobicContact CB-CB 4.38Å; V718-L733 PolarHBondContact N-O 3.41Å; V718-L733 PolarHBondContact O-N 2.91Å; V731-L733 HydrophobicContact CG1-CD2 4.42Å; V731-L733 HydrophobicContact CG1-CG 4.29Å; V731-L733 HydrophobicContact CG2-CD2 3.76Å; V731-L733 HydrophobicContact CG2-CG 4.28Å; L733-L754 HydrophobicContact CD1-CD2 3.75Å; L733-F756 HydrophobicContact CB-CE1 4.44Å; L733-F756 HydrophobicContact CB-CE2 4.47Å; L733-F756 HydrophobicContact CB-CZ 3.89Å; L733-F756 HydrophobicContact CD1-CE1 3.62Å; L733-F756 HydrophobicContact CD1-CZ 3.81Å; L733-F756 HydrophobicContact CG-CZ 4.43Å; L733-T767 HydrophobicContact CD1-CG2 4.12Å; L733-L772 HydrophobicContact CD2-CD1 4.36Å |
| 734 | E | 92.2 | Very high | 89.6 | Confident | 122 Ų | 122 | 56 Ų | 56 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 141.1 | 174 | -65.2 | -176.8 | 168.7 | 0 | 0 | 110.4 | F756 | E734-F756 WeakPolarHBondContact O-CE2 3.24Å |
| 735 | T | 92.9 | Very high | 90.5 | Very high | 12 Ų | 12 | 54.2 Ų | 54.2 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -128.1 | 156.7 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 109 | K716 V718 N738 P757 | K716-T735 WeakPolarHBondContact O-CG2 3.41Å; K716-T735 PolarHBondContact O-N 2.93Å; V718-T735 HydrophobicContact CG2-CG2 4.16Å; T735-N738 HydrophobicContact CG2-CB 4.17Å; T735-P757 PolarHBondContact OG1-O 3.05Å; T735-P757 VanDerWaalsContact OG1-O 3.08Å | ||
| 736 | R | 92.4 | Very high | 91 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -56.1 | 164.6 | 160.1 | 171.1 | 172.8 | -100.3 | -93 | -5.3 | 109.9 | N738 G758 Y759 T761 E789 | R736-N738 PolarHBondContact O-N 3.13Å; R736-G758 WeakPolarHBondContact CB-O 3.47Å; R736-Y759 PolarHBondContact NE-O 3.22Å; R736-T761 PolarHBondContact NH1-OG1 3.48Å; R736-E789 IonicContact NH1-OE1 3.26Å; R736-E789 PolarHBondContact NH1-OE1 2.9Å |
| 737 | E | 93.2 | Very high | 90.5 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 39% | 0.393 | 24% | 0.244 | S | C | . | . | trans | -38.4 | 113.3 | 167.6 | -74.3 | -65.9 | 157.7 | 0 | 0 | 111 | R715 K716 P739 | R715-E737 WeakPolarHBondContact CG-OE2 3.48Å; K716-E737 WeakPolarHBondContact CE-OE1 3.41Å; K716-E737 IonicContact NZ-OE1 3.2Å; K716-E737 PolarHBondContact NZ-OE1 3.27Å; E737-P739 VanDerWaalsContact C-CD 3.41Å; E737-P739 WeakPolarHBondContact O-CD 3.35Å | ||
| 738 | N | 95.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | trans | -124.9 | 66.2 | -175.7 | -171.8 | 12.2 | 0 | 0 | 0 | 109.6 | L701 V713 R715 T735 R736 H740 G741 L742 P757 | L701-N738 WeakPolarHBondContact CD1-O 3.3Å; V713-N738 WeakPolarHBondContact CG1-ND2 3.24Å; R715-N738 WeakPolarHBondContact O-CB 3.43Å; R715-N738 PolarHBondContact O-N 3.08Å; T735-N738 HydrophobicContact CG2-CB 4.17Å; R736-N738 PolarHBondContact O-N 3.13Å; N738-H740 PolarHBondContact O-N 3.17Å; N738-G741 PolarHBondContact O-N 3.2Å; N738-G741 VanDerWaalsContact O-N 3.11Å; N738-G741 PolarHBondContact OD1-N 3.28Å; N738-L742 PolarHBondContact ND2-N 2.99Å; N738-L742 PolarHBondContact ND2-O 3.12Å; N738-L742 WeakPolarHBondContact OD1-CB 3.48Å; N738-L742 PolarHBondContact OD1-N 2.93Å; N738-P757 HydrophobicContact CB-CG 4.47Å | ||
| 739 | P | 92.2 | Very high | 88.4 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.3 | -173.3 | 26.4 | -35.6 | 0 | 0 | 0 | 113.4 | E737 | E737-P739 VanDerWaalsContact C-CD 3.41Å; E737-P739 WeakPolarHBondContact O-CD 3.35Å |
| 740 | H | 90.3 | Very high | 87.1 | Confident | 128 Ų | 128 | 42.8 Ų | 42.8 | 59% | 0.593 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 5.7 | 179.6 | -59.5 | -62.3 | 0 | 0 | 0 | 113.5 | N738 L742 | N738-H740 PolarHBondContact O-N 3.17Å; H740-L742 VanDerWaalsContact C-N 3.25Å; H740-L742 HydrophobicContact CB-CD2 4Å; H740-L742 HydrophobicContact CB-CG 4.13Å; H740-L742 PolarHBondContact O-N 2.75Å |
| 741 | G | 92.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | 59.8 | 33.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S702 N738 C743 | S702-G741 WeakPolarHBondContact CB-O 3.2Å; S702-G741 PolarHBondContact OG-O 3.35Å; N738-G741 PolarHBondContact O-N 3.2Å; N738-G741 VanDerWaalsContact O-N 3.11Å; N738-G741 PolarHBondContact OD1-N 3.28Å; G741-C743 PolarHBondContact O-N 3.36Å | ||
| 742 | L | 94 | Very high | 85.7 | Confident | 23 Ų | 23 | 41.2 Ų | 41.2 | 12% | 0.12 | 21% | 0.214 | C | C | . | . | trans | -61.1 | 121 | -177.7 | -58.9 | -177.1 | 0 | 0 | 0 | 110.7 | N738 H740 P757 L790 A791 I793 | N738-L742 PolarHBondContact ND2-N 2.99Å; N738-L742 PolarHBondContact ND2-O 3.12Å; N738-L742 WeakPolarHBondContact OD1-CB 3.48Å; N738-L742 PolarHBondContact OD1-N 2.93Å; H740-L742 VanDerWaalsContact C-N 3.25Å; H740-L742 HydrophobicContact CB-CD2 4Å; H740-L742 HydrophobicContact CB-CG 4.13Å; H740-L742 PolarHBondContact O-N 2.75Å; L742-P757 HydrophobicContact CB-CG 3.94Å; L742-P757 HydrophobicContact CD1-CG 4.36Å; L742-P757 VanDerWaalsContact O-CD 3.24Å; L742-P757 WeakPolarHBondContact O-CD 3.32Å; L742-L790 HydrophobicContact CD1-CB 3.85Å; L742-L790 VanDerWaalsContact CD1-O 3.24Å; L742-L790 WeakPolarHBondContact CD1-O 3.37Å; L742-A791 VanDerWaalsContact CD2-O 3.31Å; L742-A791 WeakPolarHBondContact CD2-O 3.24Å; L742-I793 HydrophobicContact CB-CD1 3.97Å; L742-I793 HydrophobicContact CB-CG1 4.39Å | ||
| 743 | C | 93.6 | Very high | 85.6 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | trans | -161.8 | 142.7 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | K704 V713 G741 L754 A755 | K704-C743 WeakPolarHBondContact CE-O 3.33Å; K704-C743 HydrophobicContact CG-CB 4.49Å; V713-C743 HydrophobicContact CG2-CB 3.54Å; G741-C743 PolarHBondContact O-N 3.36Å; C743-L754 WeakPolarHBondContact SG-CD1 3.23Å; C743-A755 CarbonylContact C-O 3.55Å; C743-A755 VanDerWaalsContact CA-O 3.3Å; C743-A755 WeakPolarHBondContact CA-O 3.44Å | ||
| 744 | A | 92.3 | Very high | 85.6 | Confident | 6 Ų | 6 | 39.8 Ų | 39.8 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 136.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A755 I793 L795 | A744-A755 HydrophobicContact CB-CB 4.3Å; A744-A755 PolarHBondContact N-O 2.86Å; A744-A755 PolarHBondContact O-N 2.79Å; A744-I793 HydrophobicContact CB-CG2 4.09Å; A744-L795 HydrophobicContact CB-CB 4.32Å; A744-L795 HydrophobicContact CB-CD1 4.29Å; A744-L795 HydrophobicContact CB-CG 4Å |
| 745 | L | 89.8 | Confident | 85.7 | Confident | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.5 | 179.6 | -179.3 | 64 | 0 | 0 | 0 | 108.7 | K704 V711 L754 L769 | K704-L745 HydrophobicContact CB-CB 4.1Å; K704-L745 HydrophobicContact CB-CD2 4.16Å; V711-L745 HydrophobicContact CG2-CD2 4.12Å; L745-L754 HydrophobicContact CB-CD1 4.34Å; L745-L754 HydrophobicContact CD1-CD1 4.01Å; L745-L769 HydrophobicContact CD1-CD1 3.86Å |
| 746 | S | 86.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -76.5 | 139.1 | 172.1 | 67.3 | 0 | 0 | 0 | 0 | 110.5 | D748 M751 Y753 | S746-D748 VanDerWaalsContact C-N 3.33Å; S746-M751 PolarHBondContact OG-O 3.48Å; S746-M751 VanDerWaalsContact OG-O 3.13Å; S746-Y753 PolarHBondContact N-O 2.88Å; S746-Y753 PolarHBondContact OG-N 2.83Å; S746-Y753 PolarHBondContact OG-O 2.89Å | ||
| 747 | A | 72.7 | Confident | 86 | Confident | 18 Ų | 18 | 29.3 Ų | 29.3 | 15% | 0.149 | 16% | 0.156 | C | C | . | . | trans | -82.2 | -7.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | K617 L749 C797 | K617-A747 HydrophobicContact CD-CB 4.3Å; A747-L749 PolarHBondContact O-N 2.88Å; A747-C797 PolarHBondContact N-O 2.8Å | ||
| 748 | D | 71.4 | Confident | 86 | Confident | 40 Ų | 40 | 25.4 Ų | 25.4 | 21% | 0.214 | 14% | 0.137 | C | C | . | . | trans | -69.8 | 128 | -177 | -177.7 | 22.6 | 0 | 0 | 0 | 112.9 | S746 T750 M751 C797 | S746-D748 VanDerWaalsContact C-N 3.33Å; D748-T750 VanDerWaalsContact C-N 3.26Å; D748-T750 PolarHBondContact O-N 2.84Å; D748-T750 PolarHBondContact OD1-N 2.83Å; D748-T750 PolarHBondContact OD2-OG1 3.38Å; D748-M751 CarbonylContact O-C 3.56Å; D748-M751 PolarHBondContact OD2-N 3.21Å; D748-C797 WeakPolarHBondContact CB-O 3.4Å; D748-C797 PolarHBondContact N-O 2.96Å | ||
| 749 | L | 61.8 | Low | 85.8 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 12% | 0.115 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -77.2 | -7.9 | 176 | -72.2 | 170.5 | 0 | 0 | 0 | 112.7 | A747 K770 | A747-L749 PolarHBondContact O-N 2.88Å; L749-K770 VanDerWaalsContact O-CE 3.27Å; L749-K770 WeakPolarHBondContact O-CE 3.28Å; L749-K770 PolarHBondContact O-NZ 2.69Å |
| 750 | T | 64.1 | Low | 85.8 | Confident | 67 Ų | 67 | 36.4 Ų | 36.4 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -85.7 | -45.5 | 173.8 | 81.7 | 0 | 0 | 0 | 0 | 111.8 | T459 D748 K770 | T459-T750 HydrophobicContact CG2-CG2 3.83Å; D748-T750 VanDerWaalsContact C-N 3.26Å; D748-T750 PolarHBondContact O-N 2.84Å; D748-T750 PolarHBondContact OD1-N 2.83Å; D748-T750 PolarHBondContact OD2-OG1 3.38Å; T750-K770 WeakPolarHBondContact O-CD 3.37Å; T750-K770 WeakPolarHBondContact O-CE 3.41Å; T750-K770 PolarHBondContact O-NZ 3.34Å |
| 751 | M | 68.6 | Low | 86 | Confident | 85 Ų | 85 | 32.8 Ų | 32.8 | 42% | 0.419 | 16% | 0.159 | S | C | . | . | trans | -132 | 114.7 | 176.3 | -67.1 | -66.5 | -152.4 | 0 | 0 | 109.9 | S746 D748 Y753 N768 | S746-M751 PolarHBondContact OG-O 3.48Å; S746-M751 VanDerWaalsContact OG-O 3.13Å; D748-M751 CarbonylContact O-C 3.56Å; D748-M751 PolarHBondContact OD2-N 3.21Å; M751-Y753 HydrophobicContact CB-CD2 4.06Å; M751-Y753 HydrophobicContact CB-CE2 3.86Å; M751-Y753 HydrophobicContact CG-CE2 4.44Å; M751-Y753 PolarHBondContact O-N 2.83Å; M751-N768 PolarHBondContact SD-ND2 2.88Å | ||
| 752 | E | 80.3 | Confident | 86 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -95.3 | 90.4 | 177.9 | -72.1 | 173.7 | -151.4 | 0 | 0 | 109.1 | K709 N768 L769 K770 | K709-E752 WeakPolarHBondContact CE-OE2 3.42Å; K709-E752 VanDerWaalsContact CG-OE2 3.28Å; K709-E752 WeakPolarHBondContact CG-OE2 3.33Å; K709-E752 IonicContact NZ-OE1 3.71Å; K709-E752 IonicContact NZ-OE2 2.92Å; K709-E752 PolarHBondContact NZ-OE2 2.98Å; E752-N768 CarbonylContact O-C 3.53Å; E752-N768 WeakPolarHBondContact O-CA 3.4Å; E752-L769 HydrophobicContact CB-CB 4.09Å; E752-L769 PolarHBondContact O-N 2.84Å; E752-K770 HydrophobicContact CB-CG 4.39Å | ||
| 753 | Y | 89 | Confident | 86.1 | Confident | 37 Ų | 37 | 31.8 Ų | 31.8 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.7 | 172.4 | -78 | -78.4 | 0 | 0 | 0 | 111.4 | S746 M751 T767 N768 L795 | S746-Y753 PolarHBondContact N-O 2.88Å; S746-Y753 PolarHBondContact OG-N 2.83Å; S746-Y753 PolarHBondContact OG-O 2.89Å; M751-Y753 HydrophobicContact CB-CD2 4.06Å; M751-Y753 HydrophobicContact CB-CE2 3.86Å; M751-Y753 HydrophobicContact CG-CE2 4.44Å; M751-Y753 PolarHBondContact O-N 2.83Å; Y753-T767 WeakPolarHBondContact CA-O 3.41Å; Y753-N768 HydrophobicContact CD1-CB 4.4Å; Y753-N768 HydrophobicContact CE1-CB 4.15Å; Y753-L795 WeakPolarHBondContact O-CD1 3.49Å |
| 754 | L | 92.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.5 | 169.2 | -174.1 | 67.6 | 0 | 0 | 0 | 108.4 | V711 V718 V720 L733 C743 L745 F756 L766 T767 L769 | V711-L754 HydrophobicContact CG1-CD1 4.08Å; V711-L754 HydrophobicContact CG1-CD2 4.43Å; V711-L754 HydrophobicContact CG2-CD1 4.22Å; V718-L754 HydrophobicContact CG1-CD2 3.95Å; V720-L754 HydrophobicContact CG2-CD2 3.92Å; L733-L754 HydrophobicContact CD1-CD2 3.75Å; C743-L754 WeakPolarHBondContact SG-CD1 3.23Å; L745-L754 HydrophobicContact CB-CD1 4.34Å; L745-L754 HydrophobicContact CD1-CD1 4.01Å; L754-F756 HydrophobicContact CD2-CD1 4.2Å; L754-F756 HydrophobicContact CD2-CE1 4.2Å; L754-F756 HydrophobicContact CG-CD1 4.02Å; L754-F756 HydrophobicContact CG-CE1 4.33Å; L754-L766 CarbonylContact O-C 3.48Å; L754-L766 WeakPolarHBondContact O-CA 3.19Å; L754-T767 PolarHBondContact N-O 3.3Å; L754-T767 PolarHBondContact O-N 3.42Å; L754-L769 HydrophobicContact CB-CD1 4.13Å; L754-L769 HydrophobicContact CB-CD2 4Å; L754-L769 HydrophobicContact CB-CG 4.01Å; L754-L769 HydrophobicContact CD2-CD2 3.95Å |
| 755 | A | 94.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 133.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | C743 A744 V764 Q765 L766 I793 L795 L802 | C743-A755 CarbonylContact C-O 3.55Å; C743-A755 VanDerWaalsContact CA-O 3.3Å; C743-A755 WeakPolarHBondContact CA-O 3.44Å; A744-A755 HydrophobicContact CB-CB 4.3Å; A744-A755 PolarHBondContact N-O 2.86Å; A744-A755 PolarHBondContact O-N 2.79Å; A755-V764 HydrophobicContact CB-CG1 3.97Å; A755-Q765 VanDerWaalsContact CA-O 3.31Å; A755-Q765 WeakPolarHBondContact CA-O 3.18Å; A755-L766 HydrophobicContact CB-CD2 3.61Å; A755-I793 HydrophobicContact CB-CG2 3.93Å; A755-L795 HydrophobicContact CB-CD1 3.92Å; A755-L795 HydrophobicContact CB-CD2 4.31Å; A755-L795 HydrophobicContact CB-CG 4.06Å; A755-L802 HydrophobicContact CB-CD1 4.06Å |
| 756 | F | 95.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 166.2 | 177.3 | 53.9 | -86.3 | 0 | 0 | 0 | 109.8 | V718 L733 E734 L754 G758 V764 Q765 | V718-F756 HydrophobicContact CG2-CB 4.27Å; V718-F756 HydrophobicContact CG2-CD2 4.34Å; V718-F756 HydrophobicContact CG2-CG 4.17Å; L733-F756 HydrophobicContact CB-CE1 4.44Å; L733-F756 HydrophobicContact CB-CE2 4.47Å; L733-F756 HydrophobicContact CB-CZ 3.89Å; L733-F756 HydrophobicContact CD1-CE1 3.62Å; L733-F756 HydrophobicContact CD1-CZ 3.81Å; L733-F756 HydrophobicContact CG-CZ 4.43Å; E734-F756 WeakPolarHBondContact O-CE2 3.24Å; L754-F756 HydrophobicContact CD2-CD1 4.2Å; L754-F756 HydrophobicContact CD2-CE1 4.2Å; L754-F756 HydrophobicContact CG-CD1 4.02Å; L754-F756 HydrophobicContact CG-CE1 4.33Å; F756-G758 PolarHBondContact O-N 2.9Å; F756-V764 CarbonylContact O-C 3.54Å; F756-V764 WeakPolarHBondContact O-CA 3.31Å; F756-Q765 HydrophobicContact CD2-CB 4.21Å; F756-Q765 HydrophobicContact CE1-CG 4.28Å; F756-Q765 HydrophobicContact CE2-CB 3.85Å; F756-Q765 HydrophobicContact CE2-CG 3.89Å; F756-Q765 HydrophobicContact CZ-CB 4.05Å; F756-Q765 HydrophobicContact CZ-CG 3.66Å; F756-Q765 PolarHBondContact N-O 3.12Å; F756-Q765 PolarHBondContact O-N 2.61Å |
| 757 | P | 96.2 | Very high | 86.6 | Confident | 10 Ų | 10 | 31.5 Ų | 31.5 | 7% | 0.065 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 131.6 | 177.4 | -27.3 | 36.1 | 0 | 0 | 0 | 112.5 | T735 N738 L742 I793 | T735-P757 PolarHBondContact OG1-O 3.05Å; T735-P757 VanDerWaalsContact OG1-O 3.08Å; N738-P757 HydrophobicContact CB-CG 4.47Å; L742-P757 HydrophobicContact CB-CG 3.94Å; L742-P757 HydrophobicContact CD1-CG 4.36Å; L742-P757 VanDerWaalsContact O-CD 3.24Å; L742-P757 WeakPolarHBondContact O-CD 3.32Å; P757-I793 HydrophobicContact CG-CD1 4.11Å |
| 758 | G | 92.7 | Very high | 87.3 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -84.2 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R736 F756 R760 S763 | R736-G758 WeakPolarHBondContact CB-O 3.47Å; F756-G758 PolarHBondContact O-N 2.9Å; G758-R760 VanDerWaalsContact C-N 3.34Å; G758-R760 PolarHBondContact O-N 3.11Å; G758-S763 WeakPolarHBondContact CA-OG 3.34Å; G758-S763 PolarHBondContact N-O 3.13Å | ||
| 759 | Y | 91 | Very high | 87.9 | Confident | 127 Ų | 127 | 30 Ų | 30 | 50% | 0.498 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -65.8 | -32.8 | -177.8 | -58.9 | -79.5 | 0 | 0 | 0 | 114.1 | R736 | R736-Y759 PolarHBondContact NE-O 3.22Š|
| 760 | R | 92.6 | Very high | 88.6 | Confident | 167 Ų | 167 | 32.6 Ų | 32.6 | 63% | 0.63 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -86.7 | 140.8 | 177 | -72.2 | -174.4 | -101.2 | -171.5 | -8.1 | 110.3 | G758 G762 S763 | G758-R760 VanDerWaalsContact C-N 3.34Å; G758-R760 PolarHBondContact O-N 3.11Å; R760-G762 PolarHBondContact O-N 2.96Å; R760-S763 PolarHBondContact N-OG 2.81Å; R760-S763 VanDerWaalsContact O-CB 3.29Å; R760-S763 WeakPolarHBondContact O-CB 3.48Å; R760-S763 PolarHBondContact O-N 3.21Å; R760-S763 PolarHBondContact O-OG 3.09Å |
| 761 | T | 93.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 33.4 Ų | 33.4 | 32% | 0.319 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 133.5 | 172.4 | -67.5 | 0 | 0 | 0 | 0 | 110.3 | R736 S763 E789 | R736-T761 PolarHBondContact NH1-OG1 3.48Å; T761-S763 PolarHBondContact O-N 3.45Å; T761-S763 VanDerWaalsContact O-N 3.15Å; T761-E789 HydrophobicContact CG2-CG 4.1Å; T761-E789 WeakPolarHBondContact CG2-OE1 3.24Å; T761-E789 PolarHBondContact OG1-OE1 2.85Å |
| 762 | G | 93.9 | Very high | 89 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 1.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | R760 A785 H786 S788 | R760-G762 PolarHBondContact O-N 2.96Å; G762-A785 WeakPolarHBondContact O-CA 3.43Å; G762-A785 WeakPolarHBondContact O-CB 3.27Å; G762-A785 PolarHBondContact O-N 2.59Å; G762-H786 CarbonylContact C-O 3.55Å; G762-H786 VanDerWaalsContact CA-O 3.27Å; G762-H786 WeakPolarHBondContact CA-O 3.39Å; G762-H786 PolarHBondContact O-N 3.23Å; G762-S788 WeakPolarHBondContact CA-O 3.37Å; G762-S788 PolarHBondContact N-O 2.83Å |
| 763 | S | 95.6 | Very high | 88.1 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 149 | 174.8 | 75.2 | 0 | 0 | 0 | 0 | 112.1 | G758 R760 T761 I783 L790 | G758-S763 WeakPolarHBondContact CA-OG 3.34Å; G758-S763 PolarHBondContact N-O 3.13Å; R760-S763 PolarHBondContact N-OG 2.81Å; R760-S763 VanDerWaalsContact O-CB 3.29Å; R760-S763 WeakPolarHBondContact O-CB 3.48Å; R760-S763 PolarHBondContact O-N 3.21Å; R760-S763 PolarHBondContact O-OG 3.09Å; T761-S763 PolarHBondContact O-N 3.45Å; T761-S763 VanDerWaalsContact O-N 3.15Å; S763-I783 CarbonylContact C-O 3.5Å; S763-I783 WeakPolarHBondContact CA-O 3.28Å; S763-L790 WeakPolarHBondContact O-CD1 3.02Å |
| 764 | V | 96 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.9 | 175.6 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | A755 F756 V782 I783 A785 L790 I793 L802 T804 | A755-V764 HydrophobicContact CB-CG1 3.97Å; F756-V764 CarbonylContact O-C 3.54Å; F756-V764 WeakPolarHBondContact O-CA 3.31Å; V764-V782 CarbonylContact O-C 3.58Å; V764-V782 WeakPolarHBondContact O-CA 3.14Å; V764-I783 PolarHBondContact N-O 3.31Å; V764-I783 PolarHBondContact O-N 3.49Å; V764-A785 HydrophobicContact CG2-CB 4.28Å; V764-L790 HydrophobicContact CG2-CD1 3.51Å; V764-I793 HydrophobicContact CG1-CG2 4.36Å; V764-I793 HydrophobicContact CG2-CD1 4.17Å; V764-I793 HydrophobicContact CG2-CG1 4.47Å; V764-L802 HydrophobicContact CB-CD2 4.06Å; V764-L802 HydrophobicContact CG1-CD1 4.31Å; V764-L802 HydrophobicContact CG1-CD2 3.85Å; V764-L802 HydrophobicContact CG2-CD2 4.36Å; V764-T804 HydrophobicContact CG2-CG2 3.8Å |
| 765 | Q | 94.3 | Very high | 84.3 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 126.9 | 170.7 | -177.8 | 162.7 | -31.4 | 0 | 0 | 109.9 | A755 F756 P780 | A755-Q765 VanDerWaalsContact CA-O 3.31Å; A755-Q765 WeakPolarHBondContact CA-O 3.18Å; F756-Q765 HydrophobicContact CD2-CB 4.21Å; F756-Q765 HydrophobicContact CE1-CG 4.28Å; F756-Q765 HydrophobicContact CE2-CB 3.85Å; F756-Q765 HydrophobicContact CE2-CG 3.89Å; F756-Q765 HydrophobicContact CZ-CB 4.05Å; F756-Q765 HydrophobicContact CZ-CG 3.66Å; F756-Q765 PolarHBondContact N-O 3.12Å; F756-Q765 PolarHBondContact O-N 2.61Å; Q765-P780 HydrophobicContact CG-CB 3.96Å |
| 766 | L | 92.4 | Very high | 82.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131 | 173.5 | -68.1 | 171.5 | 0 | 0 | 0 | 108.9 | L754 A755 S781 I783 L795 T817 | L754-L766 CarbonylContact O-C 3.48Å; L754-L766 WeakPolarHBondContact O-CA 3.19Å; A755-L766 HydrophobicContact CB-CD2 3.61Å; L766-S781 WeakPolarHBondContact CA-O 3.4Å; L766-S781 WeakPolarHBondContact CB-O 3.39Å; L766-S781 WeakPolarHBondContact CB-OG 3.37Å; L766-S781 PolarHBondContact N-O 3.05Å; L766-S781 PolarHBondContact O-N 2.73Å; L766-S781 PolarHBondContact O-OG 3.33Å; L766-I783 HydrophobicContact CD1-CD1 3.51Å; L766-I783 HydrophobicContact CD1-CG1 4.12Å; L766-L795 HydrophobicContact CD2-CD2 4.23Å; L766-T817 HydrophobicContact CD1-CG2 3.92Å; L766-T817 HydrophobicContact CD2-CG2 4.36Å |
| 767 | T | 89.9 | Confident | 79.9 | Confident | 13 Ų | 13 | 59 Ų | 59 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.9 | 179.2 | -58 | 0 | 0 | 0 | 0 | 109.8 | L733 Y753 L754 L769 L772 | L733-T767 HydrophobicContact CD1-CG2 4.12Å; Y753-T767 WeakPolarHBondContact CA-O 3.41Å; L754-T767 PolarHBondContact N-O 3.3Å; L754-T767 PolarHBondContact O-N 3.42Å; T767-L769 HydrophobicContact CG2-CD2 4.5Å; T767-L769 PolarHBondContact O-N 3.34Å; T767-L772 HydrophobicContact CG2-CD1 3.51Å; T767-L772 HydrophobicContact CG2-CD2 4.15Å; T767-L772 HydrophobicContact CG2-CG 3.91Å |
| 768 | N | 86.7 | Confident | 77.9 | Confident | 16 Ų | 16 | 61.7 Ų | 61.7 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.4 | 173.8 | -174 | -30.8 | 0 | 0 | 0 | 109.6 | M751 E752 Y753 K770 L771 L772 | M751-N768 PolarHBondContact SD-ND2 2.88Å; E752-N768 CarbonylContact O-C 3.53Å; E752-N768 WeakPolarHBondContact O-CA 3.4Å; Y753-N768 HydrophobicContact CD1-CB 4.4Å; Y753-N768 HydrophobicContact CE1-CB 4.15Å; N768-K770 PolarHBondContact O-N 3.04Å; N768-K770 WeakPolarHBondContact OD1-CB 3.2Å; N768-K770 PolarHBondContact OD1-N 3.08Å; N768-L771 HydrophobicContact CB-CB 4.35Å; N768-L771 HydrophobicContact CB-CD1 4Å; N768-L771 HydrophobicContact CB-CG 4.15Å; N768-L771 PolarHBondContact O-N 2.88Å; N768-L771 VanDerWaalsContact O-N 3.11Å; N768-L772 PolarHBondContact O-N 2.82Å |
| 769 | L | 84.3 | Confident | 76.3 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.2 | -174.8 | -61 | -178.6 | 0 | 0 | 0 | 113.5 | K709 V720 L745 E752 L754 T767 L772 | K709-L769 HydrophobicContact CG-CD1 4.17Å; V720-L769 HydrophobicContact CG1-CD1 4.09Å; V720-L769 HydrophobicContact CG1-CD2 4.36Å; V720-L769 HydrophobicContact CG2-CD2 3.97Å; L745-L769 HydrophobicContact CD1-CD1 3.86Å; E752-L769 HydrophobicContact CB-CB 4.09Å; E752-L769 PolarHBondContact O-N 2.84Å; L754-L769 HydrophobicContact CB-CD1 4.13Å; L754-L769 HydrophobicContact CB-CD2 4Å; L754-L769 HydrophobicContact CB-CG 4.01Å; L754-L769 HydrophobicContact CD2-CD2 3.95Å; T767-L769 HydrophobicContact CG2-CD2 4.5Å; T767-L769 PolarHBondContact O-N 3.34Å; L769-L772 HydrophobicContact CD2-CD1 3.87Å |
| 770 | K | 77.3 | Confident | 75.2 | Confident | 77 Ų | 77 | 64 Ų | 64 | 34% | 0.335 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -28.5 | 175.4 | -70.5 | -173.4 | 170.5 | -167.1 | 0 | 113.7 | L749 T750 E752 N768 S773 | L749-K770 VanDerWaalsContact O-CE 3.27Å; L749-K770 WeakPolarHBondContact O-CE 3.28Å; L749-K770 PolarHBondContact O-NZ 2.69Å; T750-K770 WeakPolarHBondContact O-CD 3.37Å; T750-K770 WeakPolarHBondContact O-CE 3.41Å; T750-K770 PolarHBondContact O-NZ 3.34Å; E752-K770 HydrophobicContact CB-CG 4.39Å; N768-K770 PolarHBondContact O-N 3.04Å; N768-K770 WeakPolarHBondContact OD1-CB 3.2Å; N768-K770 PolarHBondContact OD1-N 3.08Å; K770-S773 PolarHBondContact O-OG 3.17Å |
| 771 | L | 73.7 | Confident | 74.9 | Confident | 85 Ų | 85 | 57 Ų | 57 | 45% | 0.445 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -27 | 178.4 | -65.7 | 178.6 | 0 | 0 | 0 | 111.4 | N768 S773 R774 | N768-L771 HydrophobicContact CB-CB 4.35Å; N768-L771 HydrophobicContact CB-CD1 4Å; N768-L771 HydrophobicContact CB-CG 4.15Å; N768-L771 PolarHBondContact O-N 2.88Å; N768-L771 VanDerWaalsContact O-N 3.11Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 2.81Å; L771-R774 PolarHBondContact O-N 3.49Å |
| 772 | L | 67.7 | Low | 74.8 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 33% | 0.325 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.5 | 179.6 | -73.9 | 176.6 | 0 | 0 | 0 | 114.7 | V731 L733 T767 N768 L769 R774 | V731-L772 HydrophobicContact CB-CD1 4.46Å; V731-L772 HydrophobicContact CG1-CD1 3.86Å; V731-L772 HydrophobicContact CG2-CD1 4.36Å; L733-L772 HydrophobicContact CD2-CD1 4.36Å; T767-L772 HydrophobicContact CG2-CD1 3.51Å; T767-L772 HydrophobicContact CG2-CD2 4.15Å; T767-L772 HydrophobicContact CG2-CG 3.91Å; N768-L772 PolarHBondContact O-N 2.82Å; L769-L772 HydrophobicContact CD2-CD1 3.87Å; L772-R774 PolarHBondContact O-N 2.71Å |
| 773 | S | 60 | Low | 74.8 | Confident | 104 Ų | 104 | 57 Ų | 57 | 73% | 0.727 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.4 | 178 | 76.7 | 0 | 0 | 0 | 0 | 112.8 | K770 L771 | K770-S773 PolarHBondContact O-OG 3.17Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 2.81Å |
| 774 | R | 52.7 | Low | 74.8 | Confident | 157 Ų | 157 | 61.6 Ų | 61.6 | 59% | 0.592 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -96.1 | 126.8 | 170.1 | -63 | 178.1 | 170.5 | 162.1 | -0.7 | 105.3 | L771 L772 S776 | L771-R774 PolarHBondContact O-N 3.49Å; L772-R774 PolarHBondContact O-N 2.71Å; R774-S776 PolarHBondContact O-N 2.86Å |
| 775 | S | 50.2 | Low | 74.7 | Confident | 136 Ų | 136 | 61.6 Ų | 61.6 | 95% | 0.951 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -63.4 | 34.5 | -176.4 | -38.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 776 | S | 50.4 | Low | 74.8 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | trans | -102.1 | 121 | -178.5 | -38.2 | 0 | 0 | 0 | 0 | 107.9 | R774 A778 | R774-S776 PolarHBondContact O-N 2.86Å; S776-A778 PolarHBondContact O-N 3.11Å | ||
| 777 | S | 46.3 | Very low | 74.8 | Confident | 128 Ų | 128 | 68.8 Ų | 68.8 | 90% | 0.895 | 41% | 0.412 | S | S | * | . | trans | -63.4 | 74.7 | 170.3 | 46 | 0 | 0 | 0 | 0 | 110.8 | S779 | S777-S779 PolarHBondContact O-N 3.34Å; S777-S779 VanDerWaalsContact O-N 3.15Å | ||
| 778 | A | 54.4 | Low | 75 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | trans | -66.3 | 114.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | S776 | S776-A778 PolarHBondContact O-N 3.11Š| ||
| 779 | S | 59.6 | Low | 75.3 | Confident | 109 Ų | 109 | 71.6 Ų | 71.6 | 76% | 0.762 | 43% | 0.426 | S | S | * | . | trans | -53.9 | 131.2 | 175.1 | 48.7 | 0 | 0 | 0 | 0 | 109.6 | S777 S781 | S777-S779 PolarHBondContact O-N 3.34Å; S777-S779 VanDerWaalsContact O-N 3.15Å; S779-S781 PolarHBondContact O-N 3.36Å | ||
| 780 | P | 68.9 | Low | 75.9 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 43% | 0.429 | 43% | 0.426 | S | S | . | . | trans | -60.2 | 129.2 | -175.9 | 21.8 | -31.2 | 0 | 0 | 0 | 110.2 | Q765 V782 | Q765-P780 HydrophobicContact CG-CB 3.96Å; P780-V782 PolarHBondContact O-N 2.92Å | ||
| 781 | S | 85.3 | Confident | 76.7 | Confident | 22 Ų | 22 | 69 Ų | 69 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 112.6 | 174.7 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | L766 S779 | L766-S781 WeakPolarHBondContact CA-O 3.4Å; L766-S781 WeakPolarHBondContact CB-O 3.39Å; L766-S781 WeakPolarHBondContact CB-OG 3.37Å; L766-S781 PolarHBondContact N-O 3.05Å; L766-S781 PolarHBondContact O-N 2.73Å; L766-S781 PolarHBondContact O-OG 3.33Å; S779-S781 PolarHBondContact O-N 3.36Å |
| 782 | V | 91.9 | Very high | 77.6 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139.2 | -179.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | V764 P780 | V764-V782 CarbonylContact O-C 3.58Å; V764-V782 WeakPolarHBondContact O-CA 3.14Å; P780-V782 PolarHBondContact O-N 2.92Å |
| 783 | I | 94.3 | Very high | 78.9 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 120.2 | 171.3 | -64.4 | 179.9 | 0 | 0 | 0 | 107.9 | S763 V764 L766 A785 L802 F815 K820 | S763-I783 CarbonylContact C-O 3.5Å; S763-I783 WeakPolarHBondContact CA-O 3.28Å; V764-I783 PolarHBondContact N-O 3.31Å; V764-I783 PolarHBondContact O-N 3.49Å; L766-I783 HydrophobicContact CD1-CD1 3.51Å; L766-I783 HydrophobicContact CD1-CG1 4.12Å; I783-A785 HydrophobicContact CG2-CB 4.5Å; I783-A785 PolarHBondContact O-N 2.86Å; I783-A785 VanDerWaalsContact O-N 3.12Å; I783-L802 HydrophobicContact CD1-CD2 3.88Å; I783-F815 HydrophobicContact CD1-CB 4.08Å; I783-F815 HydrophobicContact CG2-CB 4.42Å; I783-F815 HydrophobicContact CG2-CD1 3.5Å; I783-F815 VanDerWaalsContact CG2-CD1 3.5Å; I783-F815 HydrophobicContact CG2-CD2 4.32Å; I783-F815 HydrophobicContact CG2-CE1 3.73Å; I783-F815 HydrophobicContact CG2-CG 3.84Å; I783-F815 HydrophobicContact CG2-CZ 4.26Å; I783-K820 HydrophobicContact CG1-CB 4.19Å; I783-K820 HydrophobicContact CG1-CG 4.48Å |
| 784 | N | 94.5 | Very high | 80.5 | Confident | 99 Ų | 99 | 58.7 Ų | 58.7 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 96.4 | 172.3 | -63.7 | -28.1 | 0 | 0 | 0 | 108.3 | ||
| 785 | A | 94.7 | Very high | 82.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | trans | -89.1 | -41.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G762 V764 I783 L790 T804 R813 F815 | G762-A785 WeakPolarHBondContact O-CA 3.43Å; G762-A785 WeakPolarHBondContact O-CB 3.27Å; G762-A785 PolarHBondContact O-N 2.59Å; V764-A785 HydrophobicContact CG2-CB 4.28Å; I783-A785 HydrophobicContact CG2-CB 4.5Å; I783-A785 PolarHBondContact O-N 2.86Å; I783-A785 VanDerWaalsContact O-N 3.12Å; A785-L790 HydrophobicContact CB-CD2 4.48Å; A785-T804 HydrophobicContact CB-CG2 4.07Å; A785-T804 WeakPolarHBondContact CB-OG1 3.4Å; A785-R813 WeakPolarHBondContact O-CD 3.33Å; A785-R813 PolarHBondContact O-NH1 3.34Å; A785-F815 HydrophobicContact CB-CE2 3.84Å; A785-F815 HydrophobicContact CB-CZ 3.87Å | ||
| 786 | H | 95.7 | Very high | 84.4 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | trans | -141.5 | 164.4 | -177.4 | -65.8 | -87.4 | 0 | 0 | 0 | 111.2 | G762 L790 T804 | G762-H786 CarbonylContact C-O 3.55Å; G762-H786 VanDerWaalsContact CA-O 3.27Å; G762-H786 WeakPolarHBondContact CA-O 3.39Å; G762-H786 PolarHBondContact O-N 3.23Å; H786-L790 HydrophobicContact CB-CD2 4.4Å; H786-T804 PolarHBondContact CD2-OG1 3.06Å; H786-T804 PolarHBondContact NE2-O 2.82Å; H786-T804 PolarHBondContact NE2-OG1 3.48Å | ||
| 787 | D | 92.8 | Very high | 85.9 | Confident | 151 Ų | 151 | 43 Ų | 43 | 81% | 0.807 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -93.2 | -12.4 | 176.8 | -51 | -54.5 | 0 | 0 | 0 | 112.6 | ||
| 788 | S | 93.4 | Very high | 87.7 | Confident | 27 Ų | 27 | 42.5 Ų | 42.5 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -115.1 | 173 | 175.7 | 67 | 0 | 0 | 0 | 0 | 110.7 | G762 S806 | G762-S788 WeakPolarHBondContact CA-O 3.37Å; G762-S788 PolarHBondContact N-O 2.83Å; S788-S806 WeakPolarHBondContact OG-CB 3.47Å; S788-S806 PolarHBondContact OG-OG 2.9Å |
| 789 | E | 94.5 | Very high | 89.3 | Confident | 61 Ų | 61 | 39.3 Ų | 39.3 | 29% | 0.285 | 23% | 0.228 | S | C | . | . | trans | -58.6 | 146.8 | -179.6 | -67 | -61.4 | 162 | 0 | 0 | 112.3 | R736 T761 S806 E807 | R736-E789 IonicContact NH1-OE1 3.26Å; R736-E789 PolarHBondContact NH1-OE1 2.9Å; T761-E789 HydrophobicContact CG2-CG 4.1Å; T761-E789 WeakPolarHBondContact CG2-OE1 3.24Å; T761-E789 PolarHBondContact OG1-OE1 2.85Å; E789-S806 CarbonylContact O-C 3.54Å; E789-S806 WeakPolarHBondContact O-CA 3.02Å; E789-S806 VanDerWaalsContact O-CB 3.27Å; E789-S806 WeakPolarHBondContact O-CB 3.14Å; E789-E807 HydrophobicContact CB-CG 4.1Å; E789-E807 PolarHBondContact O-N 2.7Å | ||
| 790 | L | 95.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 139.2 | -179 | -65 | 174.2 | 0 | 0 | 0 | 109.9 | L742 S763 V764 A785 H786 I793 | L742-L790 HydrophobicContact CD1-CB 3.85Å; L742-L790 VanDerWaalsContact CD1-O 3.24Å; L742-L790 WeakPolarHBondContact CD1-O 3.37Å; S763-L790 WeakPolarHBondContact O-CD1 3.02Å; V764-L790 HydrophobicContact CG2-CD1 3.51Å; A785-L790 HydrophobicContact CB-CD2 4.48Å; H786-L790 HydrophobicContact CB-CD2 4.4Å; L790-I793 HydrophobicContact CD1-CD1 3.83Å; L790-I793 HydrophobicContact CD1-CG1 4.21Å |
| 791 | A | 93.3 | Very high | 91.9 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -33.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L742 A805 S806 | L742-A791 VanDerWaalsContact CD2-O 3.31Å; L742-A791 WeakPolarHBondContact CD2-O 3.24Å; A791-A805 PolarHBondContact N-O 2.84Å; A791-S806 WeakPolarHBondContact CB-O 3.27Å |
| 792 | C | 94.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 10% | 0.101 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 140.9 | -177.9 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | T804 A805 I835 I838 | C792-T804 WeakPolarHBondContact O-CA 3.4Å; C792-A805 HydrophobicContact CB-CB 4.32Å; C792-A805 PolarHBondContact N-O 3.17Å; C792-A805 PolarHBondContact O-N 3.48Å; C792-I835 HydrophobicContact CB-CB 4.5Å; C792-I835 HydrophobicContact CB-CG2 4.02Å; C792-I838 HydrophobicContact CB-CD1 3.79Å; C792-I838 HydrophobicContact CB-CG1 4.19Å |
| 793 | I | 95 | Very high | 92.7 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131 | 178.5 | -54.4 | 178.1 | 0 | 0 | 0 | 107.4 | L742 A744 A755 P757 V764 L790 L802 | L742-I793 HydrophobicContact CB-CD1 3.97Å; L742-I793 HydrophobicContact CB-CG1 4.39Å; A744-I793 HydrophobicContact CB-CG2 4.09Å; A755-I793 HydrophobicContact CB-CG2 3.93Å; P757-I793 HydrophobicContact CG-CD1 4.11Å; V764-I793 HydrophobicContact CG1-CG2 4.36Å; V764-I793 HydrophobicContact CG2-CD1 4.17Å; V764-I793 HydrophobicContact CG2-CG1 4.47Å; L790-I793 HydrophobicContact CD1-CD1 3.83Å; L790-I793 HydrophobicContact CD1-CG1 4.21Å; I793-L802 HydrophobicContact CG2-CD1 3.72Å |
| 794 | S | 93.7 | Very high | 92.8 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 6% | 0.056 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 136.9 | 179.5 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | A803 I838 | S794-A803 PolarHBondContact N-O 3.24Å; S794-A803 PolarHBondContact O-N 3.33Å; S794-I838 WeakPolarHBondContact CB-O 3.49Å; S794-I838 PolarHBondContact OG-O 3.33Å |
| 795 | L | 92.7 | Very high | 92.9 | Very high | 17 Ų | 17 | 25.1 Ų | 25.1 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 148.4 | 172.7 | -72.8 | 172.6 | 0 | 0 | 0 | 109.2 | A744 Y753 A755 L766 L801 L802 T817 | A744-L795 HydrophobicContact CB-CB 4.32Å; A744-L795 HydrophobicContact CB-CD1 4.29Å; A744-L795 HydrophobicContact CB-CG 4Å; Y753-L795 WeakPolarHBondContact O-CD1 3.49Å; A755-L795 HydrophobicContact CB-CD1 3.92Å; A755-L795 HydrophobicContact CB-CD2 4.31Å; A755-L795 HydrophobicContact CB-CG 4.06Å; L766-L795 HydrophobicContact CD2-CD2 4.23Å; L795-L801 WeakPolarHBondContact CA-O 3.09Å; L795-L801 WeakPolarHBondContact CD2-O 3.34Å; L795-L802 HydrophobicContact CD2-CB 4.01Å; L795-L802 HydrophobicContact CD2-CD1 3.78Å; L795-L802 HydrophobicContact CG-CD1 4.35Å; L795-T817 HydrophobicContact CD2-CG2 4Å |
| 796 | N | 90.6 | Very high | 93 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | trans | -72.4 | 166.3 | 164.2 | 74.7 | -26.7 | 0 | 0 | 0 | 110.7 | Q798 G799 S800 L801 F840 S844 | N796-Q798 PolarHBondContact O-N 3.41Å; N796-Q798 VanDerWaalsContact O-N 3.11Å; N796-G799 PolarHBondContact O-N 2.84Å; N796-G799 WeakPolarHBondContact OD1-CA 3.22Å; N796-G799 PolarHBondContact OD1-N 3.15Å; N796-S800 PolarHBondContact ND2-OG 2.82Å; N796-S800 PolarHBondContact OD1-N 2.83Å; N796-L801 HydrophobicContact CB-CB 4.18Å; N796-L801 PolarHBondContact N-O 3.31Å; N796-L801 VanDerWaalsContact N-O 3.09Å; N796-L801 PolarHBondContact OD1-N 3.21Å; N796-L801 PolarHBondContact OD1-O 3.3Å; N796-F840 HydrophobicContact CB-CB 3.99Å; N796-F840 HydrophobicContact CB-CD1 4.11Å; N796-F840 HydrophobicContact CB-CD2 3.81Å; N796-F840 HydrophobicContact CB-CE2 4.26Å; N796-F840 HydrophobicContact CB-CG 3.71Å; N796-S844 WeakPolarHBondContact CB-OG 3.31Å; N796-S844 PolarHBondContact ND2-OG 3.05Å | ||
| 797 | C | 82.1 | Confident | 92.9 | Very high | 25 Ų | 25 | 30.3 Ų | 30.3 | 17% | 0.169 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -39.8 | -176.9 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | K617 A747 D748 G799 | K617-C797 WeakPolarHBondContact CG-SG 2.91Å; A747-C797 PolarHBondContact N-O 2.8Å; D748-C797 WeakPolarHBondContact CB-O 3.4Å; D748-C797 PolarHBondContact N-O 2.96Å; C797-G799 VanDerWaalsContact C-N 3.3Å; C797-G799 PolarHBondContact O-N 2.79Å |
| 798 | Q | 83.8 | Confident | 92.9 | Very high | 117 Ų | 117 | 31.2 Ų | 31.2 | 55% | 0.547 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.6 | -179.3 | -65.9 | 177.2 | -22.8 | 0 | 0 | 113.9 | N796 S800 | N796-Q798 PolarHBondContact O-N 3.41Å; N796-Q798 VanDerWaalsContact O-N 3.11Å; Q798-S800 PolarHBondContact O-N 2.85Å; Q798-S800 PolarHBondContact OE1-OG 2.84Å |
| 799 | G | 88.1 | Confident | 92.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 63.1 | 17.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N796 C797 T817 | N796-G799 PolarHBondContact O-N 2.84Å; N796-G799 WeakPolarHBondContact OD1-CA 3.22Å; N796-G799 PolarHBondContact OD1-N 3.15Å; C797-G799 VanDerWaalsContact C-N 3.3Å; C797-G799 PolarHBondContact O-N 2.79Å; G799-T817 VanDerWaalsContact O-CB 3.31Å; G799-T817 WeakPolarHBondContact O-CB 3.23Å; G799-T817 VanDerWaalsContact O-CG2 3.22Å; G799-T817 WeakPolarHBondContact O-CG2 3.43Å; G799-T817 PolarHBondContact O-OG1 2.73Å |
| 800 | S | 90.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 28 Ų | 28 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -85.4 | -22.2 | 178.6 | 56.2 | 0 | 0 | 0 | 0 | 113.1 | N796 Q798 T817 | N796-S800 PolarHBondContact ND2-OG 2.82Å; N796-S800 PolarHBondContact OD1-N 2.83Å; Q798-S800 PolarHBondContact O-N 2.85Å; Q798-S800 PolarHBondContact OE1-OG 2.84Å; S800-T817 VanDerWaalsContact C-OG1 3.26Å; S800-T817 VanDerWaalsContact CA-OG1 3.24Å; S800-T817 WeakPolarHBondContact CA-OG1 3.24Å; S800-T817 PolarHBondContact O-N 3.44Å; S800-T817 PolarHBondContact O-OG1 2.85Å; S800-T817 VanDerWaalsContact O-OG1 3.12Å |
| 801 | L | 94.1 | Very high | 92.7 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 12% | 0.12 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141 | 178.3 | -58.5 | -180 | 0 | 0 | 0 | 110.9 | L795 N796 F815 L823 F840 V861 | L795-L801 WeakPolarHBondContact CA-O 3.09Å; L795-L801 WeakPolarHBondContact CD2-O 3.34Å; N796-L801 HydrophobicContact CB-CB 4.18Å; N796-L801 PolarHBondContact N-O 3.31Å; N796-L801 VanDerWaalsContact N-O 3.09Å; N796-L801 PolarHBondContact OD1-N 3.21Å; N796-L801 PolarHBondContact OD1-O 3.3Å; L801-F815 WeakPolarHBondContact CA-O 3.42Å; L801-L823 HydrophobicContact CD2-CD1 3.46Å; L801-L823 VanDerWaalsContact CD2-CD1 3.46Å; L801-F840 HydrophobicContact CB-CE1 4.03Å; L801-F840 HydrophobicContact CB-CZ 3.9Å; L801-F840 HydrophobicContact CD1-CE1 4.01Å; L801-V861 HydrophobicContact CD1-CG1 4.04Å |
| 802 | L | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.3 | 174.7 | 172.2 | 71.9 | 0 | 0 | 0 | 108.7 | A755 V764 I783 I793 L795 T804 I814 F815 T817 | A755-L802 HydrophobicContact CB-CD1 4.06Å; V764-L802 HydrophobicContact CB-CD2 4.06Å; V764-L802 HydrophobicContact CG1-CD1 4.31Å; V764-L802 HydrophobicContact CG1-CD2 3.85Å; V764-L802 HydrophobicContact CG2-CD2 4.36Å; I783-L802 HydrophobicContact CD1-CD2 3.88Å; I793-L802 HydrophobicContact CG2-CD1 3.72Å; L795-L802 HydrophobicContact CD2-CB 4.01Å; L795-L802 HydrophobicContact CD2-CD1 3.78Å; L795-L802 HydrophobicContact CG-CD1 4.35Å; L802-T804 HydrophobicContact CD1-CG2 4.21Å; L802-T804 HydrophobicContact CD2-CG2 4.09Å; L802-T804 HydrophobicContact CG-CG2 3.93Å; L802-I814 CarbonylContact O-C 3.53Å; L802-I814 VanDerWaalsContact O-CA 3.27Å; L802-I814 WeakPolarHBondContact O-CA 3.45Å; L802-F815 HydrophobicContact CB-CB 4.39Å; L802-F815 PolarHBondContact N-O 3.38Å; L802-F815 PolarHBondContact O-N 2.8Å; L802-T817 HydrophobicContact CB-CG2 3.94Å |
| 803 | A | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S794 R813 I814 I838 F840 I847 | S794-A803 PolarHBondContact N-O 3.24Å; S794-A803 PolarHBondContact O-N 3.33Å; A803-R813 CarbonylContact C-O 3.49Å; A803-R813 VanDerWaalsContact CA-O 3.31Å; A803-R813 WeakPolarHBondContact CA-O 3.28Å; A803-I814 HydrophobicContact CB-CG1 4.14Å; A803-I838 HydrophobicContact CB-CG2 3.78Å; A803-F840 HydrophobicContact CB-CE2 3.67Å; A803-F840 HydrophobicContact CB-CZ 3.58Å; A803-I847 HydrophobicContact CB-CD1 3.33Å |
| 804 | T | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.9 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | V764 A785 H786 C792 L802 I812 R813 | V764-T804 HydrophobicContact CG2-CG2 3.8Å; A785-T804 HydrophobicContact CB-CG2 4.07Å; A785-T804 WeakPolarHBondContact CB-OG1 3.4Å; H786-T804 PolarHBondContact CD2-OG1 3.06Å; H786-T804 PolarHBondContact NE2-O 2.82Å; H786-T804 PolarHBondContact NE2-OG1 3.48Å; C792-T804 WeakPolarHBondContact O-CA 3.4Å; L802-T804 HydrophobicContact CD1-CG2 4.21Å; L802-T804 HydrophobicContact CD2-CG2 4.09Å; L802-T804 HydrophobicContact CG-CG2 3.93Å; T804-I812 WeakPolarHBondContact O-CA 3.49Å; T804-R813 PolarHBondContact N-O 3.04Å; T804-R813 PolarHBondContact O-N 3.22Å |
| 805 | A | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 147.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110 | A791 C792 I812 I835 I838 | A791-A805 PolarHBondContact N-O 2.84Å; C792-A805 HydrophobicContact CB-CB 4.32Å; C792-A805 PolarHBondContact N-O 3.17Å; C792-A805 PolarHBondContact O-N 3.48Å; A805-I812 HydrophobicContact CB-CD1 3.59Å; A805-I835 HydrophobicContact CB-CB 4.24Å; A805-I835 HydrophobicContact CB-CG1 3.87Å; A805-I835 HydrophobicContact CB-CG2 4.3Å; A805-I838 HydrophobicContact CB-CD1 3.8Å |
| 806 | S | 96.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 29 Ų | 29 | 4% | 0.042 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 172.9 | 169.1 | 74.3 | 0 | 0 | 0 | 0 | 111.8 | S788 E789 A791 R808 G809 | S788-S806 WeakPolarHBondContact OG-CB 3.47Å; S788-S806 PolarHBondContact OG-OG 2.9Å; E789-S806 CarbonylContact O-C 3.54Å; E789-S806 WeakPolarHBondContact O-CA 3.02Å; E789-S806 VanDerWaalsContact O-CB 3.27Å; E789-S806 WeakPolarHBondContact O-CB 3.14Å; A791-S806 WeakPolarHBondContact CB-O 3.27Å; S806-R808 PolarHBondContact O-N 3.28Å; S806-R808 VanDerWaalsContact O-N 3.15Å; S806-R808 PolarHBondContact OG-N 3.46Å; S806-G809 WeakPolarHBondContact O-CA 3.35Å; S806-G809 PolarHBondContact O-N 3.31Å |
| 807 | E | 94 | Very high | 93.3 | Very high | 114 Ų | 114 | 29.1 Ų | 29.1 | 53% | 0.533 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -24.3 | 173.1 | -71.2 | -175.4 | 164.5 | 0 | 0 | 113.9 | E789 G809 | E789-E807 HydrophobicContact CB-CG 4.1Å; E789-E807 PolarHBondContact O-N 2.7Å; E807-G809 PolarHBondContact O-N 3Å |
| 808 | R | 93 | Very high | 93.5 | Very high | 171 Ų | 171 | 35 Ų | 35 | 65% | 0.645 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -34 | 171.6 | -63.3 | -173.1 | -177.8 | -173.9 | 1.4 | 111.2 | S806 T810 P832 A833 | S806-R808 PolarHBondContact O-N 3.28Å; S806-R808 VanDerWaalsContact O-N 3.15Å; S806-R808 PolarHBondContact OG-N 3.46Å; R808-T810 PolarHBondContact O-N 3.21Å; R808-P832 WeakPolarHBondContact O-CA 3.39Å; R808-P832 WeakPolarHBondContact O-CB 3.49Å; R808-A833 PolarHBondContact O-N 3.02Å |
| 809 | G | 91.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | 55.3 | 19.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | S806 E807 R828 A833 | S806-G809 WeakPolarHBondContact O-CA 3.35Å; S806-G809 PolarHBondContact O-N 3.31Å; E807-G809 PolarHBondContact O-N 3Å; G809-R828 PolarHBondContact O-NE 2.77Å; G809-R828 PolarHBondContact O-NH2 2.93Å; G809-A833 WeakPolarHBondContact CA-O 3.29Å | ||
| 810 | T | 93 | Very high | 93.9 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 13% | 0.129 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -85.6 | -36.6 | 174.9 | 50.7 | 0 | 0 | 0 | 0 | 111.5 | R808 R828 | R808-T810 PolarHBondContact O-N 3.21Å; T810-R828 PolarHBondContact O-N 2.94Å |
| 811 | L | 94 | Very high | 94 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 20% | 0.204 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.3 | -175 | -60.8 | 173.6 | 0 | 0 | 0 | 111 | E825 V826 R827 | L811-E825 HydrophobicContact CD2-CG 4.34Å; L811-V826 WeakPolarHBondContact CA-O 3.39Å; L811-R827 HydrophobicContact CD2-CB 4.19Å; L811-R827 HydrophobicContact CD2-CG 4.01Å |
| 812 | I | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 123.3 | 172.5 | -47.6 | -63.2 | 0 | 0 | 0 | 106.9 | T804 A805 E825 V826 I835 I838 V849 | T804-I812 WeakPolarHBondContact O-CA 3.49Å; A805-I812 HydrophobicContact CB-CD1 3.59Å; I812-E825 WeakPolarHBondContact O-CA 3.3Å; I812-V826 HydrophobicContact CB-CG2 3.73Å; I812-V826 HydrophobicContact CG1-CG2 4.37Å; I812-V826 HydrophobicContact CG2-CG2 4.4Å; I812-V826 PolarHBondContact N-O 3Å; I812-V826 PolarHBondContact O-N 3.48Å; I812-I835 HydrophobicContact CD1-CD1 4.41Å; I812-I835 HydrophobicContact CD1-CG1 4.38Å; I812-I838 HydrophobicContact CD1-CD1 4.07Å; I812-I838 HydrophobicContact CG2-CD1 4.11Å; I812-V849 HydrophobicContact CD1-CG1 4.07Å; I812-V849 HydrophobicContact CG1-CG1 4.39Å; I812-V849 HydrophobicContact CG1-CG2 4.18Å |
| 813 | R | 97 | Very high | 93.9 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 17% | 0.166 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.7 | -177 | -68 | 176.6 | 174.7 | 165.5 | 5 | 109.5 | A785 A803 T804 F815 K822 E825 | A785-R813 WeakPolarHBondContact O-CD 3.33Å; A785-R813 PolarHBondContact O-NH1 3.34Å; A803-R813 CarbonylContact C-O 3.49Å; A803-R813 VanDerWaalsContact CA-O 3.31Å; A803-R813 WeakPolarHBondContact CA-O 3.28Å; T804-R813 PolarHBondContact N-O 3.04Å; T804-R813 PolarHBondContact O-N 3.22Å; R813-F815 HydrophobicContact CB-CD2 4.34Å; R813-F815 HydrophobicContact CB-CE2 3.37Å; R813-F815 HydrophobicContact CB-CZ 3.68Å; R813-F815 HydrophobicContact CG-CZ 4.49Å; R813-K822 HydrophobicContact CB-CD 4.38Å; R813-K822 HydrophobicContact CG-CD 4.14Å; R813-E825 HydrophobicContact CG-CB 4.46Å; R813-E825 HydrophobicContact CG-CG 3.97Å; R813-E825 IonicContact CZ-OE2 3.64Å; R813-E825 IonicContact NE-OE2 3.45Å; R813-E825 PolarHBondContact NE-OE2 2.96Å; R813-E825 IonicContact NH2-OE2 2.81Å |
| 814 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | 179.1 | -59.9 | 151.7 | 0 | 0 | 0 | 108.5 | L802 A803 L823 L824 F840 I847 V861 | L802-I814 CarbonylContact O-C 3.53Å; L802-I814 VanDerWaalsContact O-CA 3.27Å; L802-I814 WeakPolarHBondContact O-CA 3.45Å; A803-I814 HydrophobicContact CB-CG1 4.14Å; I814-L823 PolarHBondContact O-N 2.82Å; I814-L824 HydrophobicContact CB-CB 4.2Å; I814-L824 HydrophobicContact CD1-CB 4.1Å; I814-L824 HydrophobicContact CD1-CD2 3.96Å; I814-L824 HydrophobicContact CD1-CG 4.44Å; I814-L824 PolarHBondContact N-O 3.38Å; I814-L824 PolarHBondContact O-N 2.78Å; I814-L824 VanDerWaalsContact O-N 3.17Å; I814-F840 HydrophobicContact CG2-CE1 4.44Å; I814-F840 HydrophobicContact CG2-CZ 4.38Å; I814-I847 HydrophobicContact CD1-CD1 4.46Å; I814-I847 HydrophobicContact CD1-CG2 4.35Å; I814-I847 HydrophobicContact CG1-CD1 4.36Å; I814-V861 HydrophobicContact CD1-CG1 4.19Å; I814-V861 HydrophobicContact CD1-CG2 3.8Å; I814-V861 HydrophobicContact CG2-CG1 4.19Å |
| 815 | F | 96.8 | Very high | 93.6 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 149.2 | -175.1 | -58.1 | -98.7 | 0 | 0 | 0 | 110.6 | I783 A785 L801 L802 R813 T821 K822 | I783-F815 HydrophobicContact CD1-CB 4.08Å; I783-F815 HydrophobicContact CG2-CB 4.42Å; I783-F815 HydrophobicContact CG2-CD1 3.5Å; I783-F815 VanDerWaalsContact CG2-CD1 3.5Å; I783-F815 HydrophobicContact CG2-CD2 4.32Å; I783-F815 HydrophobicContact CG2-CE1 3.73Å; I783-F815 HydrophobicContact CG2-CG 3.84Å; I783-F815 HydrophobicContact CG2-CZ 4.26Å; A785-F815 HydrophobicContact CB-CE2 3.84Å; A785-F815 HydrophobicContact CB-CZ 3.87Å; L801-F815 WeakPolarHBondContact CA-O 3.42Å; L802-F815 HydrophobicContact CB-CB 4.39Å; L802-F815 PolarHBondContact N-O 3.38Å; L802-F815 PolarHBondContact O-N 2.8Å; R813-F815 HydrophobicContact CB-CD2 4.34Å; R813-F815 HydrophobicContact CB-CE2 3.37Å; R813-F815 HydrophobicContact CB-CZ 3.68Å; R813-F815 HydrophobicContact CG-CZ 4.49Å; F815-T821 VanDerWaalsContact CA-O 3.31Å; F815-T821 WeakPolarHBondContact CA-O 3.5Å; F815-K822 VanDerWaalsContact CD1-CA 3.47Å; F815-K822 HydrophobicContact CD1-CB 3.82Å; F815-K822 HydrophobicContact CD1-CG 4.31Å; F815-K822 HydrophobicContact CE1-CB 3.64Å; F815-K822 HydrophobicContact CE1-CD 4.34Å; F815-K822 HydrophobicContact CE1-CG 3.95Å; F815-K822 HydrophobicContact CZ-CB 4.42Å; F815-K822 HydrophobicContact CZ-CD 4.36Å; F815-K822 HydrophobicContact CZ-CG 4.25Å |
| 816 | S | 93.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.6 | 163.5 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | Q818 K819 K820 T821 | S816-Q818 VanDerWaalsContact C-N 3.31Å; S816-Q818 PolarHBondContact O-N 2.86Å; S816-K819 PolarHBondContact OG-N 2.75Å; S816-K820 WeakPolarHBondContact O-CA 3.24Å; S816-K820 PolarHBondContact O-N 3.33Å; S816-T821 PolarHBondContact N-O 3.28Å |
| 817 | T | 90.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -32 | 177.6 | 58 | 0 | 0 | 0 | 0 | 112.3 | L766 L795 G799 S800 L802 | L766-T817 HydrophobicContact CD1-CG2 3.92Å; L766-T817 HydrophobicContact CD2-CG2 4.36Å; L795-T817 HydrophobicContact CD2-CG2 4Å; G799-T817 VanDerWaalsContact O-CB 3.31Å; G799-T817 WeakPolarHBondContact O-CB 3.23Å; G799-T817 VanDerWaalsContact O-CG2 3.22Å; G799-T817 WeakPolarHBondContact O-CG2 3.43Å; G799-T817 PolarHBondContact O-OG1 2.73Å; S800-T817 VanDerWaalsContact C-OG1 3.26Å; S800-T817 VanDerWaalsContact CA-OG1 3.24Å; S800-T817 WeakPolarHBondContact CA-OG1 3.24Å; S800-T817 PolarHBondContact O-N 3.44Å; S800-T817 PolarHBondContact O-OG1 2.85Å; S800-T817 VanDerWaalsContact O-OG1 3.12Å; L802-T817 HydrophobicContact CB-CG2 3.94Å |
| 818 | Q | 87.2 | Confident | 93.2 | Very high | 149 Ų | 149 | 53 Ų | 53 | 70% | 0.696 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -51.1 | 177.9 | -67.6 | 179.9 | 6.9 | 0 | 0 | 111.9 | S816 K820 | S816-Q818 VanDerWaalsContact C-N 3.31Å; S816-Q818 PolarHBondContact O-N 2.86Å; Q818-K820 VanDerWaalsContact C-N 3.34Å |
| 819 | K | 89.1 | Confident | 93 | Very high | 158 Ų | 158 | 45.3 Ų | 45.3 | 69% | 0.687 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -18 | -178.7 | -62.3 | -176.3 | 178.1 | -178.5 | 0 | 112.9 | S816 T821 | S816-K819 PolarHBondContact OG-N 2.75Å; K819-T821 HydrophobicContact CB-CG2 4.23Å; K819-T821 WeakPolarHBondContact CB-OG1 3.38Å; K819-T821 PolarHBondContact O-N 2.88Å |
| 820 | K | 90.4 | Very high | 92.7 | Very high | 110 Ų | 110 | 47.9 Ų | 47.9 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | trans | 57.8 | 22.5 | -173.1 | -51.8 | 177.3 | -173.2 | 176 | 0 | 113.4 | I783 S816 Q818 | I783-K820 HydrophobicContact CG1-CB 4.19Å; I783-K820 HydrophobicContact CG1-CG 4.48Å; S816-K820 WeakPolarHBondContact O-CA 3.24Å; S816-K820 PolarHBondContact O-N 3.33Å; Q818-K820 VanDerWaalsContact C-N 3.34Å | ||
| 821 | T | 92.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 41% | 0.411 | 26% | 0.256 | S | S | . | . | trans | -105 | 146.4 | -179.6 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | F815 S816 K819 L823 | F815-T821 VanDerWaalsContact CA-O 3.31Å; F815-T821 WeakPolarHBondContact CA-O 3.5Å; S816-T821 PolarHBondContact N-O 3.28Å; K819-T821 HydrophobicContact CB-CG2 4.23Å; K819-T821 WeakPolarHBondContact CB-OG1 3.38Å; K819-T821 PolarHBondContact O-N 2.88Å; T821-L823 PolarHBondContact O-N 3.17Å | ||
| 822 | K | 94.6 | Very high | 92.4 | Very high | 110 Ų | 110 | 54.6 Ų | 54.6 | 48% | 0.478 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 124.1 | 169.3 | -168.4 | 170.7 | 69.2 | 175.6 | 0 | 108.8 | R813 F815 E825 | R813-K822 HydrophobicContact CB-CD 4.38Å; R813-K822 HydrophobicContact CG-CD 4.14Å; F815-K822 VanDerWaalsContact CD1-CA 3.47Å; F815-K822 HydrophobicContact CD1-CB 3.82Å; F815-K822 HydrophobicContact CD1-CG 4.31Å; F815-K822 HydrophobicContact CE1-CB 3.64Å; F815-K822 HydrophobicContact CE1-CD 4.34Å; F815-K822 HydrophobicContact CE1-CG 3.95Å; F815-K822 HydrophobicContact CZ-CB 4.42Å; F815-K822 HydrophobicContact CZ-CD 4.36Å; F815-K822 HydrophobicContact CZ-CG 4.25Å; K822-E825 HydrophobicContact CD-CB 4.42Å; K822-E825 IonicContact NZ-OE2 3.6Å; K822-E825 PolarHBondContact NZ-OE2 3.25Å |
| 823 | L | 93.2 | Very high | 92.3 | Very high | 92 Ų | 92 | 54.8 Ų | 54.8 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -42.3 | 177.6 | -66.7 | 177.9 | 0 | 0 | 0 | 111.5 | L801 I814 T821 | L801-L823 HydrophobicContact CD2-CD1 3.46Å; L801-L823 VanDerWaalsContact CD2-CD1 3.46Å; I814-L823 PolarHBondContact O-N 2.82Å; T821-L823 PolarHBondContact O-N 3.17Å |
| 824 | L | 94 | Very high | 92 | Very high | 15 Ų | 15 | 55.6 Ų | 55.6 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.6 | -174 | -164.6 | 65.6 | 0 | 0 | 0 | 110.2 | I814 V826 A860 P864 L885 | I814-L824 HydrophobicContact CB-CB 4.2Å; I814-L824 HydrophobicContact CD1-CB 4.1Å; I814-L824 HydrophobicContact CD1-CD2 3.96Å; I814-L824 HydrophobicContact CD1-CG 4.44Å; I814-L824 PolarHBondContact N-O 3.38Å; I814-L824 PolarHBondContact O-N 2.78Å; I814-L824 VanDerWaalsContact O-N 3.17Å; L824-V826 HydrophobicContact CD2-CG1 3.67Å; L824-V826 HydrophobicContact CG-CG1 3.82Å; L824-A860 WeakPolarHBondContact CD2-O 3.21Å; L824-P864 HydrophobicContact CD1-CB 3.93Å; L824-P864 HydrophobicContact CD1-CG 3.96Å; L824-L885 HydrophobicContact CD1-CD1 3.37Å; L824-L885 HydrophobicContact CG-CD1 4.26Å |
| 825 | E | 94.5 | Very high | 91.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.1 | 169 | -175.6 | 169.5 | 115.2 | 0 | 0 | 107.9 | L811 I812 R813 K822 | L811-E825 HydrophobicContact CD2-CG 4.34Å; I812-E825 WeakPolarHBondContact O-CA 3.3Å; R813-E825 HydrophobicContact CG-CB 4.46Å; R813-E825 HydrophobicContact CG-CG 3.97Å; R813-E825 IonicContact CZ-OE2 3.64Å; R813-E825 IonicContact NE-OE2 3.45Å; R813-E825 PolarHBondContact NE-OE2 2.96Å; R813-E825 IonicContact NH2-OE2 2.81Å; K822-E825 HydrophobicContact CD-CB 4.42Å; K822-E825 IonicContact NZ-OE2 3.6Å; K822-E825 PolarHBondContact NZ-OE2 3.25Å |
| 826 | V | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 150.5 | -179.3 | -57 | 0 | 0 | 0 | 0 | 110.3 | L811 I812 L824 F859 L885 | L811-V826 WeakPolarHBondContact CA-O 3.39Å; I812-V826 HydrophobicContact CB-CG2 3.73Å; I812-V826 HydrophobicContact CG1-CG2 4.37Å; I812-V826 HydrophobicContact CG2-CG2 4.4Å; I812-V826 PolarHBondContact N-O 3Å; I812-V826 PolarHBondContact O-N 3.48Å; L824-V826 HydrophobicContact CD2-CG1 3.67Å; L824-V826 HydrophobicContact CG-CG1 3.82Å; V826-F859 HydrophobicContact CB-CB 4.49Å; V826-F859 HydrophobicContact CB-CD1 3.49Å; V826-F859 VanDerWaalsContact CB-CD1 3.49Å; V826-F859 HydrophobicContact CB-CE1 3.74Å; V826-F859 HydrophobicContact CB-CG 4.02Å; V826-F859 HydrophobicContact CB-CZ 4.46Å; V826-F859 HydrophobicContact CG1-CB 4.26Å; V826-F859 HydrophobicContact CG1-CD1 3.97Å; V826-F859 HydrophobicContact CG1-CG 4.31Å; V826-F859 HydrophobicContact CG2-CB 4.22Å; V826-F859 HydrophobicContact CG2-CD1 3.61Å; V826-F859 HydrophobicContact CG2-CD2 3.94Å; V826-F859 HydrophobicContact CG2-CE1 3.81Å; V826-F859 HydrophobicContact CG2-CE2 4.13Å; V826-F859 HydrophobicContact CG2-CG 3.67Å; V826-F859 HydrophobicContact CG2-CZ 4.07Å; V826-L885 CarbonylContact C-O 3.6Å; V826-L885 WeakPolarHBondContact CA-O 3.46Å; V826-L885 HydrophobicContact CG1-CB 4.15Å |
| 827 | R | 93 | Very high | 91.3 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 14% | 0.14 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.7 | -172.8 | -162.7 | 161.7 | -155.6 | -91.5 | 1.4 | 109.8 | L811 S830 F859 L885 | L811-R827 HydrophobicContact CD2-CB 4.19Å; L811-R827 HydrophobicContact CD2-CG 4.01Å; R827-S830 VanDerWaalsContact NH1-CA 3.3Å; R827-S830 PolarHBondContact NH1-OG 3.12Å; R827-S830 VanDerWaalsContact NH1-OG 3.13Å; R827-F859 WeakPolarHBondContact O-CE1 3.31Å; R827-L885 PolarHBondContact N-O 3.23Å |
| 828 | R | 91.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | trans | -72.8 | -43.6 | 175.7 | -172 | -80.5 | -53.1 | 152.2 | 14.7 | 110.9 | G809 T810 N831 V849 H857 F859 | G809-R828 PolarHBondContact O-NE 2.77Å; G809-R828 PolarHBondContact O-NH2 2.93Å; T810-R828 PolarHBondContact O-N 2.94Å; R828-N831 PolarHBondContact NH1-O 2.9Å; R828-N831 PolarHBondContact NH2-O 2.99Å; R828-V849 HydrophobicContact CG-CG1 4.36Å; R828-H857 PolarHBondContact O-CE1 2.83Å; R828-F859 HydrophobicContact CB-CZ 4.42Å | ||
| 829 | G | 87.9 | Confident | 91.6 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | trans | -173.1 | 176.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 830 | S | 85.1 | Confident | 91.8 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -75.4 | -38 | 177.3 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | R827 Y881 | R827-S830 VanDerWaalsContact NH1-CA 3.3Å; R827-S830 PolarHBondContact NH1-OG 3.12Å; R827-S830 VanDerWaalsContact NH1-OG 3.13Å; S830-Y881 PolarHBondContact OG-OH 2.85Å |
| 831 | N | 89.8 | Confident | 91.6 | Very high | 114 Ų | 114 | 41.2 Ų | 41.2 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -87.9 | 144.2 | -175.4 | -61.1 | -14 | 0 | 0 | 0 | 110.1 | R828 | R828-N831 PolarHBondContact NH1-O 2.9Å; R828-N831 PolarHBondContact NH2-O 2.99Å |
| 832 | P | 92.1 | Very high | 91.1 | Very high | 87 Ų | 87 | 41.3 Ų | 41.3 | 57% | 0.565 | 22% | 0.224 | S | C | * | . | trans | -53.5 | 148.1 | 170.2 | -25.3 | 34.6 | 0 | 0 | 0 | 112.8 | R808 K853 | R808-P832 WeakPolarHBondContact O-CA 3.39Å; R808-P832 WeakPolarHBondContact O-CB 3.49Å; P832-K853 WeakPolarHBondContact O-CE 3.18Å | ||
| 833 | A | 92.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | trans | -151.9 | 146.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R808 G809 I835 D852 K853 | R808-A833 PolarHBondContact O-N 3.02Å; G809-A833 WeakPolarHBondContact CA-O 3.29Å; A833-I835 PolarHBondContact O-N 3.49Å; A833-D852 WeakPolarHBondContact CA-OD1 3.39Å; A833-D852 WeakPolarHBondContact CB-OD1 3.48Å; A833-K853 HydrophobicContact CB-CG 3.88Å | ||
| 834 | S | 91.8 | Very high | 90.3 | Very high | 60 Ų | 60 | 38.6 Ų | 38.6 | 42% | 0.42 | 21% | 0.212 | S | C | . | . | trans | -72.6 | 120.3 | 168.2 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | S851 D852 | S834-S851 CarbonylContact O-C 3.51Å; S834-S851 WeakPolarHBondContact O-CA 3.48Å; S834-S851 VanDerWaalsContact O-CB 3.28Å; S834-S851 WeakPolarHBondContact O-CB 3.44Å; S834-D852 WeakPolarHBondContact CB-OD2 3.25Å; S834-D852 VanDerWaalsContact N-CG 3.29Å; S834-D852 PolarHBondContact N-OD1 2.76Å; S834-D852 PolarHBondContact N-OD2 2.6Å; S834-D852 PolarHBondContact O-N 3.31Å | ||
| 835 | I | 93.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.046 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.2 | 179.9 | -58.2 | -55.8 | 0 | 0 | 0 | 109.3 | C792 A805 I812 A833 I838 V849 | C792-I835 HydrophobicContact CB-CB 4.5Å; C792-I835 HydrophobicContact CB-CG2 4.02Å; A805-I835 HydrophobicContact CB-CB 4.24Å; A805-I835 HydrophobicContact CB-CG1 3.87Å; A805-I835 HydrophobicContact CB-CG2 4.3Å; I812-I835 HydrophobicContact CD1-CD1 4.41Å; I812-I835 HydrophobicContact CD1-CG1 4.38Å; A833-I835 PolarHBondContact O-N 3.49Å; I835-I838 HydrophobicContact CG2-CD1 4.14Å; I835-I838 HydrophobicContact CG2-CG1 3.81Å; I835-V849 HydrophobicContact CD1-CG1 4.1Å; I835-V849 HydrophobicContact CG2-CG1 4.07Å |
| 836 | Y | 90.2 | Very high | 90.1 | Very high | 53 Ų | 53 | 37.3 Ų | 37.3 | 21% | 0.208 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -42.9 | -178.8 | -60.9 | -38.3 | 0 | 0 | 0 | 113.1 | T850 S851 D852 Q898 C899 | Y836-T850 PolarHBondContact N-O 3.35Å; Y836-S851 VanDerWaalsContact CD2-C 3.49Å; Y836-S851 WeakPolarHBondContact CE2-O 3.28Å; Y836-D852 HydrophobicContact CE1-CB 4.41Å; Y836-D852 HydrophobicContact CE2-CB 4.19Å; Y836-D852 VanDerWaalsContact CE2-N 3.32Å; Y836-D852 WeakPolarHBondContact OH-CA 3.13Å; Y836-D852 VanDerWaalsContact OH-CB 3.25Å; Y836-D852 WeakPolarHBondContact OH-CB 3.47Å; Y836-Q898 HydrophobicContact CD1-CG 3.89Å; Y836-Q898 HydrophobicContact CD2-CB 4.43Å; Y836-Q898 HydrophobicContact CD2-CG 4.13Å; Y836-Q898 HydrophobicContact CE1-CB 4.31Å; Y836-Q898 HydrophobicContact CE1-CG 4.09Å; Y836-Q898 HydrophobicContact CE2-CB 4.17Å; Y836-Q898 HydrophobicContact CE2-CG 4.32Å; Y836-Q898 HydrophobicContact CG-CG 3.9Å; Y836-C899 WeakPolarHBondContact CB-O 3.45Å |
| 837 | S | 89.3 | Confident | 90.1 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.7 | -177.3 | -174.5 | 0 | 0 | 0 | 0 | 111.6 | V849 T850 | S837-V849 WeakPolarHBondContact O-CA 3.46Å; S837-T850 WeakPolarHBondContact CB-OG1 3.5Å; S837-T850 PolarHBondContact N-OG1 3.29Å; S837-T850 PolarHBondContact O-N 3.11Å |
| 838 | I | 93.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 122 | 168.8 | -59.6 | 173.9 | 0 | 0 | 0 | 107.2 | C792 S794 A803 A805 I812 I835 I847 S848 V849 | C792-I838 HydrophobicContact CB-CD1 3.79Å; C792-I838 HydrophobicContact CB-CG1 4.19Å; S794-I838 WeakPolarHBondContact CB-O 3.49Å; S794-I838 PolarHBondContact OG-O 3.33Å; A803-I838 HydrophobicContact CB-CG2 3.78Å; A805-I838 HydrophobicContact CB-CD1 3.8Å; I812-I838 HydrophobicContact CD1-CD1 4.07Å; I812-I838 HydrophobicContact CG2-CD1 4.11Å; I835-I838 HydrophobicContact CG2-CD1 4.14Å; I835-I838 HydrophobicContact CG2-CG1 3.81Å; I838-I847 HydrophobicContact CG2-CD1 3.21Å; I838-I847 HydrophobicContact CG2-CG1 3.61Å; I838-S848 CarbonylContact C-O 3.48Å; I838-S848 VanDerWaalsContact CA-O 3.31Å; I838-S848 WeakPolarHBondContact CA-O 3.44Å; I838-V849 HydrophobicContact CG1-CG1 4.4Å; I838-V849 HydrophobicContact CG1-CG2 4.34Å; I838-V849 HydrophobicContact CG2-CG2 4.5Å |
| 839 | R | 91 | Very high | 90.3 | Very high | 41 Ų | 41 | 34.9 Ų | 34.9 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.9 | 178.8 | -67 | -60.5 | -168.8 | 165.4 | 3.6 | 111.8 | V614 E616 I847 S848 C901 F903 | V614-R839 PolarHBondContact O-NH2 3.07Å; E616-R839 VanDerWaalsContact CA-NH1 3.33Å; E616-R839 PolarHBondContact O-NH1 3.12Å; R839-I847 CarbonylContact O-C 3.52Å; R839-I847 WeakPolarHBondContact O-CA 3.22Å; R839-I847 WeakPolarHBondContact O-CG1 3.31Å; R839-S848 PolarHBondContact N-O 3.2Å; R839-S848 PolarHBondContact O-N 3.45Å; R839-C901 WeakPolarHBondContact CG-O 3.32Å; R839-F903 WeakPolarHBondContact O-CE2 3.43Å |
| 840 | F | 91.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.057 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 150.5 | 167.3 | -69.6 | -88.8 | 0 | 0 | 0 | 110.2 | N796 L801 A803 I814 F846 I847 V861 F903 | N796-F840 HydrophobicContact CB-CB 3.99Å; N796-F840 HydrophobicContact CB-CD1 4.11Å; N796-F840 HydrophobicContact CB-CD2 3.81Å; N796-F840 HydrophobicContact CB-CE2 4.26Å; N796-F840 HydrophobicContact CB-CG 3.71Å; L801-F840 HydrophobicContact CB-CE1 4.03Å; L801-F840 HydrophobicContact CB-CZ 3.9Å; L801-F840 HydrophobicContact CD1-CE1 4.01Å; A803-F840 HydrophobicContact CB-CE2 3.67Å; A803-F840 HydrophobicContact CB-CZ 3.58Å; I814-F840 HydrophobicContact CG2-CE1 4.44Å; I814-F840 HydrophobicContact CG2-CZ 4.38Å; F840-F846 WeakPolarHBondContact CA-O 3.34Å; F840-I847 HydrophobicContact CD1-CB 4.48Å; F840-I847 HydrophobicContact CD1-CD1 4.49Å; F840-I847 HydrophobicContact CD1-CG1 4.47Å; F840-I847 HydrophobicContact CE1-CD1 4.12Å; F840-I847 HydrophobicContact CE2-CD1 4.31Å; F840-I847 HydrophobicContact CZ-CD1 4.03Å; F840-V861 HydrophobicContact CE1-CG2 4.41Å; F840-F903 VanDerWaalsContact C-CD2 3.48Å |
| 841 | N | 87.6 | Confident | 90.9 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 8% | 0.075 | 18% | 0.177 | C | C | . | . | trans | -76.3 | 169.2 | 164.7 | 80.1 | -33.7 | 0 | 0 | 0 | 111.1 | E843 S844 S845 F846 F903 | N841-E843 VanDerWaalsContact C-N 3.27Å; N841-E843 PolarHBondContact O-N 2.8Å; N841-S844 PolarHBondContact O-N 2.81Å; N841-S844 WeakPolarHBondContact OD1-CA 3.27Å; N841-S844 PolarHBondContact OD1-N 2.89Å; N841-S845 PolarHBondContact OD1-N 3Å; N841-F846 PolarHBondContact N-O 2.8Å; N841-F846 PolarHBondContact OD1-N 2.83Å; N841-F846 PolarHBondContact OD1-O 2.8Å; N841-F903 VanDerWaalsContact CA-CD2 3.43Å; N841-F903 HydrophobicContact CB-CB 3.93Å; N841-F903 HydrophobicContact CB-CD1 3.69Å; N841-F903 HydrophobicContact CB-CD2 3.55Å; N841-F903 HydrophobicContact CB-CE1 4.04Å; N841-F903 HydrophobicContact CB-CE2 3.89Å; N841-F903 HydrophobicContact CB-CG 3.43Å; N841-F903 VanDerWaalsContact CB-CG 3.43Å; N841-F903 HydrophobicContact CB-CZ 4.13Å; N841-F903 VanDerWaalsContact N-CD2 3.28Å | ||
| 842 | S | 81.3 | Confident | 91 | Very high | 68 Ų | 68 | 28.7 Ų | 28.7 | 48% | 0.476 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -42.5 | -178.3 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | S844 | S842-S844 VanDerWaalsContact C-N 3.27Å; S842-S844 PolarHBondContact O-N 3.11Å |
| 843 | E | 82.9 | Confident | 90.9 | Very high | 133 Ų | 133 | 29.2 Ų | 29.2 | 62% | 0.621 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.6 | -179.6 | -62.8 | -53.6 | 125 | 0 | 0 | 114.1 | N841 S845 | N841-E843 VanDerWaalsContact C-N 3.27Å; N841-E843 PolarHBondContact O-N 2.8Å; E843-S845 PolarHBondContact O-N 2.93Å; E843-S845 PolarHBondContact O-OG 2.84Å |
| 844 | S | 89.3 | Confident | 90.7 | Very high | 13 Ų | 13 | 29 Ų | 29 | 9% | 0.091 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 53.7 | 23.6 | -173.3 | -50.4 | 0 | 0 | 0 | 0 | 114.2 | N796 N841 S842 | N796-S844 WeakPolarHBondContact CB-OG 3.31Å; N796-S844 PolarHBondContact ND2-OG 3.05Å; N841-S844 PolarHBondContact O-N 2.81Å; N841-S844 WeakPolarHBondContact OD1-CA 3.27Å; N841-S844 PolarHBondContact OD1-N 2.89Å; S842-S844 VanDerWaalsContact C-N 3.27Å; S842-S844 PolarHBondContact O-N 3.11Å |
| 845 | S | 90.2 | Very high | 90.6 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 15% | 0.154 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -88.8 | -25.4 | -178.9 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | N841 E843 V861 K862 | N841-S845 PolarHBondContact OD1-N 3Å; E843-S845 PolarHBondContact O-N 2.93Å; E843-S845 PolarHBondContact O-OG 2.84Å; S845-V861 PolarHBondContact O-N 2.87Å; S845-K862 PolarHBondContact O-N 2.81Å |
| 846 | F | 93 | Very high | 90.5 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 11% | 0.114 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 156.1 | 178.4 | -63.1 | -83.9 | 0 | 0 | 0 | 111.1 | F840 N841 V858 F859 A860 L866 F903 Y923 V925 | F840-F846 WeakPolarHBondContact CA-O 3.34Å; N841-F846 PolarHBondContact N-O 2.8Å; N841-F846 PolarHBondContact OD1-N 2.83Å; N841-F846 PolarHBondContact OD1-O 2.8Å; F846-V858 HydrophobicContact CB-CG1 4.26Å; F846-V858 HydrophobicContact CD1-CG1 4.15Å; F846-F859 CarbonylContact C-O 3.52Å; F846-F859 WeakPolarHBondContact CA-O 3.31Å; F846-A860 HydrophobicContact CD1-CB 4.06Å; F846-A860 HydrophobicContact CE1-CB 3.83Å; F846-L866 HydrophobicContact CZ-CD1 4.44Å; F846-F903 HydrophobicContact CB-CE1 3.93Å; F846-F903 HydrophobicContact CB-CZ 3.7Å; F846-Y923 HydrophobicContact CD1-CE2 4.42Å; F846-Y923 HydrophobicContact CD2-CE2 4.1Å; F846-Y923 HydrophobicContact CE2-CE2 4.31Å; F846-Y923 HydrophobicContact CG-CE2 4.17Å; F846-V925 HydrophobicContact CZ-CG2 4.32Å |
| 847 | I | 94.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 137.1 | 172.8 | -164.3 | 175.1 | 0 | 0 | 0 | 109.9 | A803 I814 I838 R839 F840 V858 F859 V861 | A803-I847 HydrophobicContact CB-CD1 3.33Å; I814-I847 HydrophobicContact CD1-CD1 4.46Å; I814-I847 HydrophobicContact CD1-CG2 4.35Å; I814-I847 HydrophobicContact CG1-CD1 4.36Å; I838-I847 HydrophobicContact CG2-CD1 3.21Å; I838-I847 HydrophobicContact CG2-CG1 3.61Å; R839-I847 CarbonylContact O-C 3.52Å; R839-I847 WeakPolarHBondContact O-CA 3.22Å; R839-I847 WeakPolarHBondContact O-CG1 3.31Å; F840-I847 HydrophobicContact CD1-CB 4.48Å; F840-I847 HydrophobicContact CD1-CD1 4.49Å; F840-I847 HydrophobicContact CD1-CG1 4.47Å; F840-I847 HydrophobicContact CE1-CD1 4.12Å; F840-I847 HydrophobicContact CE2-CD1 4.31Å; F840-I847 HydrophobicContact CZ-CD1 4.03Å; I847-V858 WeakPolarHBondContact O-CA 3.43Å; I847-F859 HydrophobicContact CG2-CB 3.72Å; I847-F859 HydrophobicContact CG2-CD2 4.05Å; I847-F859 HydrophobicContact CG2-CG 4.34Å; I847-F859 PolarHBondContact N-O 3.12Å; I847-F859 PolarHBondContact O-N 3.21Å; I847-V861 HydrophobicContact CB-CG2 3.87Å; I847-V861 HydrophobicContact CG2-CG2 3.77Å |
| 848 | S | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 142 | 175.8 | 64.2 | 0 | 0 | 0 | 0 | 110.3 | I838 R839 H857 C901 | I838-S848 CarbonylContact C-O 3.48Å; I838-S848 VanDerWaalsContact CA-O 3.31Å; I838-S848 WeakPolarHBondContact CA-O 3.44Å; R839-S848 PolarHBondContact N-O 3.2Å; R839-S848 PolarHBondContact O-N 3.45Å; S848-H857 CarbonylContact C-O 3.52Å; S848-H857 VanDerWaalsContact CA-O 3.24Å; S848-H857 WeakPolarHBondContact CA-O 3.18Å; S848-C901 PolarHBondContact OG-SG 3.46Å |
| 849 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | I812 R828 I835 S837 I838 H857 F859 | I812-V849 HydrophobicContact CD1-CG1 4.07Å; I812-V849 HydrophobicContact CG1-CG1 4.39Å; I812-V849 HydrophobicContact CG1-CG2 4.18Å; R828-V849 HydrophobicContact CG-CG1 4.36Å; I835-V849 HydrophobicContact CD1-CG1 4.1Å; I835-V849 HydrophobicContact CG2-CG1 4.07Å; S837-V849 WeakPolarHBondContact O-CA 3.46Å; I838-V849 HydrophobicContact CG1-CG1 4.4Å; I838-V849 HydrophobicContact CG1-CG2 4.34Å; I838-V849 HydrophobicContact CG2-CG2 4.5Å; V849-H857 HydrophobicContact CB-CB 4.38Å; V849-H857 PolarHBondContact N-O 3.33Å; V849-H857 PolarHBondContact O-N 2.66Å; V849-F859 HydrophobicContact CB-CE2 4.18Å; V849-F859 HydrophobicContact CG2-CD2 4.07Å; V849-F859 HydrophobicContact CG2-CE2 3.77Å |
| 850 | T | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.6 | 172.1 | 49.7 | 0 | 0 | 0 | 0 | 111.4 | Y836 S837 V856 C899 C901 | Y836-T850 PolarHBondContact N-O 3.35Å; S837-T850 WeakPolarHBondContact CB-OG1 3.5Å; S837-T850 PolarHBondContact N-OG1 3.29Å; S837-T850 PolarHBondContact O-N 3.11Å; T850-V856 HydrophobicContact CG2-CG1 4.46Å; T850-V856 HydrophobicContact CG2-CG2 3.92Å; T850-C899 PolarHBondContact OG1-O 2.91Å; T850-C901 HydrophobicContact CG2-CB 3.7Å |
| 851 | S | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 171 | -177.5 | 66 | 0 | 0 | 0 | 0 | 112.6 | S834 Y836 K853 G854 | S834-S851 CarbonylContact O-C 3.51Å; S834-S851 WeakPolarHBondContact O-CA 3.48Å; S834-S851 VanDerWaalsContact O-CB 3.28Å; S834-S851 WeakPolarHBondContact O-CB 3.44Å; Y836-S851 VanDerWaalsContact CD2-C 3.49Å; Y836-S851 WeakPolarHBondContact CE2-O 3.28Å; S851-K853 PolarHBondContact O-N 3.02Å; S851-G854 PolarHBondContact O-N 2.76Å |
| 852 | D | 91.4 | Very high | 91.2 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.251 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -1.1 | 174.7 | 69 | 5.3 | 0 | 0 | 0 | 115.8 | A833 S834 Y836 G854 | A833-D852 WeakPolarHBondContact CA-OD1 3.39Å; A833-D852 WeakPolarHBondContact CB-OD1 3.48Å; S834-D852 WeakPolarHBondContact CB-OD2 3.25Å; S834-D852 VanDerWaalsContact N-CG 3.29Å; S834-D852 PolarHBondContact N-OD1 2.76Å; S834-D852 PolarHBondContact N-OD2 2.6Å; S834-D852 PolarHBondContact O-N 3.31Å; Y836-D852 HydrophobicContact CE1-CB 4.41Å; Y836-D852 HydrophobicContact CE2-CB 4.19Å; Y836-D852 VanDerWaalsContact CE2-N 3.32Å; Y836-D852 WeakPolarHBondContact OH-CA 3.13Å; Y836-D852 VanDerWaalsContact OH-CB 3.25Å; Y836-D852 WeakPolarHBondContact OH-CB 3.47Å; D852-G854 VanDerWaalsContact C-N 3.3Å |
| 853 | K | 90.1 | Very high | 91.5 | Very high | 97 Ų | 97 | 28.7 Ų | 28.7 | 42% | 0.422 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 16.5 | 175.8 | -55.7 | -54.5 | 176.8 | -164.2 | 0 | 113.2 | P832 A833 S851 T855 | P832-K853 WeakPolarHBondContact O-CE 3.18Å; A833-K853 HydrophobicContact CB-CG 3.88Å; S851-K853 PolarHBondContact O-N 3.02Å; K853-T855 WeakPolarHBondContact O-CG2 3.29Å; K853-T855 PolarHBondContact O-N 2.8Å; K853-T855 VanDerWaalsContact O-N 3.08Å; K853-T855 PolarHBondContact O-OG1 3.27Å |
| 854 | G | 87.9 | Confident | 91.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 32.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S851 D852 S892 L893 D896 | S851-G854 PolarHBondContact O-N 2.76Å; D852-G854 VanDerWaalsContact C-N 3.3Å; G854-S892 CarbonylContact O-C 3.48Å; G854-S892 WeakPolarHBondContact O-CA 3.33Å; G854-L893 PolarHBondContact O-N 3.41Å; G854-D896 VanDerWaalsContact CA-OD1 3.27Å; G854-D896 WeakPolarHBondContact CA-OD1 3.47Å; G854-D896 PolarHBondContact N-OD1 3.21Å; G854-D896 VanDerWaalsContact N-OD1 3.11Å |
| 855 | T | 90.6 | Very high | 91.6 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.049 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 139.5 | -173.8 | 44.6 | 0 | 0 | 0 | 0 | 112.5 | K853 H857 Y891 | K853-T855 WeakPolarHBondContact O-CG2 3.29Å; K853-T855 PolarHBondContact O-N 2.8Å; K853-T855 VanDerWaalsContact O-N 3.08Å; K853-T855 PolarHBondContact O-OG1 3.27Å; T855-H857 PolarHBondContact OG1-NE2 2.84Å; T855-Y891 WeakPolarHBondContact CA-O 3.33Å |
| 856 | V | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.3 | 176 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | T850 K890 Y891 L893 V911 L921 | T850-V856 HydrophobicContact CG2-CG1 4.46Å; T850-V856 HydrophobicContact CG2-CG2 3.92Å; V856-K890 CarbonylContact O-C 3.54Å; V856-K890 VanDerWaalsContact O-CA 3.32Å; V856-K890 WeakPolarHBondContact O-CA 3.41Å; V856-Y891 PolarHBondContact N-O 2.9Å; V856-Y891 PolarHBondContact O-N 3.45Å; V856-L893 HydrophobicContact CG2-CD1 4.05Å; V856-L893 HydrophobicContact CG2-CD2 4.23Å; V856-L893 HydrophobicContact CG2-CG 4.1Å; V856-V911 HydrophobicContact CG1-CG2 4.43Å; V856-V911 HydrophobicContact CG2-CG1 4.26Å; V856-V911 HydrophobicContact CG2-CG2 3.85Å; V856-L921 HydrophobicContact CB-CD1 4.48Å; V856-L921 HydrophobicContact CG1-CD1 4.48Å; V856-L921 HydrophobicContact CG2-CD1 4.37Å |
| 857 | H | 94.4 | Very high | 91.3 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.5 | 179.2 | -70.9 | -105.1 | 0 | 0 | 0 | 110.6 | R828 S848 V849 T855 F859 A887 | R828-H857 PolarHBondContact O-CE1 2.83Å; S848-H857 CarbonylContact C-O 3.52Å; S848-H857 VanDerWaalsContact CA-O 3.24Å; S848-H857 WeakPolarHBondContact CA-O 3.18Å; V849-H857 HydrophobicContact CB-CB 4.38Å; V849-H857 PolarHBondContact N-O 3.33Å; V849-H857 PolarHBondContact O-N 2.66Å; T855-H857 PolarHBondContact OG1-NE2 2.84Å; H857-F859 HydrophobicContact CB-CD2 4.36Å; H857-F859 HydrophobicContact CB-CE2 3.52Å; H857-F859 HydrophobicContact CB-CZ 3.82Å; H857-A887 HydrophobicContact CB-CB 3.96Å |
| 858 | V | 94.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.9 | 175 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | F846 I847 A887 T888 A889 F903 L909 Y923 | F846-V858 HydrophobicContact CB-CG1 4.26Å; F846-V858 HydrophobicContact CD1-CG1 4.15Å; I847-V858 WeakPolarHBondContact O-CA 3.43Å; V858-A887 CarbonylContact O-C 3.59Å; V858-A887 WeakPolarHBondContact O-CA 2.92Å; V858-T888 PolarHBondContact O-N 2.73Å; V858-A889 HydrophobicContact CB-CB 4.2Å; V858-A889 HydrophobicContact CG2-CB 4.37Å; V858-A889 PolarHBondContact N-O 3.34Å; V858-A889 PolarHBondContact O-N 3.19Å; V858-F903 HydrophobicContact CG1-CE1 4.34Å; V858-F903 HydrophobicContact CG1-CZ 4.33Å; V858-L909 HydrophobicContact CG2-CD1 3.24Å; V858-Y923 HydrophobicContact CG1-CD2 4.07Å; V858-Y923 HydrophobicContact CG1-CE2 4.35Å; V858-Y923 HydrophobicContact CG1-CG 4.39Å |
| 859 | F | 95.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.5 | 177.5 | -51.9 | -94.9 | 0 | 0 | 0 | 110.5 | V826 R827 R828 F846 I847 V849 H857 N867 A887 | V826-F859 HydrophobicContact CB-CB 4.49Å; V826-F859 HydrophobicContact CB-CD1 3.49Å; V826-F859 VanDerWaalsContact CB-CD1 3.49Å; V826-F859 HydrophobicContact CB-CE1 3.74Å; V826-F859 HydrophobicContact CB-CG 4.02Å; V826-F859 HydrophobicContact CB-CZ 4.46Å; V826-F859 HydrophobicContact CG1-CB 4.26Å; V826-F859 HydrophobicContact CG1-CD1 3.97Å; V826-F859 HydrophobicContact CG1-CG 4.31Å; V826-F859 HydrophobicContact CG2-CB 4.22Å; V826-F859 HydrophobicContact CG2-CD1 3.61Å; V826-F859 HydrophobicContact CG2-CD2 3.94Å; V826-F859 HydrophobicContact CG2-CE1 3.81Å; V826-F859 HydrophobicContact CG2-CE2 4.13Å; V826-F859 HydrophobicContact CG2-CG 3.67Å; V826-F859 HydrophobicContact CG2-CZ 4.07Å; R827-F859 WeakPolarHBondContact O-CE1 3.31Å; R828-F859 HydrophobicContact CB-CZ 4.42Å; F846-F859 CarbonylContact C-O 3.52Å; F846-F859 WeakPolarHBondContact CA-O 3.31Å; I847-F859 HydrophobicContact CG2-CB 3.72Å; I847-F859 HydrophobicContact CG2-CD2 4.05Å; I847-F859 HydrophobicContact CG2-CG 4.34Å; I847-F859 PolarHBondContact N-O 3.12Å; I847-F859 PolarHBondContact O-N 3.21Å; V849-F859 HydrophobicContact CB-CE2 4.18Å; V849-F859 HydrophobicContact CG2-CD2 4.07Å; V849-F859 HydrophobicContact CG2-CE2 3.77Å; H857-F859 HydrophobicContact CB-CD2 4.36Å; H857-F859 HydrophobicContact CB-CE2 3.52Å; H857-F859 HydrophobicContact CB-CZ 3.82Å; F859-N867 WeakPolarHBondContact CA-OD1 3.41Å; F859-A887 VanDerWaalsContact CD1-CA 3.42Å; F859-A887 HydrophobicContact CD1-CB 4.02Å; F859-A887 VanDerWaalsContact CE1-CA 3.45Å; F859-A887 HydrophobicContact CE1-CB 3.71Å; F859-A887 HydrophobicContact CE2-CB 4.5Å; F859-A887 HydrophobicContact CZ-CB 3.97Å |
| 860 | A | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 129.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L824 F846 D863 L866 N867 | L824-A860 WeakPolarHBondContact CD2-O 3.21Å; F846-A860 HydrophobicContact CD1-CB 4.06Å; F846-A860 HydrophobicContact CE1-CB 3.83Å; A860-D863 VanDerWaalsContact CB-O 3.23Å; A860-D863 WeakPolarHBondContact CB-O 3.29Å; A860-L866 HydrophobicContact CB-CB 3.67Å; A860-L866 HydrophobicContact CB-CD1 4.08Å; A860-L866 HydrophobicContact CB-CG 4.43Å; A860-N867 PolarHBondContact N-OD1 3.36Å; A860-N867 PolarHBondContact O-ND2 2.82Å |
| 861 | V | 92.6 | Very high | 87.5 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 11% | 0.109 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -102.2 | -44.8 | -179 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L801 I814 F840 S845 I847 | L801-V861 HydrophobicContact CD1-CG1 4.04Å; I814-V861 HydrophobicContact CD1-CG1 4.19Å; I814-V861 HydrophobicContact CD1-CG2 3.8Å; I814-V861 HydrophobicContact CG2-CG1 4.19Å; F840-V861 HydrophobicContact CE1-CG2 4.41Å; S845-V861 PolarHBondContact O-N 2.87Å; I847-V861 HydrophobicContact CB-CG2 3.87Å; I847-V861 HydrophobicContact CG2-CG2 3.77Å |
| 862 | K | 88.3 | Confident | 85.7 | Confident | 161 Ų | 161 | 53.8 Ų | 53.8 | 70% | 0.7 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -77 | -36.9 | -175 | -173.9 | 175.7 | -177.8 | 179.8 | 0 | 112.8 | S845 | S845-K862 PolarHBondContact O-N 2.81Š|
| 863 | D | 87.1 | Confident | 83.7 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | trans | -119.3 | 95.3 | 171.1 | -175.4 | 3.1 | 0 | 0 | 0 | 110 | A860 N865 L866 | A860-D863 VanDerWaalsContact CB-O 3.23Å; A860-D863 WeakPolarHBondContact CB-O 3.29Å; D863-N865 PolarHBondContact O-N 3.34Å; D863-N865 VanDerWaalsContact O-N 3.13Å; D863-N865 VanDerWaalsContact OD1-CB 3.29Å; D863-N865 WeakPolarHBondContact OD1-CB 3.49Å; D863-N865 PolarHBondContact OD1-N 3.09Å; D863-N865 PolarHBondContact OD1-ND2 3.17Å; D863-L866 HydrophobicContact CB-CD1 3.95Å; D863-L866 HydrophobicContact CB-CG 4.11Å; D863-L866 PolarHBondContact O-N 3.46Å | ||
| 864 | P | 87.1 | Confident | 82.1 | Confident | 47 Ų | 47 | 60 Ų | 60 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -59.6 | -19.9 | 178.7 | -27 | 36.6 | 0 | 0 | 0 | 114.6 | L824 L866 N867 L885 | L824-P864 HydrophobicContact CD1-CB 3.93Å; L824-P864 HydrophobicContact CD1-CG 3.96Å; P864-L866 PolarHBondContact O-N 3.01Å; P864-N867 WeakPolarHBondContact O-CB 3.39Å; P864-N867 PolarHBondContact O-N 2.89Å; P864-N867 PolarHBondContact O-ND2 2.8Å; P864-L885 HydrophobicContact CB-CD1 4.31Å |
| 865 | N | 86.5 | Confident | 80.6 | Confident | 122 Ų | 122 | 65 Ų | 65 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -70.7 | -20.2 | -177.6 | -58.3 | -53.1 | 0 | 0 | 0 | 113 | D863 N867 | D863-N865 PolarHBondContact O-N 3.34Å; D863-N865 VanDerWaalsContact O-N 3.13Å; D863-N865 VanDerWaalsContact OD1-CB 3.29Å; D863-N865 WeakPolarHBondContact OD1-CB 3.49Å; D863-N865 PolarHBondContact OD1-N 3.09Å; D863-N865 PolarHBondContact OD1-ND2 3.17Å; N865-N867 PolarHBondContact O-N 2.62Å |
| 866 | L | 87.6 | Confident | 78.8 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -73.3 | -15.5 | 174.8 | -60.6 | 175.3 | 0 | 0 | 0 | 112.5 | F846 A860 D863 P864 T888 V925 | F846-L866 HydrophobicContact CZ-CD1 4.44Å; A860-L866 HydrophobicContact CB-CB 3.67Å; A860-L866 HydrophobicContact CB-CD1 4.08Å; A860-L866 HydrophobicContact CB-CG 4.43Å; D863-L866 HydrophobicContact CB-CD1 3.95Å; D863-L866 HydrophobicContact CB-CG 4.11Å; D863-L866 PolarHBondContact O-N 3.46Å; P864-L866 PolarHBondContact O-N 3.01Å; L866-T888 VanDerWaalsContact C-OG1 3.3Å; L866-T888 WeakPolarHBondContact O-CB 3.27Å; L866-T888 VanDerWaalsContact O-CG2 3.32Å; L866-T888 WeakPolarHBondContact O-CG2 3.39Å; L866-T888 PolarHBondContact O-OG1 3.04Å; L866-V925 HydrophobicContact CD1-CG1 3.72Å; L866-V925 HydrophobicContact CD2-CG1 3.39Å; L866-V925 HydrophobicContact CG-CG1 4.09Å |
| 867 | N | 89.8 | Confident | 76.6 | Confident | 6 Ų | 6 | 72 Ų | 72 | 3% | 0.032 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -78.4 | 138.2 | 176 | -64.1 | -57.3 | 0 | 0 | 0 | 110.1 | F859 A860 P864 N865 L885 W886 T888 | F859-N867 WeakPolarHBondContact CA-OD1 3.41Å; A860-N867 PolarHBondContact N-OD1 3.36Å; A860-N867 PolarHBondContact O-ND2 2.82Å; P864-N867 WeakPolarHBondContact O-CB 3.39Å; P864-N867 PolarHBondContact O-N 2.89Å; P864-N867 PolarHBondContact O-ND2 2.8Å; N865-N867 PolarHBondContact O-N 2.62Å; N867-L885 HydrophobicContact CB-CB 4.03Å; N867-L885 HydrophobicContact CB-CD2 4.21Å; N867-W886 WeakPolarHBondContact CB-O 3.2Å; N867-T888 PolarHBondContact OD1-OG1 3.35Å |
| 868 | R | 84.6 | Confident | 74.2 | Confident | 140 Ų | 140 | 79.6 Ų | 79.6 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 142.1 | 179.1 | -61.6 | -178.9 | -169.2 | -164.8 | 2.2 | 109.6 | W886 T888 G927 | R868-W886 HydrophobicContact CB-CB 4.19Å; R868-W886 PolarHBondContact N-O 3.37Å; R868-W886 VanDerWaalsContact N-O 3.12Å; R868-W886 WeakPolarHBondContact O-CB 3.31Å; R868-W886 PolarHBondContact O-N 2.97Å; R868-T888 PolarHBondContact NE-O 3.33Å; R868-T888 PolarHBondContact NH2-O 2.84Å; R868-G927 PolarHBondContact NH2-O 3.37Å |
| 869 | R | 82 | Confident | 72.3 | Confident | 132 Ų | 132 | 81.1 Ų | 81.1 | 50% | 0.498 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 158 | 170.3 | -66.6 | -174.7 | -177.9 | -157.2 | 0.6 | 110.1 | H873 L885 | R869-H873 PolarHBondContact NH1-NE2 2.81Å; R869-L885 HydrophobicContact CG-CD2 4.04Å |
| 870 | S | 72 | Confident | 70.5 | Confident | 11 Ų | 11 | 85.6 Ų | 85.6 | 8% | 0.077 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 148.8 | 175.9 | 76.8 | 0 | 0 | 0 | 0 | 111.6 | F872 H873 V882 | S870-F872 PolarHBondContact O-N 3.07Å; S870-H873 WeakPolarHBondContact O-CB 3.48Å; S870-H873 PolarHBondContact O-N 2.94Å; S870-V882 VanDerWaalsContact OG-CA 3.3Å; S870-V882 WeakPolarHBondContact OG-CA 3.45Å; S870-V882 PolarHBondContact OG-O 2.6Å |
| 871 | T | 58.1 | Low | 68.5 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -61.8 | -32.2 | 176.5 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | H873 K874 | T871-H873 PolarHBondContact O-N 2.75Å; T871-K874 WeakPolarHBondContact O-CB 3.37Å; T871-K874 PolarHBondContact O-N 3.2Å |
| 872 | F | 54.1 | Low | 66.6 | Low | 107 Ų | 107 | 90 Ų | 90 | 47% | 0.469 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -63.6 | -20.3 | 178.2 | -63.4 | -73.1 | 0 | 0 | 0 | 113.7 | S870 K874 V875 I877 V882 | S870-F872 PolarHBondContact O-N 3.07Å; F872-K874 PolarHBondContact O-N 2.83Å; F872-V875 PolarHBondContact O-N 3.13Å; F872-I877 HydrophobicContact CD1-CD1 4.18Å; F872-V882 VanDerWaalsContact C-CG1 3.47Å; F872-V882 HydrophobicContact CB-CG1 4.06Å; F872-V882 HydrophobicContact CB-CG2 3.93Å |
| 873 | H | 50.6 | Low | 65.6 | Low | 85 Ų | 85 | 88.3 Ų | 88.3 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -64.6 | -27 | 172.7 | -177.1 | -63.8 | 0 | 0 | 0 | 111.2 | R869 S870 T871 V875 V882 | R869-H873 PolarHBondContact NH1-NE2 2.81Å; S870-H873 WeakPolarHBondContact O-CB 3.48Å; S870-H873 PolarHBondContact O-N 2.94Å; T871-H873 PolarHBondContact O-N 2.75Å; H873-V875 PolarHBondContact O-N 2.98Å; H873-V882 HydrophobicContact CB-CG1 3.75Å |
| 874 | K | 56.3 | Low | 65.2 | Low | 191 Ų | 191 | 85.8 Ų | 85.8 | 83% | 0.83 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -73.1 | -18.4 | 174.6 | -62 | -175.7 | 175.9 | -176.4 | 0 | 112.9 | T871 F872 | T871-K874 WeakPolarHBondContact O-CB 3.37Å; T871-K874 PolarHBondContact O-N 3.2Å; F872-K874 PolarHBondContact O-N 2.83Å |
| 875 | V | 56.4 | Low | 65.2 | Low | 104 Ų | 104 | 84.5 Ų | 84.5 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -101.5 | 3.9 | -174.3 | -164.5 | 0 | 0 | 0 | 0 | 111.7 | F872 H873 I877 | F872-V875 PolarHBondContact O-N 3.13Å; H873-V875 PolarHBondContact O-N 2.98Å; V875-I877 VanDerWaalsContact C-N 3.27Å; V875-I877 PolarHBondContact O-N 2.69Å |
| 876 | G | 51.5 | Low | 65.3 | Low | 63 Ų | 63 | 81.5 Ų | 81.5 | 65% | 0.649 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 9.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | M878 | G876-M878 PolarHBondContact O-N 2.68Š|
| 877 | I | 46.2 | Very low | 65.3 | Low | 92 Ų | 92 | 79.3 Ų | 79.3 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | trans | -72.5 | 121.1 | 176.1 | -61 | 175.6 | 0 | 0 | 0 | 108.8 | F872 V875 V882 | F872-I877 HydrophobicContact CD1-CD1 4.18Å; V875-I877 VanDerWaalsContact C-N 3.27Å; V875-I877 PolarHBondContact O-N 2.69Å; I877-V882 HydrophobicContact CB-CG2 4.44Å; I877-V882 HydrophobicContact CG2-CG2 4.24Å; I877-V882 WeakPolarHBondContact O-CB 3.22Å; I877-V882 WeakPolarHBondContact O-CG1 3.47Å; I877-V882 WeakPolarHBondContact O-CG2 3.44Å | ||
| 878 | M | 44.1 | Very low | 65.3 | Low | 169 Ų | 169 | 79.2 Ų | 79.2 | 83% | 0.833 | 41% | 0.414 | S | S | * | . | trans | -84.9 | 137.4 | 177.1 | -62.5 | -170 | 81.8 | 0 | 0 | 111.3 | G876 | G876-M878 PolarHBondContact O-N 2.68Š| ||
| 879 | G | 56.1 | Low | 65.6 | Low | 34 Ų | 34 | 72.7 Ų | 72.7 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 163.7 | 153 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y881 V882 E883 | G879-Y881 PolarHBondContact O-N 2.87Å; G879-V882 WeakPolarHBondContact O-CB 3.32Å; G879-V882 PolarHBondContact O-N 3.41Å; G879-E883 PolarHBondContact O-N 2.84Å |
| 880 | A | 56.9 | Low | 66 | Low | 94 Ų | 94 | 71.7 Ų | 71.7 | 78% | 0.777 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 881 | Y | 51.3 | Low | 67 | Low | 97 Ų | 97 | 73 Ų | 73 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -37.7 | 173.4 | -171.4 | -82.7 | 0 | 0 | 0 | 112.2 | S830 G879 S884 W886 | S830-Y881 PolarHBondContact OG-OH 2.85Å; G879-Y881 PolarHBondContact O-N 2.87Å; Y881-S884 WeakPolarHBondContact O-CB 3.43Å; Y881-S884 PolarHBondContact O-N 3.24Å; Y881-S884 PolarHBondContact O-OG 2.95Å; Y881-W886 HydrophobicContact CE1-CZ2 4.15Å; Y881-W886 HydrophobicContact CE2-CZ2 4.39Å; Y881-W886 AromaticContact CZ-CZ2 3.74Å; Y881-W886 WeakPolarHBondContact OH-CH2 3.46Å; Y881-W886 WeakPolarHBondContact OH-CZ2 3.08Å |
| 882 | V | 52.2 | Low | 68.6 | Low | 13 Ų | 13 | 71.5 Ų | 71.5 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -35.8 | -173 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | S870 F872 H873 I877 G879 S884 | S870-V882 VanDerWaalsContact OG-CA 3.3Å; S870-V882 WeakPolarHBondContact OG-CA 3.45Å; S870-V882 PolarHBondContact OG-O 2.6Å; F872-V882 VanDerWaalsContact C-CG1 3.47Å; F872-V882 HydrophobicContact CB-CG1 4.06Å; F872-V882 HydrophobicContact CB-CG2 3.93Å; H873-V882 HydrophobicContact CB-CG1 3.75Å; I877-V882 HydrophobicContact CB-CG2 4.44Å; I877-V882 HydrophobicContact CG2-CG2 4.24Å; I877-V882 WeakPolarHBondContact O-CB 3.22Å; I877-V882 WeakPolarHBondContact O-CG1 3.47Å; I877-V882 WeakPolarHBondContact O-CG2 3.44Å; G879-V882 WeakPolarHBondContact O-CB 3.32Å; G879-V882 PolarHBondContact O-N 3.41Å; V882-S884 PolarHBondContact O-N 3Å |
| 883 | E | 67.8 | Low | 70.2 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.2 | 176.4 | -64.3 | -179.8 | 177.2 | 0 | 0 | 114 | G879 | G879-E883 PolarHBondContact O-N 2.84Š|
| 884 | S | 78.7 | Confident | 71.5 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 138.8 | -174.6 | 64.4 | 0 | 0 | 0 | 0 | 113.3 | Y881 V882 W886 | Y881-S884 WeakPolarHBondContact O-CB 3.43Å; Y881-S884 PolarHBondContact O-N 3.24Å; Y881-S884 PolarHBondContact O-OG 2.95Å; V882-S884 PolarHBondContact O-N 3Å; S884-W886 PolarHBondContact OG-NE1 2.84Å |
| 885 | L | 86.3 | Confident | 72.5 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121 | 175.4 | -63.4 | 175.9 | 0 | 0 | 0 | 110.1 | L824 V826 R827 P864 N867 R869 | L824-L885 HydrophobicContact CD1-CD1 3.37Å; L824-L885 HydrophobicContact CG-CD1 4.26Å; V826-L885 CarbonylContact C-O 3.6Å; V826-L885 WeakPolarHBondContact CA-O 3.46Å; V826-L885 HydrophobicContact CG1-CB 4.15Å; R827-L885 PolarHBondContact N-O 3.23Å; P864-L885 HydrophobicContact CB-CD1 4.31Å; N867-L885 HydrophobicContact CB-CB 4.03Å; N867-L885 HydrophobicContact CB-CD2 4.21Å; R869-L885 HydrophobicContact CG-CD2 4.04Å |
| 886 | W | 88.3 | Confident | 73.6 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 162.6 | -178.9 | -63.1 | 71.8 | 0 | 0 | 0 | 110.7 | N867 R868 Y881 S884 T888 | N867-W886 WeakPolarHBondContact CB-O 3.2Å; R868-W886 HydrophobicContact CB-CB 4.19Å; R868-W886 PolarHBondContact N-O 3.37Å; R868-W886 VanDerWaalsContact N-O 3.12Å; R868-W886 WeakPolarHBondContact O-CB 3.31Å; R868-W886 PolarHBondContact O-N 2.97Å; Y881-W886 HydrophobicContact CE1-CZ2 4.15Å; Y881-W886 HydrophobicContact CE2-CZ2 4.39Å; Y881-W886 AromaticContact CZ-CZ2 3.74Å; Y881-W886 WeakPolarHBondContact OH-CH2 3.46Å; Y881-W886 WeakPolarHBondContact OH-CZ2 3.08Å; S884-W886 PolarHBondContact OG-NE1 2.84Å; W886-T888 PolarHBondContact O-N 3.35Å |
| 887 | A | 87.5 | Confident | 75.1 | Confident | 9 Ų | 9 | 61.4 Ų | 61.4 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -54.6 | 133.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H857 V858 F859 | H857-A887 HydrophobicContact CB-CB 3.96Å; V858-A887 CarbonylContact O-C 3.59Å; V858-A887 WeakPolarHBondContact O-CA 2.92Å; F859-A887 VanDerWaalsContact CD1-CA 3.42Å; F859-A887 HydrophobicContact CD1-CB 4.02Å; F859-A887 VanDerWaalsContact CE1-CA 3.45Å; F859-A887 HydrophobicContact CE1-CB 3.71Å; F859-A887 HydrophobicContact CE2-CB 4.5Å; F859-A887 HydrophobicContact CZ-CB 3.97Å |
| 888 | T | 89.6 | Confident | 77 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -59.7 | -51.5 | 171 | -59.2 | 0 | 0 | 0 | 0 | 109.1 | V858 L866 N867 R868 W886 V925 G927 | V858-T888 PolarHBondContact O-N 2.73Å; L866-T888 VanDerWaalsContact C-OG1 3.3Å; L866-T888 WeakPolarHBondContact O-CB 3.27Å; L866-T888 VanDerWaalsContact O-CG2 3.32Å; L866-T888 WeakPolarHBondContact O-CG2 3.39Å; L866-T888 PolarHBondContact O-OG1 3.04Å; N867-T888 PolarHBondContact OD1-OG1 3.35Å; R868-T888 PolarHBondContact NE-O 3.33Å; R868-T888 PolarHBondContact NH2-O 2.84Å; W886-T888 PolarHBondContact O-N 3.35Å; T888-V925 WeakPolarHBondContact CG2-O 3.47Å; T888-G927 CarbonylContact O-C 3.59Å; T888-G927 WeakPolarHBondContact O-CA 3.24Å |
| 889 | A | 90.8 | Very high | 79 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V858 C929 | V858-A889 HydrophobicContact CB-CB 4.2Å; V858-A889 HydrophobicContact CG2-CB 4.37Å; V858-A889 PolarHBondContact N-O 3.34Å; V858-A889 PolarHBondContact O-N 3.19Å; A889-C929 HydrophobicContact CB-CB 4.14Å |
| 890 | K | 91.8 | Very high | 80.5 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 48% | 0.483 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.1 | 179.7 | -177.4 | -172.3 | 175.6 | -169.9 | 0 | 109.6 | V856 C929 | V856-K890 CarbonylContact O-C 3.54Å; V856-K890 VanDerWaalsContact O-CA 3.32Å; V856-K890 WeakPolarHBondContact O-CA 3.41Å; K890-C929 WeakPolarHBondContact O-CB 3.48Å |
| 891 | Y | 92.7 | Very high | 81.9 | Confident | 40 Ų | 40 | 48.8 Ų | 48.8 | 16% | 0.157 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.4 | 170 | -171.2 | -96.8 | 0 | 0 | 0 | 110 | T855 V856 L893 L921 L931 | T855-Y891 WeakPolarHBondContact CA-O 3.33Å; V856-Y891 PolarHBondContact N-O 2.9Å; V856-Y891 PolarHBondContact O-N 3.45Å; Y891-L893 HydrophobicContact CD1-CD2 4.08Å; Y891-L893 HydrophobicContact CE1-CD2 4.12Å; Y891-L921 HydrophobicContact CD1-CD1 3.78Å; Y891-L921 HydrophobicContact CD1-CD2 3.75Å; Y891-L921 HydrophobicContact CD1-CG 4.45Å; Y891-L921 HydrophobicContact CD2-CD2 4.05Å; Y891-L921 HydrophobicContact CE1-CD2 3.76Å; Y891-L921 HydrophobicContact CE2-CD2 4.06Å; Y891-L921 HydrophobicContact CG-CD1 3.85Å; Y891-L921 HydrophobicContact CG-CD2 3.9Å; Y891-L931 HydrophobicContact CE2-CB 4.15Å |
| 892 | S | 90.8 | Very high | 83.6 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 49% | 0.49 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122.6 | 173.3 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | G854 | G854-S892 CarbonylContact O-C 3.48Å; G854-S892 WeakPolarHBondContact O-CA 3.33Å |
| 893 | L | 87.7 | Confident | 85.2 | Confident | 14 Ų | 14 | 44.2 Ų | 44.2 | 7% | 0.073 | 23% | 0.23 | C | C | . | . | trans | -74.8 | 157 | 173.9 | -59.8 | 168.8 | 0 | 0 | 0 | 109.8 | G854 V856 Y891 S895 C899 V911 | G854-L893 PolarHBondContact O-N 3.41Å; V856-L893 HydrophobicContact CG2-CD1 4.05Å; V856-L893 HydrophobicContact CG2-CD2 4.23Å; V856-L893 HydrophobicContact CG2-CG 4.1Å; Y891-L893 HydrophobicContact CD1-CD2 4.08Å; Y891-L893 HydrophobicContact CE1-CD2 4.12Å; L893-S895 PolarHBondContact O-N 2.98Å; L893-C899 HydrophobicContact CD1-CB 4.07Å; L893-C899 VanDerWaalsContact CD1-SG 3.52Å; L893-V911 HydrophobicContact CD1-CG1 3.96Å; L893-V911 HydrophobicContact CD2-CG1 4.11Å | ||
| 894 | N | 79.5 | Confident | 85.8 | Confident | 144 Ų | 144 | 38.9 Ų | 38.9 | 77% | 0.77 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -76.8 | -2.3 | 177.9 | -63.7 | -21.9 | 0 | 0 | 0 | 113.2 | ||
| 895 | S | 77 | Confident | 85.4 | Confident | 29 Ų | 29 | 41.5 Ų | 41.5 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | trans | -143.7 | 138 | -170.8 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | L893 S897 D915 | L893-S895 PolarHBondContact O-N 2.98Å; S895-S897 PolarHBondContact O-N 3.42Å; S895-S897 VanDerWaalsContact OG-CB 3.24Å; S895-S897 WeakPolarHBondContact OG-CB 3.48Å; S895-S897 PolarHBondContact OG-N 3.2Å; S895-S897 PolarHBondContact OG-OG 2.78Å; S895-D915 WeakPolarHBondContact CB-OD2 3.46Å; S895-D915 PolarHBondContact OG-OD2 3.26Å | ||
| 896 | D | 78.5 | Confident | 84.8 | Confident | 109 Ų | 109 | 43.9 Ų | 43.9 | 58% | 0.583 | 25% | 0.246 | S | C | * | . | trans | -86.7 | 9.5 | 172.9 | -68.2 | -32.3 | 0 | 0 | 0 | 111.9 | G854 | G854-D896 VanDerWaalsContact CA-OD1 3.27Å; G854-D896 WeakPolarHBondContact CA-OD1 3.47Å; G854-D896 PolarHBondContact N-OD1 3.21Å; G854-D896 VanDerWaalsContact N-OD1 3.11Å | ||
| 897 | S | 84.2 | Confident | 84.8 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -58.4 | 150.1 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.3 | S895 C899 D915 | S895-S897 PolarHBondContact O-N 3.42Å; S895-S897 VanDerWaalsContact OG-CB 3.24Å; S895-S897 WeakPolarHBondContact OG-CB 3.48Å; S895-S897 PolarHBondContact OG-N 3.2Å; S895-S897 PolarHBondContact OG-OG 2.78Å; S897-C899 PolarHBondContact O-N 3.22Å; S897-C899 VanDerWaalsContact O-N 3.17Å; S897-D915 PolarHBondContact OG-OD2 3.01Å |
| 898 | Q | 85.5 | Confident | 84.8 | Confident | 87 Ų | 87 | 44.3 Ų | 44.3 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | trans | -55.6 | 126.4 | 175.9 | 179.8 | 178.2 | 35.2 | 0 | 0 | 110 | Y836 F900 S913 V914 | Y836-Q898 HydrophobicContact CD1-CG 3.89Å; Y836-Q898 HydrophobicContact CD2-CB 4.43Å; Y836-Q898 HydrophobicContact CD2-CG 4.13Å; Y836-Q898 HydrophobicContact CE1-CB 4.31Å; Y836-Q898 HydrophobicContact CE1-CG 4.09Å; Y836-Q898 HydrophobicContact CE2-CB 4.17Å; Y836-Q898 HydrophobicContact CE2-CG 4.32Å; Y836-Q898 HydrophobicContact CG-CG 3.9Å; Q898-F900 HydrophobicContact CG-CE2 3.97Å; Q898-F900 HydrophobicContact CG-CZ 4.07Å; Q898-S913 CarbonylContact O-C 3.5Å; Q898-S913 WeakPolarHBondContact O-CA 3.24Å; Q898-V914 HydrophobicContact CB-CB 4.43Å; Q898-V914 HydrophobicContact CB-CG2 3.8Å; Q898-V914 HydrophobicContact CG-CG2 4.2Å; Q898-V914 WeakPolarHBondContact O-CG2 2.96Å; Q898-V914 PolarHBondContact O-N 2.72Å | ||
| 899 | C | 86.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.4 | -175.5 | 59.7 | 0 | 0 | 0 | 0 | 112 | Y836 T850 L893 S897 V911 V912 S913 | Y836-C899 WeakPolarHBondContact CB-O 3.45Å; T850-C899 PolarHBondContact OG1-O 2.91Å; L893-C899 HydrophobicContact CD1-CB 4.07Å; L893-C899 VanDerWaalsContact CD1-SG 3.52Å; S897-C899 PolarHBondContact O-N 3.22Å; S897-C899 VanDerWaalsContact O-N 3.17Å; C899-V911 HydrophobicContact CB-CG1 4Å; C899-V912 CarbonylContact C-O 3.56Å; C899-V912 WeakPolarHBondContact CA-O 3.38Å; C899-S913 WeakPolarHBondContact CB-OG 3.31Å |
| 900 | F | 86.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 178.2 | -60.2 | -86.6 | 0 | 0 | 0 | 108.3 | F612 V614 Q898 V911 V912 V914 | F612-F900 HydrophobicContact CB-CD2 3.65Å; F612-F900 HydrophobicContact CB-CE2 3.75Å; F612-F900 HydrophobicContact CB-CG 4.39Å; F612-F900 HydrophobicContact CD2-CD2 4.16Å; F612-F900 AromaticContact CD2-CE2 3.99Å; F612-F900 HydrophobicContact CD2-CE2 3.99Å; F612-F900 HydrophobicContact CG-CD2 4.08Å; F612-F900 HydrophobicContact CG-CE2 4.23Å; V614-F900 HydrophobicContact CG2-CB 3.8Å; Q898-F900 HydrophobicContact CG-CE2 3.97Å; Q898-F900 HydrophobicContact CG-CZ 4.07Å; F900-V911 WeakPolarHBondContact O-CA 3.4Å; F900-V912 PolarHBondContact N-O 2.98Å; F900-V912 PolarHBondContact O-N 3.4Å; F900-V914 HydrophobicContact CE2-CG2 4.5Å |
| 901 | C | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 154.7 | 174.7 | 61.7 | 0 | 0 | 0 | 0 | 110.9 | R839 S848 T850 I910 V911 | R839-C901 WeakPolarHBondContact CG-O 3.32Å; S848-C901 PolarHBondContact OG-SG 3.46Å; T850-C901 HydrophobicContact CG2-CB 3.7Å; C901-I910 CarbonylContact C-O 3.57Å; C901-I910 VanDerWaalsContact CA-O 3.26Å; C901-I910 WeakPolarHBondContact CA-O 3.27Å; C901-V911 HydrophobicContact CB-CG2 4.15Å |
| 902 | G | 86.2 | Confident | 84.4 | Confident | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 158.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A619 G904 I910 | A619-G902 WeakPolarHBondContact CB-O 3.19Å; G902-G904 PolarHBondContact O-N 3.39Å; G902-I910 PolarHBondContact N-O 3.26Å; G902-I910 PolarHBondContact O-N 2.79Å |
| 903 | F | 87.4 | Confident | 84.3 | Confident | 9 Ų | 9 | 33.7 Ų | 33.7 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.5 | -179.4 | -72.4 | -87 | 0 | 0 | 0 | 110.5 | A619 R839 F840 N841 F846 V858 L909 Y923 | A619-F903 PolarHBondContact N-O 3.24Å; R839-F903 WeakPolarHBondContact O-CE2 3.43Å; F840-F903 VanDerWaalsContact C-CD2 3.48Å; N841-F903 VanDerWaalsContact CA-CD2 3.43Å; N841-F903 HydrophobicContact CB-CB 3.93Å; N841-F903 HydrophobicContact CB-CD1 3.69Å; N841-F903 HydrophobicContact CB-CD2 3.55Å; N841-F903 HydrophobicContact CB-CE1 4.04Å; N841-F903 HydrophobicContact CB-CE2 3.89Å; N841-F903 HydrophobicContact CB-CG 3.43Å; N841-F903 VanDerWaalsContact CB-CG 3.43Å; N841-F903 HydrophobicContact CB-CZ 4.13Å; N841-F903 VanDerWaalsContact N-CD2 3.28Å; F846-F903 HydrophobicContact CB-CE1 3.93Å; F846-F903 HydrophobicContact CB-CZ 3.7Å; V858-F903 HydrophobicContact CG1-CE1 4.34Å; V858-F903 HydrophobicContact CG1-CZ 4.33Å; F903-L909 HydrophobicContact CD1-CD2 3.58Å; F903-L909 HydrophobicContact CD1-CG 4Å; F903-L909 HydrophobicContact CD2-CD2 4.16Å; F903-L909 HydrophobicContact CE1-CD1 4.31Å; F903-L909 HydrophobicContact CE1-CD2 3.67Å; F903-L909 HydrophobicContact CE1-CG 4.05Å; F903-L909 HydrophobicContact CE2-CD2 4.25Å; F903-L909 HydrophobicContact CG-CD2 3.85Å; F903-L909 HydrophobicContact CZ-CD2 4.02Å; F903-Y923 AromaticContact CD1-CE1 3.61Å; F903-Y923 HydrophobicContact CD1-CE1 3.61Å; F903-Y923 AromaticContact CD1-CZ 3.78Å; F903-Y923 WeakPolarHBondContact CD1-OH 3.18Å; F903-Y923 HydrophobicContact CE1-CD1 4.44Å; F903-Y923 AromaticContact CE1-CE1 3.61Å; F903-Y923 HydrophobicContact CE1-CE1 3.61Å; F903-Y923 HydrophobicContact CE1-CE2 4.35Å; F903-Y923 AromaticContact CE1-CZ 3.56Å; F903-Y923 WeakPolarHBondContact CE1-OH 3.43Å |
| 904 | G | 80.2 | Confident | 84 | Confident | 14 Ų | 14 | 35.2 Ų | 35.2 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | trans | -83.9 | -155.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G902 T908 | G902-G904 PolarHBondContact O-N 3.39Å; G904-T908 WeakPolarHBondContact CA-OG1 3.31Å; G904-T908 PolarHBondContact N-O 3.14Å | ||
| 905 | R | 69.6 | Low | 84.2 | Confident | 68 Ų | 68 | 30.2 Ų | 30.2 | 26% | 0.257 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -76.4 | 144.8 | 177.2 | -69.2 | 168 | 168.6 | -131.3 | -5.3 | 111.8 | D445 Y449 S907 T908 | D445-R905 IonicContact OD1-CZ 3.49Å; D445-R905 IonicContact OD1-NH1 3.96Å; D445-R905 PolarHBondContact OD1-NH1 2.81Å; D445-R905 IonicContact OD1-NH2 2.69Å; D445-R905 PolarHBondContact OD1-NH2 2.89Å; D445-R905 IonicContact OD2-CZ 3.87Å; D445-R905 IonicContact OD2-NH1 2.59Å; D445-R905 PolarHBondContact OD2-NH1 2.86Å; D445-R905 IonicContact OD2-NH2 3.08Å; D445-R905 PolarHBondContact OD2-NH2 2.77Å; Y449-R905 WeakPolarHBondContact OH-CD 3.42Å; Y449-R905 WeakPolarHBondContact OH-CG 3.36Å; Y449-R905 PolarHBondContact OH-NE 2.89Å; R905-S907 PolarHBondContact O-N 3.49Å; R905-T908 PolarHBondContact N-OG1 2.83Å; R905-T908 VanDerWaalsContact N-OG1 3.09Å; R905-T908 WeakPolarHBondContact O-CB 3.31Å; R905-T908 WeakPolarHBondContact O-CG2 3.3Å; R905-T908 PolarHBondContact O-N 3.27Å; R905-T908 PolarHBondContact O-OG1 2.89Å |
| 906 | G | 74.2 | Confident | 84.4 | Confident | 70 Ų | 70 | 28.8 Ų | 28.8 | 72% | 0.722 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -130.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | T908 | G906-T908 VanDerWaalsContact C-N 3.35Å; G906-T908 PolarHBondContact O-N 3.11Å |
| 907 | S | 86.9 | Confident | 84.8 | Confident | 58 Ų | 58 | 24.4 Ų | 24.4 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 47.4 | 176.8 | -48.5 | 0 | 0 | 0 | 0 | 111.8 | R905 A922 Y923 | R905-S907 PolarHBondContact O-N 3.49Å; S907-A922 CarbonylContact O-C 3.49Å; S907-A922 WeakPolarHBondContact O-CA 3.2Å; S907-Y923 VanDerWaalsContact C-CD1 3.4Å; S907-Y923 VanDerWaalsContact CA-CE1 3.49Å; S907-Y923 WeakPolarHBondContact CB-O 3.27Å; S907-Y923 WeakPolarHBondContact O-CD1 3.41Å; S907-Y923 WeakPolarHBondContact O-CE1 3.01Å; S907-Y923 PolarHBondContact O-N 3.45Å |
| 908 | T | 88.3 | Confident | 85 | Confident | 19 Ų | 19 | 22.5 Ų | 22.5 | 12% | 0.117 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154 | 176 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | G904 R905 G906 L921 L932 | G904-T908 WeakPolarHBondContact CA-OG1 3.31Å; G904-T908 PolarHBondContact N-O 3.14Å; R905-T908 PolarHBondContact N-OG1 2.83Å; R905-T908 VanDerWaalsContact N-OG1 3.09Å; R905-T908 WeakPolarHBondContact O-CB 3.31Å; R905-T908 WeakPolarHBondContact O-CG2 3.3Å; R905-T908 PolarHBondContact O-N 3.27Å; R905-T908 PolarHBondContact O-OG1 2.89Å; G906-T908 VanDerWaalsContact C-N 3.35Å; G906-T908 PolarHBondContact O-N 3.11Å; T908-L921 CarbonylContact C-O 3.59Å; T908-L921 WeakPolarHBondContact CA-O 3.41Å; T908-L921 WeakPolarHBondContact CB-O 3.47Å; T908-L932 HydrophobicContact CG2-CD1 3.93Å |
| 909 | L | 89.9 | Confident | 85.2 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.9 | 176.7 | -82.9 | 159.6 | 0 | 0 | 0 | 108.5 | V858 F903 L921 Y923 | V858-L909 HydrophobicContact CG2-CD1 3.24Å; F903-L909 HydrophobicContact CD1-CD2 3.58Å; F903-L909 HydrophobicContact CD1-CG 4Å; F903-L909 HydrophobicContact CD2-CD2 4.16Å; F903-L909 HydrophobicContact CE1-CD1 4.31Å; F903-L909 HydrophobicContact CE1-CD2 3.67Å; F903-L909 HydrophobicContact CE1-CG 4.05Å; F903-L909 HydrophobicContact CE2-CD2 4.25Å; F903-L909 HydrophobicContact CG-CD2 3.85Å; F903-L909 HydrophobicContact CZ-CD2 4.02Å; L909-L921 HydrophobicContact CB-CB 4.22Å; L909-L921 PolarHBondContact N-O 2.66Å; L909-L921 PolarHBondContact O-N 2.76Å; L909-Y923 HydrophobicContact CD1-CD1 3.59Å; L909-Y923 HydrophobicContact CD1-CE1 4.17Å; L909-Y923 HydrophobicContact CD1-CG 4.18Å; L909-Y923 HydrophobicContact CG-CD1 3.76Å; L909-Y923 HydrophobicContact CG-CE1 3.99Å |
| 910 | I | 89.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 131 | 172.5 | -54.9 | -49.7 | 0 | 0 | 0 | 108 | A619 C901 G902 V912 Y918 H919 K920 | A619-I910 HydrophobicContact CB-CB 3.76Å; A619-I910 HydrophobicContact CB-CG1 4.02Å; C901-I910 CarbonylContact C-O 3.57Å; C901-I910 VanDerWaalsContact CA-O 3.26Å; C901-I910 WeakPolarHBondContact CA-O 3.27Å; G902-I910 PolarHBondContact N-O 3.26Å; G902-I910 PolarHBondContact O-N 2.79Å; I910-V912 HydrophobicContact CG2-CG2 4.07Å; I910-Y918 HydrophobicContact CD1-CE2 4.49Å; I910-Y918 WeakPolarHBondContact CD1-OH 3.4Å; I910-Y918 HydrophobicContact CG2-CD2 4.02Å; I910-Y918 HydrophobicContact CG2-CE2 3.41Å; I910-Y918 VanDerWaalsContact CG2-CE2 3.41Å; I910-H919 WeakPolarHBondContact CA-O 3.14Å; I910-K920 HydrophobicContact CD1-CB 3.94Å; I910-K920 HydrophobicContact CD1-CD 4.43Å; I910-K920 HydrophobicContact CD1-CG 3.7Å |
| 911 | V | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 123.3 | 177.9 | -172.5 | 0 | 0 | 0 | 0 | 108.5 | V856 L893 C899 F900 C901 Y918 H919 L921 | V856-V911 HydrophobicContact CG1-CG2 4.43Å; V856-V911 HydrophobicContact CG2-CG1 4.26Å; V856-V911 HydrophobicContact CG2-CG2 3.85Å; L893-V911 HydrophobicContact CD1-CG1 3.96Å; L893-V911 HydrophobicContact CD2-CG1 4.11Å; C899-V911 HydrophobicContact CB-CG1 4Å; F900-V911 WeakPolarHBondContact O-CA 3.4Å; C901-V911 HydrophobicContact CB-CG2 4.15Å; V911-Y918 CarbonylContact O-C 3.54Å; V911-Y918 WeakPolarHBondContact O-CA 3.22Å; V911-H919 HydrophobicContact CB-CB 4.3Å; V911-H919 PolarHBondContact N-O 3.15Å; V911-H919 PolarHBondContact O-N 3.38Å; V911-L921 HydrophobicContact CG2-CD1 3.89Å; V911-L921 HydrophobicContact CG2-CG 4.48Å |
| 912 | V | 87.6 | Confident | 85.9 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.5 | 179.9 | -172.2 | 0 | 0 | 0 | 0 | 108.5 | F612 F622 C899 F900 I910 S917 Y918 F937 | F612-V912 HydrophobicContact CD1-CG1 3.91Å; F612-V912 HydrophobicContact CE1-CG1 3.45Å; F612-V912 VanDerWaalsContact CE1-CG1 3.45Å; F612-V912 HydrophobicContact CZ-CG1 4.17Å; F622-V912 HydrophobicContact CD1-CG2 4.02Å; F622-V912 HydrophobicContact CD2-CG1 4.15Å; F622-V912 HydrophobicContact CD2-CG2 4.45Å; F622-V912 HydrophobicContact CE1-CG2 3.99Å; F622-V912 HydrophobicContact CE2-CG1 3.85Å; F622-V912 HydrophobicContact CE2-CG2 4.41Å; F622-V912 HydrophobicContact CG-CG2 4.25Å; F622-V912 HydrophobicContact CZ-CG1 4.2Å; F622-V912 HydrophobicContact CZ-CG2 4.18Å; C899-V912 CarbonylContact C-O 3.56Å; C899-V912 WeakPolarHBondContact CA-O 3.38Å; F900-V912 PolarHBondContact N-O 2.98Å; F900-V912 PolarHBondContact O-N 3.4Å; I910-V912 HydrophobicContact CG2-CG2 4.07Å; V912-S917 WeakPolarHBondContact CA-O 3.32Å; V912-Y918 HydrophobicContact CG2-CD2 4.26Å; V912-F937 HydrophobicContact CG1-CD1 3.76Å; V912-F937 HydrophobicContact CG1-CE1 3.35Å; V912-F937 HydrophobicContact CG1-CZ 4.04Å |
| 913 | S | 86.8 | Confident | 86.1 | Confident | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 156.1 | -172.5 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | F612 Q898 C899 D915 G916 S917 | F612-S913 WeakPolarHBondContact CZ-O 3.48Å; Q898-S913 CarbonylContact O-C 3.5Å; Q898-S913 WeakPolarHBondContact O-CA 3.24Å; C899-S913 WeakPolarHBondContact CB-OG 3.31Å; S913-D915 WeakPolarHBondContact CB-OD1 3.48Å; S913-D915 PolarHBondContact O-N 2.89Å; S913-G916 PolarHBondContact O-N 2.8Å; S913-S917 WeakPolarHBondContact CB-OG 3.36Å; S913-S917 PolarHBondContact N-O 2.82Å; S913-S917 PolarHBondContact OG-OG 3.31Å |
| 914 | V | 83.5 | Confident | 86 | Confident | 46 Ų | 46 | 22.5 Ų | 22.5 | 28% | 0.279 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.1 | 178.6 | 177 | 0 | 0 | 0 | 0 | 113.9 | I609 F612 Q898 F900 G916 | I609-V914 HydrophobicContact CB-CG1 4.41Å; I609-V914 WeakPolarHBondContact CD1-O 3.31Å; F612-V914 HydrophobicContact CD2-CG2 3.78Å; F612-V914 HydrophobicContact CE2-CB 4.03Å; F612-V914 HydrophobicContact CE2-CG2 3.55Å; Q898-V914 HydrophobicContact CB-CB 4.43Å; Q898-V914 HydrophobicContact CB-CG2 3.8Å; Q898-V914 HydrophobicContact CG-CG2 4.2Å; Q898-V914 WeakPolarHBondContact O-CG2 2.96Å; Q898-V914 PolarHBondContact O-N 2.72Å; F900-V914 HydrophobicContact CE2-CG2 4.5Å; V914-G916 PolarHBondContact O-N 3.12Å |
| 915 | D | 82 | Confident | 86 | Confident | 38 Ų | 38 | 24.8 Ų | 24.8 | 20% | 0.203 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 16.1 | 168 | 64.2 | 8.1 | 0 | 0 | 0 | 113.1 | F603 S895 S897 S913 S917 | F603-D915 WeakPolarHBondContact CZ-O 3.39Å; S895-D915 WeakPolarHBondContact CB-OD2 3.46Å; S895-D915 PolarHBondContact OG-OD2 3.26Å; S897-D915 PolarHBondContact OG-OD2 3.01Å; S913-D915 WeakPolarHBondContact CB-OD1 3.48Å; S913-D915 PolarHBondContact O-N 2.89Å; D915-S917 PolarHBondContact O-N 2.79Å; D915-S917 VanDerWaalsContact O-N 3.15Å; D915-S917 VanDerWaalsContact OD1-CB 3.23Å; D915-S917 WeakPolarHBondContact OD1-CB 3.47Å; D915-S917 PolarHBondContact OD1-N 2.96Å; D915-S917 PolarHBondContact OD1-OG 3.27Å |
| 916 | G | 82 | Confident | 86.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 75.7 | -1.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | S913 V914 T936 F937 | S913-G916 PolarHBondContact O-N 2.8Å; V914-G916 PolarHBondContact O-N 3.12Å; G916-T936 CarbonylContact O-C 3.49Å; G916-T936 WeakPolarHBondContact O-CA 3.3Å; G916-F937 WeakPolarHBondContact O-CD1 3.48Å; G916-F937 VanDerWaalsContact O-CE1 3.24Å; G916-F937 WeakPolarHBondContact O-CE1 3.45Å; G916-F937 PolarHBondContact O-N 3.32Å |
| 917 | S | 86.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 25.1 Ų | 25.1 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.2 | 179 | 66.9 | 0 | 0 | 0 | 0 | 112.4 | V912 S913 D915 H919 | V912-S917 WeakPolarHBondContact CA-O 3.32Å; S913-S917 WeakPolarHBondContact CB-OG 3.36Å; S913-S917 PolarHBondContact N-O 2.82Å; S913-S917 PolarHBondContact OG-OG 3.31Å; D915-S917 PolarHBondContact O-N 2.79Å; D915-S917 VanDerWaalsContact O-N 3.15Å; D915-S917 VanDerWaalsContact OD1-CB 3.23Å; D915-S917 WeakPolarHBondContact OD1-CB 3.47Å; D915-S917 PolarHBondContact OD1-N 2.96Å; D915-S917 PolarHBondContact OD1-OG 3.27Å; S917-H919 PolarHBondContact OG-CE1 3.26Å |
| 918 | Y | 88.7 | Confident | 86.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.9 | 175.1 | 167.9 | -83 | 0 | 0 | 0 | 108.3 | F622 S635 L638 I910 V911 V912 K920 C934 D935 | F622-Y918 HydrophobicContact CE1-CD2 4.36Å; S635-Y918 WeakPolarHBondContact O-CE2 2.86Å; S635-Y918 PolarHBondContact O-OH 3.28Å; L638-Y918 HydrophobicContact CB-CE1 4.39Å; L638-Y918 HydrophobicContact CB-CE2 4.38Å; L638-Y918 HydrophobicContact CD1-CD2 3.75Å; L638-Y918 HydrophobicContact CD1-CE2 3.99Å; L638-Y918 HydrophobicContact CD1-CG 4.22Å; L638-Y918 HydrophobicContact CD2-CD1 3.89Å; L638-Y918 HydrophobicContact CD2-CD2 4.13Å; L638-Y918 HydrophobicContact CD2-CE1 4.48Å; L638-Y918 HydrophobicContact CD2-CG 3.72Å; L638-Y918 HydrophobicContact CG-CD2 4.39Å; L638-Y918 HydrophobicContact CG-CG 4.44Å; I910-Y918 HydrophobicContact CD1-CE2 4.49Å; I910-Y918 WeakPolarHBondContact CD1-OH 3.4Å; I910-Y918 HydrophobicContact CG2-CD2 4.02Å; I910-Y918 HydrophobicContact CG2-CE2 3.41Å; I910-Y918 VanDerWaalsContact CG2-CE2 3.41Å; V911-Y918 CarbonylContact O-C 3.54Å; V911-Y918 WeakPolarHBondContact O-CA 3.22Å; V912-Y918 HydrophobicContact CG2-CD2 4.26Å; Y918-K920 HydrophobicContact CE1-CB 4.01Å; Y918-C934 CarbonylContact O-C 3.51Å; Y918-C934 VanDerWaalsContact O-CA 3.26Å; Y918-C934 WeakPolarHBondContact O-CA 3.49Å; Y918-D935 HydrophobicContact CD1-CB 4.37Å; Y918-D935 PolarHBondContact N-O 2.76Å; Y918-D935 PolarHBondContact O-N 3.08Å |
| 919 | H | 90 | Very high | 86.5 | Confident | 6 Ų | 6 | 26.4 Ų | 26.4 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.9 | 175.1 | -56.9 | 74.9 | 0 | 0 | 0 | 110.3 | I910 V911 S917 L921 L931 E933 | I910-H919 WeakPolarHBondContact CA-O 3.14Å; V911-H919 HydrophobicContact CB-CB 4.3Å; V911-H919 PolarHBondContact N-O 3.15Å; V911-H919 PolarHBondContact O-N 3.38Å; S917-H919 PolarHBondContact OG-CE1 3.26Å; H919-L921 HydrophobicContact CB-CD2 4.29Å; H919-L931 HydrophobicContact CB-CD1 4.04Å; H919-E933 WeakPolarHBondContact CA-O 3.49Å |
| 920 | K | 90.1 | Very high | 86.5 | Confident | 22 Ų | 22 | 29.2 Ų | 29.2 | 10% | 0.096 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 117.7 | 167.4 | -175.7 | 179.6 | 179.1 | 175.7 | 0 | 108.3 | D636 I910 Y918 L932 E933 | D636-K920 VanDerWaalsContact CG-NZ 3.25Å; D636-K920 IonicContact OD1-NZ 3.98Å; D636-K920 PolarHBondContact OD1-NZ 2.81Å; D636-K920 WeakPolarHBondContact OD2-CE 3.44Å; D636-K920 IonicContact OD2-NZ 3.26Å; D636-K920 PolarHBondContact OD2-NZ 3.15Å; D636-K920 VanDerWaalsContact OD2-NZ 3.1Å; I910-K920 HydrophobicContact CD1-CB 3.94Å; I910-K920 HydrophobicContact CD1-CD 4.43Å; I910-K920 HydrophobicContact CD1-CG 3.7Å; Y918-K920 HydrophobicContact CE1-CB 4.01Å; K920-L932 HydrophobicContact CB-CB 4.37Å; K920-L932 HydrophobicContact CD-CB 4.26Å; K920-L932 HydrophobicContact CD-CD1 4.33Å; K920-L932 HydrophobicContact CG-CB 4.11Å; K920-L932 HydrophobicContact CG-CD1 4.14Å; K920-L932 WeakPolarHBondContact O-CA 3.34Å; K920-L932 WeakPolarHBondContact O-CB 3.19Å; K920-L932 PolarHBondContact O-N 3.19Å; K920-E933 HydrophobicContact CB-CB 3.91Å; K920-E933 HydrophobicContact CD-CB 4.3Å; K920-E933 VanDerWaalsContact CD-CD 3.48Å; K920-E933 HydrophobicContact CD-CG 4.11Å; K920-E933 WeakPolarHBondContact CD-OE1 3.3Å; K920-E933 PolarHBondContact N-O 3.24Å; K920-E933 IonicContact NZ-OE1 3.26Å; K920-E933 PolarHBondContact NZ-OE1 2.81Å; K920-E933 IonicContact NZ-OE2 3.35Å; K920-E933 PolarHBondContact O-N 2.79Å |
| 921 | L | 92.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 140 | -178.7 | -51.7 | 176.9 | 0 | 0 | 0 | 109.4 | V856 Y891 T908 L909 V911 H919 S930 L931 | V856-L921 HydrophobicContact CB-CD1 4.48Å; V856-L921 HydrophobicContact CG1-CD1 4.48Å; V856-L921 HydrophobicContact CG2-CD1 4.37Å; Y891-L921 HydrophobicContact CD1-CD1 3.78Å; Y891-L921 HydrophobicContact CD1-CD2 3.75Å; Y891-L921 HydrophobicContact CD1-CG 4.45Å; Y891-L921 HydrophobicContact CD2-CD2 4.05Å; Y891-L921 HydrophobicContact CE1-CD2 3.76Å; Y891-L921 HydrophobicContact CE2-CD2 4.06Å; Y891-L921 HydrophobicContact CG-CD1 3.85Å; Y891-L921 HydrophobicContact CG-CD2 3.9Å; T908-L921 CarbonylContact C-O 3.59Å; T908-L921 WeakPolarHBondContact CA-O 3.41Å; T908-L921 WeakPolarHBondContact CB-O 3.47Å; L909-L921 HydrophobicContact CB-CB 4.22Å; L909-L921 PolarHBondContact N-O 2.66Å; L909-L921 PolarHBondContact O-N 2.76Å; V911-L921 HydrophobicContact CG2-CD1 3.89Å; V911-L921 HydrophobicContact CG2-CG 4.48Å; H919-L921 HydrophobicContact CB-CD2 4.29Å; L921-S930 CarbonylContact C-O 3.54Å; L921-S930 VanDerWaalsContact CA-O 3.29Å; L921-S930 WeakPolarHBondContact CA-O 3.43Å; L921-L931 HydrophobicContact CD2-CB 4.34Å; L921-L931 HydrophobicContact CD2-CD1 3.65Å |
| 922 | A | 91.9 | Very high | 86.4 | Confident | 24 Ų | 24 | 36.8 Ų | 36.8 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 126.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109 | S907 C929 S930 L932 | S907-A922 CarbonylContact O-C 3.49Å; S907-A922 WeakPolarHBondContact O-CA 3.2Å; A922-C929 CarbonylContact O-C 3.6Å; A922-C929 VanDerWaalsContact O-CA 3.26Å; A922-C929 WeakPolarHBondContact O-CA 3.48Å; A922-S930 PolarHBondContact N-O 3.11Å; A922-S930 PolarHBondContact O-N 2.83Å; A922-L932 HydrophobicContact CB-CD1 3.84Å; A922-L932 HydrophobicContact CB-CD2 3.95Å; A922-L932 HydrophobicContact CB-CG 3.82Å |
| 923 | Y | 90.5 | Very high | 86.3 | Confident | 11 Ų | 11 | 40.6 Ų | 40.6 | 4% | 0.043 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 150.7 | 171.1 | 69.5 | -85.9 | 0 | 0 | 0 | 109.6 | F846 V858 F903 S907 L909 T928 | F846-Y923 HydrophobicContact CD1-CE2 4.42Å; F846-Y923 HydrophobicContact CD2-CE2 4.1Å; F846-Y923 HydrophobicContact CE2-CE2 4.31Å; F846-Y923 HydrophobicContact CG-CE2 4.17Å; V858-Y923 HydrophobicContact CG1-CD2 4.07Å; V858-Y923 HydrophobicContact CG1-CE2 4.35Å; V858-Y923 HydrophobicContact CG1-CG 4.39Å; F903-Y923 AromaticContact CD1-CE1 3.61Å; F903-Y923 HydrophobicContact CD1-CE1 3.61Å; F903-Y923 AromaticContact CD1-CZ 3.78Å; F903-Y923 WeakPolarHBondContact CD1-OH 3.18Å; F903-Y923 HydrophobicContact CE1-CD1 4.44Å; F903-Y923 AromaticContact CE1-CE1 3.61Å; F903-Y923 HydrophobicContact CE1-CE1 3.61Å; F903-Y923 HydrophobicContact CE1-CE2 4.35Å; F903-Y923 AromaticContact CE1-CZ 3.56Å; F903-Y923 WeakPolarHBondContact CE1-OH 3.43Å; S907-Y923 VanDerWaalsContact C-CD1 3.4Å; S907-Y923 VanDerWaalsContact CA-CE1 3.49Å; S907-Y923 WeakPolarHBondContact CB-O 3.27Å; S907-Y923 WeakPolarHBondContact O-CD1 3.41Å; S907-Y923 WeakPolarHBondContact O-CE1 3.01Å; S907-Y923 PolarHBondContact O-N 3.45Å; L909-Y923 HydrophobicContact CD1-CD1 3.59Å; L909-Y923 HydrophobicContact CD1-CE1 4.17Å; L909-Y923 HydrophobicContact CD1-CG 4.18Å; L909-Y923 HydrophobicContact CG-CD1 3.76Å; L909-Y923 HydrophobicContact CG-CE1 3.99Å; Y923-T928 CarbonylContact C-O 3.48Å; Y923-T928 WeakPolarHBondContact CA-O 3.24Å |
| 924 | N | 85.1 | Confident | 86.3 | Confident | 76 Ų | 76 | 44 Ų | 44 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | trans | -130.5 | 158 | 176.5 | -150.3 | -9.2 | 0 | 0 | 0 | 111 | N926 G927 T928 | N924-N926 PolarHBondContact O-N 2.89Å; N924-G927 PolarHBondContact O-N 3.35Å; N924-T928 WeakPolarHBondContact CB-OG1 3.5Å; N924-T928 PolarHBondContact N-O 2.8Å | ||
| 925 | V | 80.1 | Confident | 86.4 | Confident | 61 Ų | 61 | 45.8 Ų | 45.8 | 37% | 0.37 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.4 | -179.6 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | F846 L866 T888 G927 | F846-V925 HydrophobicContact CZ-CG2 4.32Å; L866-V925 HydrophobicContact CD1-CG1 3.72Å; L866-V925 HydrophobicContact CD2-CG1 3.39Å; L866-V925 HydrophobicContact CG-CG1 4.09Å; T888-V925 WeakPolarHBondContact CG2-O 3.47Å; V925-G927 PolarHBondContact O-N 3.08Å; V925-G927 VanDerWaalsContact O-N 3.13Å |
| 926 | N | 77.1 | Confident | 86.4 | Confident | 140 Ų | 140 | 45.5 Ų | 45.5 | 75% | 0.749 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -2.7 | 174.9 | -61.1 | -4.9 | 0 | 0 | 0 | 113.4 | N924 | N924-N926 PolarHBondContact O-N 2.89Š|
| 927 | G | 78.5 | Confident | 86.3 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 88.8 | 13 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116 | R868 T888 N924 V925 | R868-G927 PolarHBondContact NH2-O 3.37Å; T888-G927 CarbonylContact O-C 3.59Å; T888-G927 WeakPolarHBondContact O-CA 3.24Å; N924-G927 PolarHBondContact O-N 3.35Å; V925-G927 PolarHBondContact O-N 3.08Å; V925-G927 VanDerWaalsContact O-N 3.13Å |
| 928 | T | 84.7 | Confident | 85.9 | Confident | 83 Ų | 83 | 44.8 Ų | 44.8 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | trans | -84.5 | 141.1 | 171.1 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | Y923 N924 | Y923-T928 CarbonylContact C-O 3.48Å; Y923-T928 WeakPolarHBondContact CA-O 3.24Å; N924-T928 WeakPolarHBondContact CB-OG1 3.5Å; N924-T928 PolarHBondContact N-O 2.8Å | ||
| 929 | C | 89.4 | Confident | 85 | Confident | 21 Ų | 21 | 48.4 Ų | 48.4 | 14% | 0.142 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 115 | 169.1 | -157.6 | 0 | 0 | 0 | 0 | 108.2 | A889 K890 A922 | A889-C929 HydrophobicContact CB-CB 4.14Å; K890-C929 WeakPolarHBondContact O-CB 3.48Å; A922-C929 CarbonylContact O-C 3.6Å; A922-C929 VanDerWaalsContact O-CA 3.26Å; A922-C929 WeakPolarHBondContact O-CA 3.48Å |
| 930 | S | 89.9 | Confident | 83.5 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 42% | 0.42 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.4 | -176.9 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | L921 A922 | L921-S930 CarbonylContact C-O 3.54Å; L921-S930 VanDerWaalsContact CA-O 3.29Å; L921-S930 WeakPolarHBondContact CA-O 3.43Å; A922-S930 PolarHBondContact N-O 3.11Å; A922-S930 PolarHBondContact O-N 2.83Å |
| 931 | L | 91.4 | Very high | 81.7 | Confident | 71 Ų | 71 | 49.6 Ų | 49.6 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.3 | 171.8 | -174.7 | 65.9 | 0 | 0 | 0 | 109.7 | Y891 H919 L921 E933 C934 | Y891-L931 HydrophobicContact CE2-CB 4.15Å; H919-L931 HydrophobicContact CB-CD1 4.04Å; L921-L931 HydrophobicContact CD2-CB 4.34Å; L921-L931 HydrophobicContact CD2-CD1 3.65Å; L931-E933 VanDerWaalsContact CD1-O 3.27Å; L931-E933 WeakPolarHBondContact CD1-O 2.96Å; L931-C934 HydrophobicContact CD1-CB 4.19Å; L931-C934 HydrophobicContact CD2-CB 4Å; L931-C934 HydrophobicContact CG-CB 4.47Å |
| 932 | L | 87.2 | Confident | 79.5 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -49.2 | 172 | -65.3 | -178.3 | 0 | 0 | 0 | 110.9 | T908 K920 A922 | T908-L932 HydrophobicContact CG2-CD1 3.93Å; K920-L932 HydrophobicContact CB-CB 4.37Å; K920-L932 HydrophobicContact CD-CB 4.26Å; K920-L932 HydrophobicContact CD-CD1 4.33Å; K920-L932 HydrophobicContact CG-CB 4.11Å; K920-L932 HydrophobicContact CG-CD1 4.14Å; K920-L932 WeakPolarHBondContact O-CA 3.34Å; K920-L932 WeakPolarHBondContact O-CB 3.19Å; K920-L932 PolarHBondContact O-N 3.19Å; A922-L932 HydrophobicContact CB-CD1 3.84Å; A922-L932 HydrophobicContact CB-CD2 3.95Å; A922-L932 HydrophobicContact CB-CG 3.82Å |
| 933 | E | 85.1 | Confident | 77 | Confident | 82 Ų | 82 | 57.9 Ų | 57.9 | 38% | 0.383 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 145.1 | -177.4 | -62.6 | 162.9 | -149.6 | 0 | 0 | 109.4 | H919 K920 L931 | H919-E933 WeakPolarHBondContact CA-O 3.49Å; K920-E933 HydrophobicContact CB-CB 3.91Å; K920-E933 HydrophobicContact CD-CB 4.3Å; K920-E933 VanDerWaalsContact CD-CD 3.48Å; K920-E933 HydrophobicContact CD-CG 4.11Å; K920-E933 WeakPolarHBondContact CD-OE1 3.3Å; K920-E933 PolarHBondContact N-O 3.24Å; K920-E933 IonicContact NZ-OE1 3.26Å; K920-E933 PolarHBondContact NZ-OE1 2.81Å; K920-E933 IonicContact NZ-OE2 3.35Å; K920-E933 PolarHBondContact O-N 2.79Å; L931-E933 VanDerWaalsContact CD1-O 3.27Å; L931-E933 WeakPolarHBondContact CD1-O 2.96Å |
| 934 | C | 87.1 | Confident | 74.5 | Confident | 71 Ų | 71 | 62 Ų | 62 | 48% | 0.48 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 129.4 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | Y918 L931 | Y918-C934 CarbonylContact O-C 3.51Å; Y918-C934 VanDerWaalsContact O-CA 3.26Å; Y918-C934 WeakPolarHBondContact O-CA 3.49Å; L931-C934 HydrophobicContact CD1-CB 4.19Å; L931-C934 HydrophobicContact CD2-CB 4Å; L931-C934 HydrophobicContact CG-CB 4.47Å |
| 935 | D | 84.1 | Confident | 72.2 | Confident | 84 Ų | 84 | 65.5 Ų | 65.5 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 171.6 | -176 | -151.7 | -17.1 | 0 | 0 | 0 | 111.6 | L638 Y918 | L638-D935 HydrophobicContact CD2-CB 3.77Å; Y918-D935 HydrophobicContact CD1-CB 4.37Å; Y918-D935 PolarHBondContact N-O 2.76Å; Y918-D935 PolarHBondContact O-N 3.08Å |
| 936 | T | 83.3 | Confident | 70 | Confident | 33 Ų | 33 | 68.5 Ų | 68.5 | 20% | 0.202 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 101.5 | 171.5 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | G916 L938 N939 | G916-T936 CarbonylContact O-C 3.49Å; G916-T936 WeakPolarHBondContact O-CA 3.3Å; T936-L938 PolarHBondContact O-N 2.95Å; T936-N939 PolarHBondContact O-N 2.95Å; T936-N939 VanDerWaalsContact O-N 3.11Å |
| 937 | F | 80.3 | Confident | 67.8 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -67.3 | -24.3 | -169.7 | 69 | -96.4 | 0 | 0 | 0 | 113.6 | I609 F612 F622 Y633 L638 V912 G916 N939 V940 | I609-F937 HydrophobicContact CD1-CZ 3.91Å; F612-F937 AromaticContact CE1-CE1 3.86Å; F612-F937 HydrophobicContact CE1-CE1 3.86Å; F612-F937 HydrophobicContact CE1-CE2 4.08Å; F612-F937 AromaticContact CE1-CZ 3.32Å; F612-F937 HydrophobicContact CE1-CZ 3.32Å; F612-F937 HydrophobicContact CZ-CE1 4Å; F612-F937 HydrophobicContact CZ-CE2 4.48Å; F612-F937 AromaticContact CZ-CZ 3.47Å; F612-F937 HydrophobicContact CZ-CZ 3.47Å; F612-F937 VanDerWaalsContact CZ-CZ 3.47Å; F622-F937 HydrophobicContact CE2-CD1 4.24Å; F622-F937 AromaticContact CE2-CD2 3.74Å; F622-F937 HydrophobicContact CE2-CD2 3.74Å; F622-F937 HydrophobicContact CE2-CE1 4.46Å; F622-F937 AromaticContact CE2-CE2 3.99Å; F622-F937 HydrophobicContact CE2-CE2 3.99Å; F622-F937 AromaticContact CE2-CG 3.9Å; F622-F937 HydrophobicContact CE2-CG 3.9Å; F622-F937 HydrophobicContact CE2-CZ 4.37Å; F622-F937 HydrophobicContact CZ-CB 3.96Å; F622-F937 HydrophobicContact CZ-CD1 4.18Å; F622-F937 HydrophobicContact CZ-CD2 4.01Å; F622-F937 AromaticContact CZ-CG 3.77Å; F622-F937 HydrophobicContact CZ-CG 3.77Å; Y633-F937 HydrophobicContact CD1-CB 4.5Å; Y633-F937 HydrophobicContact CD2-CD2 4.01Å; Y633-F937 HydrophobicContact CE1-CB 4.43Å; Y633-F937 HydrophobicContact CE1-CD2 4.11Å; Y633-F937 WeakPolarHBondContact CE1-O 3.48Å; Y633-F937 AromaticContact CE2-CD2 3.51Å; Y633-F937 HydrophobicContact CE2-CD2 3.51Å; Y633-F937 AromaticContact CE2-CE2 3.88Å; Y633-F937 HydrophobicContact CE2-CE2 3.88Å; Y633-F937 HydrophobicContact CG-CD2 4.48Å; Y633-F937 AromaticContact CZ-CD2 3.56Å; Y633-F937 PolarHBondContact OH-O 3.24Å; L638-F937 HydrophobicContact CD1-CB 3.8Å; L638-F937 HydrophobicContact CD2-CB 3.86Å; L638-F937 HydrophobicContact CG-CB 4.29Å; V912-F937 HydrophobicContact CG1-CD1 3.76Å; V912-F937 HydrophobicContact CG1-CE1 3.35Å; V912-F937 HydrophobicContact CG1-CZ 4.04Å; G916-F937 WeakPolarHBondContact O-CD1 3.48Å; G916-F937 VanDerWaalsContact O-CE1 3.24Å; G916-F937 WeakPolarHBondContact O-CE1 3.45Å; G916-F937 PolarHBondContact O-N 3.32Å; F937-N939 PolarHBondContact O-N 2.58Å; F937-V940 PolarHBondContact O-N 3.41Å |
| 938 | L | 76.5 | Confident | 65.7 | Low | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -65.5 | -19.8 | 177 | -70.2 | 176.1 | 0 | 0 | 0 | 113.5 | F603 N607 I609 L626 R631 T936 | F603-L938 HydrophobicContact CE1-CD1 4.13Å; N607-L938 HydrophobicContact CB-CD1 4.27Å; I609-L938 HydrophobicContact CD1-CD1 3.63Å; I609-L938 HydrophobicContact CD1-CD2 4.37Å; I609-L938 HydrophobicContact CD1-CG 4.23Å; I609-L938 HydrophobicContact CG1-CD1 4.11Å; I609-L938 HydrophobicContact CG1-CD2 4.33Å; L626-L938 HydrophobicContact CD1-CD2 4.33Å; L626-L938 HydrophobicContact CD2-CD2 3.98Å; R631-L938 PolarHBondContact NH1-O 3.31Å; T936-L938 PolarHBondContact O-N 2.95Å |
| 939 | N | 69.9 | Low | 63.3 | Low | 77 Ų | 77 | 72.6 Ų | 72.6 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -97.4 | -8.5 | -178.6 | -61.7 | -9.2 | 0 | 0 | 0 | 112.7 | T936 F937 G941 D942 | T936-N939 PolarHBondContact O-N 2.95Å; T936-N939 VanDerWaalsContact O-N 3.11Å; F937-N939 PolarHBondContact O-N 2.58Å; N939-G941 PolarHBondContact O-N 3.38Å; N939-D942 PolarHBondContact O-N 3.3Å; N939-D942 VanDerWaalsContact O-N 3.12Å |
| 940 | V | 59.8 | Low | 60.3 | Low | 36 Ų | 36 | 79.8 Ų | 79.8 | 22% | 0.218 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.1 | -173.5 | 175.5 | 0 | 0 | 0 | 0 | 113 | L638 F937 | L638-V940 HydrophobicContact CD2-CG2 3.83Å; L638-V940 HydrophobicContact CG-CG2 4.12Å; F937-V940 PolarHBondContact O-N 3.41Å |
| 941 | G | 51 | Low | 57.7 | Low | 17 Ų | 17 | 85.1 Ų | 85.1 | 18% | 0.175 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -21.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N939 D943 N944 | N939-G941 PolarHBondContact O-N 3.38Å; G941-D943 VanDerWaalsContact C-N 3.28Å; G941-D943 PolarHBondContact O-N 3.4Å; G941-N944 WeakPolarHBondContact O-CB 3.48Å; G941-N944 PolarHBondContact O-N 3.47Å; G941-N944 VanDerWaalsContact O-N 3.14Å |
| 942 | D | 47.5 | Very low | 55 | Low | 89 Ų | 89 | 94.7 Ų | 94.7 | 48% | 0.476 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.9 | -24 | -173.3 | -71.5 | -11.1 | 0 | 0 | 0 | 112 | N939 N944 E945 F946 | N939-D942 PolarHBondContact O-N 3.3Å; N939-D942 VanDerWaalsContact O-N 3.12Å; D942-N944 PolarHBondContact O-N 3.15Å; D942-E945 WeakPolarHBondContact O-CA 3.31Å; D942-E945 VanDerWaalsContact O-CB 3.31Å; D942-E945 WeakPolarHBondContact O-CB 3.32Å; D942-E945 PolarHBondContact O-N 2.62Å; D942-F946 PolarHBondContact O-N 3.22Å |
| 943 | D | 39.5 | Very low | 53.4 | Low | 108 Ų | 108 | 95 Ų | 95 | 58% | 0.578 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.1 | -23.8 | 173.3 | -73.4 | -19 | 0 | 0 | 0 | 112.9 | G941 E945 F946 W947 | G941-D943 VanDerWaalsContact C-N 3.28Å; G941-D943 PolarHBondContact O-N 3.4Å; D943-E945 VanDerWaalsContact C-N 3.29Å; D943-F946 WeakPolarHBondContact O-CB 3.17Å; D943-F946 PolarHBondContact O-N 3.41Å; D943-W947 PolarHBondContact O-N 3.26Å |
| 944 | N | 37.4 | Very low | 51.7 | Low | 98 Ų | 98 | 95.6 Ų | 95.6 | 52% | 0.524 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.7 | -28.1 | 171.9 | -78.1 | -38.6 | 0 | 0 | 0 | 111.6 | G941 D942 N948 | G941-N944 WeakPolarHBondContact O-CB 3.48Å; G941-N944 PolarHBondContact O-N 3.47Å; G941-N944 VanDerWaalsContact O-N 3.14Å; D942-N944 PolarHBondContact O-N 3.15Å; N944-N948 WeakPolarHBondContact O-CB 3.27Å; N944-N948 PolarHBondContact O-N 2.98Å; N944-N948 PolarHBondContact O-ND2 3.36Å; N944-N948 VanDerWaalsContact O-ND2 3.07Å |
| 945 | E | 36.5 | Very low | 49.7 | Very low | 149 Ų | 149 | 97 Ų | 97 | 70% | 0.696 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.8 | -39.3 | 168.4 | -111.4 | -173.9 | -178.6 | 0 | 0 | 110.8 | D942 D943 N948 S949 | D942-E945 WeakPolarHBondContact O-CA 3.31Å; D942-E945 VanDerWaalsContact O-CB 3.31Å; D942-E945 WeakPolarHBondContact O-CB 3.32Å; D942-E945 PolarHBondContact O-N 2.62Å; D943-E945 VanDerWaalsContact C-N 3.29Å; E945-N948 PolarHBondContact O-N 2.84Å; E945-S949 WeakPolarHBondContact O-CA 3.39Å; E945-S949 WeakPolarHBondContact O-CB 3.33Å; E945-S949 PolarHBondContact O-N 3.01Å |
| 946 | F | 33.7 | Very low | 47.7 | Very low | 124 Ų | 124 | 97.8 Ų | 97.8 | 54% | 0.544 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.3 | -48.5 | 171.6 | 179.9 | -96.2 | 0 | 0 | 0 | 111.9 | D942 D943 S949 Y950 | D942-F946 PolarHBondContact O-N 3.22Å; D943-F946 WeakPolarHBondContact O-CB 3.17Å; D943-F946 PolarHBondContact O-N 3.41Å; F946-S949 WeakPolarHBondContact O-CB 3.34Å; F946-S949 PolarHBondContact O-N 2.94Å; F946-Y950 WeakPolarHBondContact O-CB 2.65Å; F946-Y950 PolarHBondContact O-N 3.26Å |
| 947 | W | 30.4 | Very low | 45.5 | Very low | 142 Ų | 142 | 101.8 Ų | 101.8 | 54% | 0.538 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.5 | -33.1 | 177.9 | -74.2 | 110.5 | 0 | 0 | 0 | 113.6 | D943 Y950 K951 | D943-W947 PolarHBondContact O-N 3.26Å; W947-Y950 PolarHBondContact O-N 2.93Å; W947-K951 WeakPolarHBondContact O-CB 3.29Å; W947-K951 WeakPolarHBondContact O-CG 3.42Å; W947-K951 PolarHBondContact O-N 3.2Å |
| 948 | N | 34.7 | Very low | 43.2 | Very low | 89 Ų | 89 | 108.6 Ų | 108.6 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.7 | -32.6 | 174.2 | -74.3 | -30.4 | 0 | 0 | 0 | 111.8 | N944 E945 Y950 R952 | N944-N948 WeakPolarHBondContact O-CB 3.27Å; N944-N948 PolarHBondContact O-N 2.98Å; N944-N948 PolarHBondContact O-ND2 3.36Å; N944-N948 VanDerWaalsContact O-ND2 3.07Å; E945-N948 PolarHBondContact O-N 2.84Å; N948-Y950 VanDerWaalsContact C-N 3.32Å; N948-R952 WeakPolarHBondContact O-CG 3.2Å; N948-R952 PolarHBondContact O-N 3Å |
| 949 | S | 34.8 | Very low | 40.8 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 58% | 0.58 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68 | -31.1 | 168.8 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | E945 F946 R952 | E945-S949 WeakPolarHBondContact O-CA 3.39Å; E945-S949 WeakPolarHBondContact O-CB 3.33Å; E945-S949 PolarHBondContact O-N 3.01Å; F946-S949 WeakPolarHBondContact O-CB 3.34Å; F946-S949 PolarHBondContact O-N 2.94Å; S949-R952 VanDerWaalsContact O-OXT 3.11Å |
| 950 | Y | 26.1 | Very low | 38.5 | Very low | 172 Ų | 172 | 119.3 Ų | 119.3 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -81.1 | -26.7 | 176.9 | -159.3 | -90.9 | 0 | 0 | 0 | 112.5 | F946 W947 N948 | F946-Y950 WeakPolarHBondContact O-CB 2.65Å; F946-Y950 PolarHBondContact O-N 3.26Å; W947-Y950 PolarHBondContact O-N 2.93Å; N948-Y950 VanDerWaalsContact C-N 3.32Å |
| 951 | K | 34.7 | Very low | 36.8 | Very low | 172 Ų | 172 | 126.3 Ų | 126.3 | 75% | 0.748 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80 | -29.6 | 174 | -82.9 | 179.7 | 178.8 | 173.4 | 0 | 113.6 | W947 | W947-K951 WeakPolarHBondContact O-CB 3.29Å; W947-K951 WeakPolarHBondContact O-CG 3.42Å; W947-K951 PolarHBondContact O-N 3.2Å |
| 952 | R | 34.9 | Very low | 35.5 | Very low | 272 Ų | 272 | 136.2 Ų | 136.2 | 100% | 1.026 | 62% | 0.624 | S | S | * | * | trans | -73.2 | 0 | 167.7 | -78.5 | -177.2 | -176.9 | 175.1 | 3.9 | 109.3 | N948 S949 | N948-R952 WeakPolarHBondContact O-CG 3.2Å; N948-R952 PolarHBondContact O-N 3Å; S949-R952 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 952 of 952 residues in 299.9 ms
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