| 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 | 29.8 | Very low | 55.1 | Low | 235 Ų | 235 | 124.4 Ų | 124.4 | 100% | 1.158 | 73% | 0.728 | S | S | * | * | 0 | 140.3 | 0 | -63.9 | -176.7 | -175.5 | 0 | 0 | 108.5 | |||||
| 2 | P | 31 | Very low | 57.7 | Low | 118 Ų | 118 | 116.1 Ų | 116.1 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | trans | -63.8 | 146.5 | 170.6 | 28.5 | -33.9 | 0 | 0 | 0 | 110.3 | V4 | P2-V4 PolarHBondContact O-N 3.44Å; P2-V4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | A | 42.3 | Very low | 60.2 | Low | 102 Ų | 102 | 109.2 Ų | 109.2 | 84% | 0.843 | 65% | 0.646 | S | S | * | * | trans | -64.9 | 115.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | S5 | A3-S5 PolarHBondContact O-N 3.19Š| ||
| 4 | V | 43.7 | Very low | 62.5 | Low | 135 Ų | 135 | 105.3 Ų | 105.3 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | trans | -64.8 | 122.6 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | P2 K6 | P2-V4 PolarHBondContact O-N 3.44Å; P2-V4 VanDerWaalsContact O-N 3.17Å; V4-K6 PolarHBondContact O-N 2.65Å | ||
| 5 | S | 43.1 | Very low | 64.7 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 76% | 0.762 | 62% | 0.619 | S | S | * | * | trans | -59.5 | 125.9 | -179.2 | -178 | 0 | 0 | 0 | 0 | 111.5 | A3 G7 | A3-S5 PolarHBondContact O-N 3.19Å; S5-G7 PolarHBondContact O-N 2.99Å | ||
| 6 | K | 50.6 | Low | 66.5 | Low | 211 Ų | 211 | 96.5 Ų | 96.5 | 92% | 0.917 | 58% | 0.58 | S | S | * | * | trans | -75.9 | 64.2 | 178.8 | -68.5 | -175.3 | 177.2 | -179.6 | 0 | 111.7 | V4 D8 | V4-K6 PolarHBondContact O-N 2.65Å; K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 3.18Å; K6-D8 VanDerWaalsContact O-N 3.16Å | ||
| 7 | G | 55.3 | Low | 68.2 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 73% | 0.732 | 56% | 0.56 | S | S | * | * | trans | -82 | 33.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S5 | S5-G7 PolarHBondContact O-N 2.99Š| ||
| 8 | D | 63.1 | Low | 69.7 | Low | 94 Ų | 94 | 91.6 Ų | 91.6 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | trans | -96.8 | 12.3 | -167.6 | -156.2 | 26.1 | 0 | 0 | 0 | 115.4 | K6 M10 K56 | K6-D8 VanDerWaalsContact C-N 3.3Å; K6-D8 PolarHBondContact O-N 3.18Å; K6-D8 VanDerWaalsContact O-N 3.16Å; D8-M10 PolarHBondContact O-N 3.34Å; D8-K56 IonicContact OD1-NZ 3.31Å | ||
| 9 | G | 73.8 | Confident | 71.1 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 59% | 0.588 | 54% | 0.538 | S | S | * | . | trans | -71 | 115.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y53 | G9-Y53 PolarHBondContact O-OH 3.48Š| ||
| 10 | M | 86.2 | Confident | 72.3 | Confident | 27 Ų | 27 | 86.1 Ų | 86.1 | 13% | 0.133 | 52% | 0.516 | C | S | . | . | trans | -98.8 | 77.8 | 167.3 | -65 | -159.2 | -120.7 | 0 | 0 | 111.8 | D8 G12 L13 A14 K56 K57 C60 I93 | D8-M10 PolarHBondContact O-N 3.34Å; M10-G12 PolarHBondContact O-N 3.23Å; M10-G12 VanDerWaalsContact O-N 3.1Å; M10-L13 HydrophobicContact CB-CB 3.98Å; M10-L13 WeakPolarHBondContact O-CB 3.37Å; M10-L13 PolarHBondContact O-N 2.9Å; M10-A14 PolarHBondContact O-N 3.07Å; M10-K56 HydrophobicContact CE-CD 3.91Å; M10-K56 HydrophobicContact CE-CG 3.94Å; M10-K56 HydrophobicContact SD-CD 4.38Å; M10-K56 HydrophobicContact SD-CG 4.14Å; M10-K57 HydrophobicContact SD-CB 4.28Å; M10-C60 HydrophobicContact CE-CB 4.29Å; M10-C60 HydrophobicContact SD-CB 4.33Å; M10-I93 HydrophobicContact CE-CD1 4.19Å; M10-I93 HydrophobicContact CE-CG1 4.13Å | ||
| 11 | R | 87.3 | Confident | 73.4 | Confident | 209 Ų | 209 | 91.8 Ų | 91.8 | 79% | 0.789 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -49.7 | -41.5 | -177.4 | -176.2 | 179.2 | 179.1 | -173.5 | 0.8 | 113.2 | L13 A14 V15 | R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.21Å; R11-A14 PolarHBondContact O-N 2.94Å; R11-V15 WeakPolarHBondContact O-CG2 3.5Å; R11-V15 PolarHBondContact O-N 3.12Å |
| 12 | G | 86.8 | Confident | 76.5 | Confident | 25 Ų | 25 | 86.4 Ų | 86.4 | 26% | 0.258 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -26.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | M10 F16 K61 | M10-G12 PolarHBondContact O-N 3.23Å; M10-G12 VanDerWaalsContact O-N 3.1Å; G12-F16 PolarHBondContact O-N 2.97Å; G12-K61 WeakPolarHBondContact O-CE 3.43Å; G12-K61 PolarHBondContact O-NZ 3.04Å |
| 13 | L | 90.4 | Very high | 79.6 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 14% | 0.136 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -76.3 | -47.9 | 172.8 | 177.7 | 66.9 | 0 | 0 | 0 | 110.1 | M10 R11 V15 F16 I17 C60 K61 F64 | M10-L13 HydrophobicContact CB-CB 3.98Å; M10-L13 WeakPolarHBondContact O-CB 3.37Å; M10-L13 PolarHBondContact O-N 2.9Å; R11-L13 VanDerWaalsContact C-N 3.3Å; R11-L13 PolarHBondContact O-N 3.21Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.47Å; L13-F16 WeakPolarHBondContact O-CB 3.4Å; L13-F16 PolarHBondContact O-N 2.8Å; L13-I17 HydrophobicContact CD1-CD1 4.1Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CD2-CD1 4.45Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.42Å; L13-C60 VanDerWaalsContact CD2-SG 3.56Å; L13-K61 HydrophobicContact CD1-CG 3.83Å; L13-F64 HydrophobicContact CD1-CB 4.34Å |
| 14 | A | 92.3 | Very high | 82.1 | Confident | 55 Ų | 55 | 87.7 Ų | 87.7 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -56 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M10 R11 F16 I17 S18 | M10-A14 PolarHBondContact O-N 3.07Å; R11-A14 PolarHBondContact O-N 2.94Å; A14-F16 PolarHBondContact O-N 2.78Å; A14-I17 PolarHBondContact O-N 2.83Å; A14-S18 PolarHBondContact O-N 3.13Å; A14-S18 PolarHBondContact O-OG 3.24Å |
| 15 | V | 94.5 | Very high | 84.6 | Confident | 70 Ų | 70 | 83.7 Ų | 83.7 | 42% | 0.424 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | R11 L13 S18 D19 | R11-V15 WeakPolarHBondContact O-CG2 3.5Å; R11-V15 PolarHBondContact O-N 3.12Å; L13-V15 VanDerWaalsContact C-N 3.32Å; L13-V15 PolarHBondContact O-N 3.47Å; V15-S18 PolarHBondContact O-N 3.31Å; V15-D19 PolarHBondContact O-N 2.88Å |
| 16 | F | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 179.5 | 176.3 | -124.2 | 0 | 0 | 0 | 112.8 | G12 L13 A14 D19 I20 R32 I33 E36 K61 F64 I65 | G12-F16 PolarHBondContact O-N 2.97Å; L13-F16 WeakPolarHBondContact O-CB 3.4Å; L13-F16 PolarHBondContact O-N 2.8Å; A14-F16 PolarHBondContact O-N 2.78Å; F16-D19 PolarHBondContact O-N 3.43Å; F16-I20 HydrophobicContact CD1-CD1 4.32Å; F16-I20 HydrophobicContact CD2-CD1 4.11Å; F16-I20 HydrophobicContact CE1-CD1 3.79Å; F16-I20 HydrophobicContact CE2-CD1 3.54Å; F16-I20 HydrophobicContact CE2-CG1 4.15Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.37Å; F16-I20 HydrophobicContact CZ-CG1 4.44Å; F16-I20 PolarHBondContact O-N 2.94Å; F16-R32 HydrophobicContact CE2-CG 4.46Å; F16-I33 HydrophobicContact CZ-CG1 4.4Å; F16-E36 HydrophobicContact CD1-CG 4.49Å; F16-E36 HydrophobicContact CD2-CB 4.08Å; F16-E36 HydrophobicContact CD2-CG 3.85Å; F16-E36 HydrophobicContact CE1-CG 4.29Å; F16-E36 HydrophobicContact CE2-CB 3.45Å; F16-E36 VanDerWaalsContact CE2-CB 3.45Å; F16-E36 HydrophobicContact CE2-CG 3.64Å; F16-E36 HydrophobicContact CG-CG 4.26Å; F16-E36 HydrophobicContact CZ-CB 3.78Å; F16-E36 HydrophobicContact CZ-CG 3.87Å; F16-K61 HydrophobicContact CB-CD 4.47Å; F16-K61 HydrophobicContact CD1-CB 4.44Å; F16-K61 HydrophobicContact CD1-CD 4.17Å; F16-K61 HydrophobicContact CD1-CG 3.98Å; F16-K61 HydrophobicContact CG-CD 4.42Å; F16-F64 HydrophobicContact CD1-CD1 4.22Å; F16-F64 AromaticContact CE1-CD1 3.95Å; F16-F64 HydrophobicContact CE1-CD1 3.95Å; F16-I65 HydrophobicContact CE1-CD1 3.9Å; F16-I65 HydrophobicContact CE1-CG1 3.67Å; F16-I65 HydrophobicContact CZ-CD1 3.7Å; F16-I65 HydrophobicContact CZ-CG1 3.67Å |
| 17 | I | 95.1 | Very high | 89.1 | Confident | 48 Ų | 48 | 80.1 Ų | 80.1 | 25% | 0.246 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 173.8 | -63.6 | 173.1 | 0 | 0 | 0 | 110.2 | L13 A14 I20 R21 F64 | L13-I17 HydrophobicContact CD1-CD1 4.1Å; L13-I17 HydrophobicContact CD1-CG1 4.31Å; L13-I17 HydrophobicContact CD2-CD1 4.45Å; L13-I17 HydrophobicContact CG-CD1 3.86Å; L13-I17 HydrophobicContact CG-CG1 4.42Å; L13-I17 WeakPolarHBondContact O-CG1 3.34Å; L13-I17 PolarHBondContact O-N 3.42Å; A14-I17 PolarHBondContact O-N 2.83Å; I17-I20 PolarHBondContact O-N 2.87Å; I17-R21 HydrophobicContact CG2-CG 4.43Å; I17-R21 WeakPolarHBondContact O-CB 3.18Å; I17-R21 WeakPolarHBondContact O-CG 3.42Å; I17-R21 PolarHBondContact O-N 3.13Å; I17-F64 HydrophobicContact CB-CZ 4.41Å; I17-F64 HydrophobicContact CD1-CD2 4.21Å; I17-F64 HydrophobicContact CD1-CE2 4.09Å; I17-F64 HydrophobicContact CD1-CZ 4.36Å; I17-F64 HydrophobicContact CG1-CD1 4.13Å; I17-F64 HydrophobicContact CG1-CD2 4.27Å; I17-F64 HydrophobicContact CG1-CE1 3.81Å; I17-F64 HydrophobicContact CG1-CE2 3.98Å; I17-F64 HydrophobicContact CG1-CG 4.35Å; I17-F64 HydrophobicContact CG1-CZ 3.75Å; I17-F64 HydrophobicContact CG2-CZ 4.19Å |
| 18 | S | 95.3 | Very high | 90.9 | Very high | 57 Ų | 57 | 78.5 Ų | 78.5 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 174.4 | -67.4 | 0 | 0 | 0 | 0 | 112.3 | A14 V15 I20 R21 N22 | A14-S18 PolarHBondContact O-N 3.13Å; A14-S18 PolarHBondContact O-OG 3.24Å; V15-S18 PolarHBondContact O-N 3.31Å; S18-I20 VanDerWaalsContact C-N 3.33Å; S18-I20 PolarHBondContact O-N 3.31Å; S18-R21 PolarHBondContact O-N 3.29Å; S18-N22 VanDerWaalsContact O-CB 3.27Å; S18-N22 WeakPolarHBondContact O-CB 3.3Å; S18-N22 PolarHBondContact O-N 2.76Å; S18-N22 PolarHBondContact O-ND2 3.03Å |
| 19 | D | 95.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 75.6 Ų | 75.6 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.4 | -44.3 | 176.5 | -68.1 | -17.3 | 0 | 0 | 0 | 111.6 | V15 F16 N22 C23 R32 | V15-D19 PolarHBondContact O-N 2.88Å; F16-D19 PolarHBondContact O-N 3.43Å; D19-N22 PolarHBondContact O-N 2.92Å; D19-C23 PolarHBondContact O-N 3.42Å; D19-C23 PolarHBondContact O-SG 3.49Å; D19-R32 HydrophobicContact CB-CG 4.07Å; D19-R32 IonicContact OD2-CZ 2.69Å; D19-R32 IonicContact OD2-NE 2.68Å; D19-R32 PolarHBondContact OD2-NE 3.18Å; D19-R32 IonicContact OD2-NH2 3.39Å; D19-R32 PolarHBondContact OD2-NH2 3.03Å |
| 20 | I | 95.3 | Very high | 93.5 | Very high | 16 Ų | 16 | 75.3 Ų | 75.3 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 176.7 | -79.7 | 170.4 | 0 | 0 | 0 | 111 | F16 I17 S18 N22 C23 E29 R32 I33 F64 L68 | F16-I20 HydrophobicContact CD1-CD1 4.32Å; F16-I20 HydrophobicContact CD2-CD1 4.11Å; F16-I20 HydrophobicContact CE1-CD1 3.79Å; F16-I20 HydrophobicContact CE2-CD1 3.54Å; F16-I20 HydrophobicContact CE2-CG1 4.15Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.37Å; F16-I20 HydrophobicContact CZ-CG1 4.44Å; F16-I20 PolarHBondContact O-N 2.94Å; I17-I20 PolarHBondContact O-N 2.87Å; S18-I20 VanDerWaalsContact C-N 3.33Å; S18-I20 PolarHBondContact O-N 3.31Å; I20-N22 PolarHBondContact O-N 2.87Å; I20-C23 VanDerWaalsContact O-CB 3.27Å; I20-C23 WeakPolarHBondContact O-CB 3.47Å; I20-C23 PolarHBondContact O-N 3.42Å; I20-E29 HydrophobicContact CG2-CG 4.22Å; I20-R32 HydrophobicContact CG1-CG 4.26Å; I20-I33 HydrophobicContact CD1-CD1 4.28Å; I20-I33 HydrophobicContact CD1-CG1 3.8Å; I20-I33 HydrophobicContact CG1-CG1 4.36Å; I20-F64 HydrophobicContact CD1-CD1 4.46Å; I20-F64 HydrophobicContact CD1-CE1 3.92Å; I20-L68 HydrophobicContact CD1-CD1 3.96Å; I20-L68 HydrophobicContact CG2-CD1 4.26Å |
| 21 | R | 95 | Very high | 94 | Very high | 205 Ų | 205 | 81.7 Ų | 81.7 | 77% | 0.774 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.6 | -23 | 177.5 | -71 | -177.6 | 68.4 | -144.5 | -2.5 | 113.7 | I17 S18 | I17-R21 HydrophobicContact CG2-CG 4.43Å; I17-R21 WeakPolarHBondContact O-CB 3.18Å; I17-R21 WeakPolarHBondContact O-CG 3.42Å; I17-R21 PolarHBondContact O-N 3.13Å; S18-R21 PolarHBondContact O-N 3.29Å |
| 22 | N | 96.1 | Very high | 94.4 | Very high | 122 Ų | 122 | 74.1 Ų | 74.1 | 65% | 0.652 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.1 | 175.8 | -68.7 | -19.1 | 0 | 0 | 0 | 113.3 | S18 D19 I20 K24 | S18-N22 VanDerWaalsContact O-CB 3.27Å; S18-N22 WeakPolarHBondContact O-CB 3.3Å; S18-N22 PolarHBondContact O-N 2.76Å; S18-N22 PolarHBondContact O-ND2 3.03Å; D19-N22 PolarHBondContact O-N 2.92Å; I20-N22 PolarHBondContact O-N 2.87Å; N22-K24 PolarHBondContact O-N 2.97Å |
| 23 | C | 95.4 | Very high | 94.8 | Very high | 37 Ų | 37 | 72.9 Ų | 72.9 | 25% | 0.25 | 37% | 0.369 | C | S | . | . | trans | -69.1 | 129 | 176.1 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | D19 I20 A28 E29 | D19-C23 PolarHBondContact O-N 3.42Å; D19-C23 PolarHBondContact O-SG 3.49Å; I20-C23 VanDerWaalsContact O-CB 3.27Å; I20-C23 WeakPolarHBondContact O-CB 3.47Å; I20-C23 PolarHBondContact O-N 3.42Å; C23-A28 HydrophobicContact CB-CB 4.09Å; C23-E29 HydrophobicContact CB-CB 4.16Å | ||
| 24 | K | 94.7 | Very high | 95.1 | Very high | 211 Ų | 211 | 75.9 Ų | 75.9 | 92% | 0.917 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -86.2 | -7.5 | -177.4 | -62.1 | -174.3 | 178.9 | -176.3 | 0 | 114.3 | N22 | N22-K24 PolarHBondContact O-N 2.97Š|
| 25 | S | 95.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 80.7 Ų | 80.7 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -153.4 | 162.5 | 179.8 | 85.2 | 0 | 0 | 0 | 0 | 111 | E27 A28 E29 | S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 WeakPolarHBondContact CB-OE2 3.18Å; S25-E27 PolarHBondContact O-N 3.27Å; S25-E27 PolarHBondContact OG-OE2 2.86Å; S25-A28 WeakPolarHBondContact O-CB 3.33Å; S25-A28 PolarHBondContact O-N 3.42Å; S25-A28 PolarHBondContact OG-N 2.81Å; S25-E29 PolarHBondContact O-N 2.92Å; S25-E29 VanDerWaalsContact O-N 3.11Å |
| 26 | K | 93.6 | Very high | 95.3 | Very high | 108 Ų | 108 | 77.8 Ų | 77.8 | 47% | 0.47 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.3 | -30.7 | -179.3 | -169.3 | 58.2 | 173.1 | 178.6 | 0 | 112 | E29 V30 | K26-E29 HydrophobicContact CD-CB 4.45Å; K26-E29 WeakPolarHBondContact CD-OE2 3.35Å; K26-E29 IonicContact NZ-OE1 3.07Å; K26-E29 PolarHBondContact NZ-OE1 3.27Å; K26-E29 IonicContact NZ-OE2 2.74Å; K26-E29 PolarHBondContact NZ-OE2 3.04Å; K26-E29 VanDerWaalsContact NZ-OE2 3.14Å; K26-E29 WeakPolarHBondContact O-CB 3.18Å; K26-E29 PolarHBondContact O-N 3.26Å; K26-V30 VanDerWaalsContact O-CG2 3.26Å; K26-V30 WeakPolarHBondContact O-CG2 3.45Å; K26-V30 PolarHBondContact O-N 3.26Å |
| 27 | E | 94.7 | Very high | 95.3 | Very high | 137 Ų | 137 | 79 Ų | 79 | 64% | 0.64 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.3 | -38.6 | 174.4 | -49.8 | 70.2 | -149.9 | 0 | 0 | 111.1 | S25 K31 | S25-E27 VanDerWaalsContact C-N 3.3Å; S25-E27 WeakPolarHBondContact CB-OE2 3.18Å; S25-E27 PolarHBondContact O-N 3.27Å; S25-E27 PolarHBondContact OG-OE2 2.86Å; E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 PolarHBondContact O-N 3.4Å |
| 28 | A | 94.4 | Very high | 95.3 | Very high | 37 Ų | 37 | 79.7 Ų | 79.7 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | C23 S25 K31 R32 | C23-A28 HydrophobicContact CB-CB 4.09Å; S25-A28 WeakPolarHBondContact O-CB 3.33Å; S25-A28 PolarHBondContact O-N 3.42Å; S25-A28 PolarHBondContact OG-N 2.81Å; A28-K31 PolarHBondContact O-N 3.44Å; A28-R32 WeakPolarHBondContact O-CB 3.42Å; A28-R32 PolarHBondContact O-N 3.48Å |
| 29 | E | 95.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 79.9 Ų | 79.9 | 15% | 0.154 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.7 | -54.3 | 174 | -169.3 | -163.5 | 133.7 | 0 | 0 | 111.4 | I20 C23 S25 K26 K31 R32 I33 H70 | I20-E29 HydrophobicContact CG2-CG 4.22Å; C23-E29 HydrophobicContact CB-CB 4.16Å; S25-E29 PolarHBondContact O-N 2.92Å; S25-E29 VanDerWaalsContact O-N 3.11Å; K26-E29 HydrophobicContact CD-CB 4.45Å; K26-E29 WeakPolarHBondContact CD-OE2 3.35Å; K26-E29 IonicContact NZ-OE1 3.07Å; K26-E29 PolarHBondContact NZ-OE1 3.27Å; K26-E29 IonicContact NZ-OE2 2.74Å; K26-E29 PolarHBondContact NZ-OE2 3.04Å; K26-E29 VanDerWaalsContact NZ-OE2 3.14Å; K26-E29 WeakPolarHBondContact O-CB 3.18Å; K26-E29 PolarHBondContact O-N 3.26Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 2.93Å; E29-R32 WeakPolarHBondContact O-CA 3.16Å; E29-R32 WeakPolarHBondContact O-CB 3.39Å; E29-R32 PolarHBondContact O-N 3.11Å; E29-I33 HydrophobicContact CG-CD1 4.03Å; E29-I33 WeakPolarHBondContact O-CG1 3.3Å; E29-I33 PolarHBondContact O-N 3.49Å; E29-H70 IonicContact OE1-NE2 3.66Å |
| 30 | V | 95.6 | Very high | 95.1 | Very high | 50 Ų | 50 | 77.1 Ų | 77.1 | 30% | 0.303 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 177.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | K26 R32 I33 N34 | K26-V30 VanDerWaalsContact O-CG2 3.26Å; K26-V30 WeakPolarHBondContact O-CG2 3.45Å; K26-V30 PolarHBondContact O-N 3.26Å; V30-R32 PolarHBondContact O-N 3.19Å; V30-I33 PolarHBondContact O-N 3.29Å; V30-N34 WeakPolarHBondContact O-CB 3.34Å; V30-N34 VanDerWaalsContact O-CG 3.28Å; V30-N34 PolarHBondContact O-N 3.36Å; V30-N34 PolarHBondContact O-ND2 2.86Å |
| 31 | K | 95.7 | Very high | 95 | Very high | 162 Ų | 162 | 80.5 Ų | 80.5 | 70% | 0.704 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 175.9 | -171.5 | 174.2 | -174.8 | 174 | 0 | 112.1 | E27 A28 E29 K35 | E27-K31 WeakPolarHBondContact O-CB 3.47Å; E27-K31 PolarHBondContact O-N 3.4Å; A28-K31 PolarHBondContact O-N 3.44Å; E29-K31 VanDerWaalsContact C-N 3.3Å; E29-K31 PolarHBondContact O-N 2.93Å; K31-K35 WeakPolarHBondContact O-CB 3.39Å; K31-K35 PolarHBondContact O-N 2.86Å; K31-K35 VanDerWaalsContact O-N 3.11Å |
| 32 | R | 96.1 | Very high | 94.8 | Very high | 49 Ų | 49 | 74.5 Ų | 74.5 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 176.8 | -177.7 | 63.5 | -166.6 | 86.6 | -4.3 | 112.1 | F16 D19 I20 A28 E29 V30 E36 | F16-R32 HydrophobicContact CE2-CG 4.46Å; D19-R32 HydrophobicContact CB-CG 4.07Å; D19-R32 IonicContact OD2-CZ 2.69Å; D19-R32 IonicContact OD2-NE 2.68Å; D19-R32 PolarHBondContact OD2-NE 3.18Å; D19-R32 IonicContact OD2-NH2 3.39Å; D19-R32 PolarHBondContact OD2-NH2 3.03Å; I20-R32 HydrophobicContact CG1-CG 4.26Å; A28-R32 WeakPolarHBondContact O-CB 3.42Å; A28-R32 PolarHBondContact O-N 3.48Å; E29-R32 WeakPolarHBondContact O-CA 3.16Å; E29-R32 WeakPolarHBondContact O-CB 3.39Å; E29-R32 PolarHBondContact O-N 3.11Å; V30-R32 PolarHBondContact O-N 3.19Å; R32-E36 IonicContact CZ-OE2 2.89Å; R32-E36 VanDerWaalsContact CZ-OE2 3.28Å; R32-E36 IonicContact NH1-OE2 2.72Å; R32-E36 PolarHBondContact NH1-OE2 3.34Å; R32-E36 IonicContact NH2-OE2 3.99Å; R32-E36 PolarHBondContact NH2-OE2 2.98Å; R32-E36 PolarHBondContact O-N 3.35Å |
| 33 | I | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -52.5 | 175.3 | -71.8 | 171.2 | 0 | 0 | 0 | 110.3 | F16 I20 E29 V30 K35 E36 L37 I65 L68 H70 | F16-I33 HydrophobicContact CZ-CG1 4.4Å; I20-I33 HydrophobicContact CD1-CD1 4.28Å; I20-I33 HydrophobicContact CD1-CG1 3.8Å; I20-I33 HydrophobicContact CG1-CG1 4.36Å; E29-I33 HydrophobicContact CG-CD1 4.03Å; E29-I33 WeakPolarHBondContact O-CG1 3.3Å; E29-I33 PolarHBondContact O-N 3.49Å; V30-I33 PolarHBondContact O-N 3.29Å; I33-K35 VanDerWaalsContact C-N 3.27Å; I33-K35 PolarHBondContact O-N 2.92Å; I33-E36 CarbonylContact O-C 3.57Å; I33-E36 WeakPolarHBondContact O-CA 3.3Å; I33-E36 WeakPolarHBondContact O-CB 3.29Å; I33-E36 PolarHBondContact O-N 2.73Å; I33-L37 HydrophobicContact CG2-CD1 3.93Å; I33-L37 HydrophobicContact CG2-CG 4.24Å; I33-L37 PolarHBondContact O-N 3.43Å; I33-I65 HydrophobicContact CG2-CD1 4.34Å; I33-I65 HydrophobicContact CG2-CG1 4.27Å; I33-I65 HydrophobicContact CG2-CG2 3.61Å; I33-L68 HydrophobicContact CD1-CD1 4.04Å; I33-H70 WeakPolarHBondContact CD1-NE2 3.28Å |
| 34 | N | 94.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 72.9 Ų | 72.9 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 178.4 | -72.7 | -16.4 | 0 | 0 | 0 | 112.3 | V30 E36 L37 A38 | V30-N34 WeakPolarHBondContact O-CB 3.34Å; V30-N34 VanDerWaalsContact O-CG 3.28Å; V30-N34 PolarHBondContact O-N 3.36Å; V30-N34 PolarHBondContact O-ND2 2.86Å; N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 3.25Å; N34-L37 PolarHBondContact O-N 3.28Å; N34-A38 WeakPolarHBondContact O-CB 3.43Å; N34-A38 PolarHBondContact O-N 3.42Å |
| 35 | K | 95.8 | Very high | 93.9 | Very high | 155 Ų | 155 | 71 Ų | 71 | 67% | 0.674 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -61.8 | -37.9 | 172.8 | -175.3 | 177.3 | -179.5 | 179.8 | 0 | 112.6 | K31 I33 N39 | K31-K35 WeakPolarHBondContact O-CB 3.39Å; K31-K35 PolarHBondContact O-N 2.86Å; K31-K35 VanDerWaalsContact O-N 3.11Å; I33-K35 VanDerWaalsContact C-N 3.27Å; I33-K35 PolarHBondContact O-N 2.92Å; K35-N39 WeakPolarHBondContact O-CB 3.4Å; K35-N39 PolarHBondContact O-N 2.94Å |
| 36 | E | 95.4 | Very high | 93.2 | Very high | 10 Ų | 10 | 70.4 Ų | 70.4 | 5% | 0.047 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -75.4 | -40.6 | 177 | -158.5 | 68.4 | -145.6 | 0 | 0 | 112.1 | F16 R32 I33 N34 A38 N39 I40 K61 | F16-E36 HydrophobicContact CD1-CG 4.49Å; F16-E36 HydrophobicContact CD2-CB 4.08Å; F16-E36 HydrophobicContact CD2-CG 3.85Å; F16-E36 HydrophobicContact CE1-CG 4.29Å; F16-E36 HydrophobicContact CE2-CB 3.45Å; F16-E36 VanDerWaalsContact CE2-CB 3.45Å; F16-E36 HydrophobicContact CE2-CG 3.64Å; F16-E36 HydrophobicContact CG-CG 4.26Å; F16-E36 HydrophobicContact CZ-CB 3.78Å; F16-E36 HydrophobicContact CZ-CG 3.87Å; R32-E36 IonicContact CZ-OE2 2.89Å; R32-E36 VanDerWaalsContact CZ-OE2 3.28Å; R32-E36 IonicContact NH1-OE2 2.72Å; R32-E36 PolarHBondContact NH1-OE2 3.34Å; R32-E36 IonicContact NH2-OE2 3.99Å; R32-E36 PolarHBondContact NH2-OE2 2.98Å; R32-E36 PolarHBondContact O-N 3.35Å; I33-E36 CarbonylContact O-C 3.57Å; I33-E36 WeakPolarHBondContact O-CA 3.3Å; I33-E36 WeakPolarHBondContact O-CB 3.29Å; I33-E36 PolarHBondContact O-N 2.73Å; N34-E36 VanDerWaalsContact C-N 3.33Å; N34-E36 PolarHBondContact O-N 3.25Å; E36-A38 VanDerWaalsContact C-N 3.35Å; E36-A38 PolarHBondContact O-N 3.46Å; E36-N39 WeakPolarHBondContact O-CB 3.42Å; E36-N39 PolarHBondContact O-N 3.48Å; E36-N39 PolarHBondContact OE1-ND2 3.32Å; E36-I40 HydrophobicContact CG-CD1 3.99Å; E36-I40 HydrophobicContact CG-CG1 4.45Å; E36-I40 VanDerWaalsContact O-CG1 3.28Å; E36-I40 WeakPolarHBondContact O-CG1 3.25Å; E36-I40 PolarHBondContact O-N 3.48Å; E36-K61 VanDerWaalsContact CD-NZ 3.27Å; E36-K61 HydrophobicContact CG-CD 4Å; E36-K61 IonicContact OE1-NZ 3.95Å; E36-K61 PolarHBondContact OE1-NZ 2.94Å; E36-K61 IonicContact OE2-NZ 2.86Å |
| 37 | L | 95.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 73.6 Ų | 73.6 | 13% | 0.126 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 174.8 | -69.8 | 175.6 | 0 | 0 | 0 | 111.3 | I33 N34 N39 I40 R41 L62 I65 I72 F74 | I33-L37 HydrophobicContact CG2-CD1 3.93Å; I33-L37 HydrophobicContact CG2-CG 4.24Å; I33-L37 PolarHBondContact O-N 3.43Å; N34-L37 PolarHBondContact O-N 3.28Å; L37-N39 PolarHBondContact O-N 2.87Å; L37-I40 PolarHBondContact O-N 3.09Å; L37-R41 VanDerWaalsContact O-CB 3.29Å; L37-R41 WeakPolarHBondContact O-CB 3.33Å; L37-R41 PolarHBondContact O-N 2.97Å; L37-L62 HydrophobicContact CD2-CD2 3.62Å; L37-I65 HydrophobicContact CD2-CD1 3.61Å; L37-I65 HydrophobicContact CD2-CG2 4.26Å; L37-I65 HydrophobicContact CG-CD1 4.02Å; L37-I72 HydrophobicContact CD2-CD1 3.63Å; L37-F74 HydrophobicContact CD2-CE1 4.16Å; L37-F74 HydrophobicContact CD2-CZ 4.4Å |
| 38 | A | 94.3 | Very high | 91 | Very high | 63 Ų | 63 | 76 Ų | 76 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N34 E36 R41 S42 | N34-A38 WeakPolarHBondContact O-CB 3.43Å; N34-A38 PolarHBondContact O-N 3.42Å; E36-A38 VanDerWaalsContact C-N 3.35Å; E36-A38 PolarHBondContact O-N 3.46Å; A38-R41 PolarHBondContact O-N 3.44Å; A38-S42 WeakPolarHBondContact O-CB 3.25Å; A38-S42 PolarHBondContact O-N 3.03Å |
| 39 | N | 93.5 | Very high | 90.2 | Very high | 61 Ų | 61 | 79 Ų | 79 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -48 | 174.8 | 176.1 | 45.8 | 0 | 0 | 0 | 111.9 | K35 E36 L37 S42 K43 | K35-N39 WeakPolarHBondContact O-CB 3.4Å; K35-N39 PolarHBondContact O-N 2.94Å; E36-N39 WeakPolarHBondContact O-CB 3.42Å; E36-N39 PolarHBondContact O-N 3.48Å; E36-N39 PolarHBondContact OE1-ND2 3.32Å; L37-N39 PolarHBondContact O-N 2.87Å; N39-S42 PolarHBondContact O-N 3.04Å; N39-K43 WeakPolarHBondContact O-CG 3.37Å; N39-K43 PolarHBondContact O-N 3.04Å |
| 40 | I | 94.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 79.2 Ų | 79.2 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 179.3 | -63.4 | 165 | 0 | 0 | 0 | 110.6 | E36 L37 S42 K43 F44 Y58 K61 L62 F74 | E36-I40 HydrophobicContact CG-CD1 3.99Å; E36-I40 HydrophobicContact CG-CG1 4.45Å; E36-I40 VanDerWaalsContact O-CG1 3.28Å; E36-I40 WeakPolarHBondContact O-CG1 3.25Å; E36-I40 PolarHBondContact O-N 3.48Å; L37-I40 PolarHBondContact O-N 3.09Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.23Å; I40-K43 PolarHBondContact O-N 3.48Å; I40-K43 VanDerWaalsContact O-N 3.08Å; I40-F44 HydrophobicContact CG2-CD1 4.39Å; I40-F44 HydrophobicContact CG2-CD2 3.96Å; I40-F44 HydrophobicContact CG2-CE1 4.1Å; I40-F44 HydrophobicContact CG2-CE2 3.62Å; I40-F44 HydrophobicContact CG2-CG 4.35Å; I40-F44 HydrophobicContact CG2-CZ 3.7Å; I40-F44 PolarHBondContact O-N 3.44Å; I40-Y58 HydrophobicContact CD1-CD1 4.5Å; I40-Y58 HydrophobicContact CG1-CD1 3.75Å; I40-Y58 HydrophobicContact CG1-CE1 4.44Å; I40-Y58 HydrophobicContact CG1-CG 4.31Å; I40-Y58 HydrophobicContact CG2-CG 4.44Å; I40-K61 HydrophobicContact CD1-CB 3.75Å; I40-K61 HydrophobicContact CD1-CD 4.23Å; I40-L62 HydrophobicContact CB-CD2 4.36Å; I40-L62 HydrophobicContact CD1-CD2 3.76Å; I40-L62 HydrophobicContact CD1-CG 4.12Å; I40-L62 HydrophobicContact CG2-CD1 4.01Å; I40-L62 HydrophobicContact CG2-CD2 4.03Å; I40-L62 HydrophobicContact CG2-CG 4.06Å; I40-F74 HydrophobicContact CB-CE2 4.4Å; I40-F74 HydrophobicContact CB-CZ 4.39Å; I40-F74 HydrophobicContact CG2-CE2 3.96Å; I40-F74 HydrophobicContact CG2-CZ 4.31Å |
| 41 | R | 92.3 | Very high | 89.3 | Confident | 86 Ų | 86 | 80.9 Ų | 80.9 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.5 | -166.7 | 176.3 | -64 | -136.8 | -0.4 | 111.8 | L37 A38 K45 D73 F74 | L37-R41 VanDerWaalsContact O-CB 3.29Å; L37-R41 WeakPolarHBondContact O-CB 3.33Å; L37-R41 PolarHBondContact O-N 2.97Å; A38-R41 PolarHBondContact O-N 3.44Å; R41-K45 HydrophobicContact CG-CD 4.49Å; R41-K45 WeakPolarHBondContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CG 3.42Å; R41-K45 PolarHBondContact O-N 3.31Å; R41-K45 VanDerWaalsContact O-N 3.1Å; R41-D73 IonicContact CZ-OD1 2.77Å; R41-D73 IonicContact CZ-OD2 3.86Å; R41-D73 VanDerWaalsContact CZ-OD2 3.31Å; R41-D73 IonicContact NH1-OD2 3.55Å; R41-D73 PolarHBondContact NH1-OD2 2.95Å; R41-D73 IonicContact NH2-OD1 3.23Å; R41-D73 PolarHBondContact NH2-OD1 3.24Å; R41-D73 IonicContact NH2-OD2 3.58Å; R41-D73 PolarHBondContact NH2-OD2 3.4Å; R41-F74 VanDerWaalsContact CA-CE2 3.47Å; R41-F74 HydrophobicContact CB-CD2 4.31Å; R41-F74 HydrophobicContact CB-CE2 3.63Å; R41-F74 HydrophobicContact CB-CZ 3.77Å; R41-F74 HydrophobicContact CG-CD2 4.29Å; R41-F74 HydrophobicContact CG-CE2 4.11Å; R41-F74 HydrophobicContact CG-CZ 4.43Å; R41-F74 VanDerWaalsContact NH2-CE1 3.32Å |
| 42 | S | 91.3 | Very high | 88.9 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 56% | 0.559 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.1 | -39.6 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 112.5 | A38 N39 I40 G46 | A38-S42 WeakPolarHBondContact O-CB 3.25Å; A38-S42 PolarHBondContact O-N 3.03Å; N39-S42 PolarHBondContact O-N 3.04Å; I40-S42 VanDerWaalsContact C-N 3.33Å; I40-S42 PolarHBondContact O-N 3.23Å; S42-G46 PolarHBondContact O-N 3.09Å |
| 43 | K | 90.4 | Very high | 88.6 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.7 | -32.1 | 178.6 | -67.8 | -62.7 | 176.9 | -166.3 | 0 | 113.7 | N39 I40 L50 Y58 | N39-K43 WeakPolarHBondContact O-CG 3.37Å; N39-K43 PolarHBondContact O-N 3.04Å; I40-K43 PolarHBondContact O-N 3.48Å; I40-K43 VanDerWaalsContact O-N 3.08Å; K43-L50 HydrophobicContact CB-CD1 4.32Å; K43-L50 WeakPolarHBondContact O-CD1 3.36Å; K43-Y58 HydrophobicContact CB-CD2 4.48Å; K43-Y58 HydrophobicContact CB-CE2 4.04Å; K43-Y58 HydrophobicContact CG-CE2 4.15Å |
| 44 | F | 90.4 | Very high | 88.2 | Confident | 30 Ų | 30 | 77 Ų | 77 | 13% | 0.132 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -76.7 | -32.2 | 175.3 | -69.4 | -7.2 | 0 | 0 | 0 | 112.7 | I40 L50 Y58 V59 L62 F74 E78 | I40-F44 HydrophobicContact CG2-CD1 4.39Å; I40-F44 HydrophobicContact CG2-CD2 3.96Å; I40-F44 HydrophobicContact CG2-CE1 4.1Å; I40-F44 HydrophobicContact CG2-CE2 3.62Å; I40-F44 HydrophobicContact CG2-CG 4.35Å; I40-F44 HydrophobicContact CG2-CZ 3.7Å; I40-F44 PolarHBondContact O-N 3.44Å; F44-L50 HydrophobicContact CD1-CD1 3.64Å; F44-L50 HydrophobicContact CE1-CD1 3.95Å; F44-Y58 HydrophobicContact CE1-CD2 4.1Å; F44-Y58 HydrophobicContact CE1-CG 4.26Å; F44-V59 HydrophobicContact CZ-CG2 4.11Å; F44-L62 HydrophobicContact CE2-CD1 3.72Å; F44-L62 HydrophobicContact CZ-CD1 4.38Å; F44-F74 HydrophobicContact CD2-CD2 4.06Å; F44-F74 HydrophobicContact CD2-CE2 4.1Å; F44-E78 HydrophobicContact CB-CG 4.44Å; F44-E78 HydrophobicContact CD1-CG 4.01Å; F44-E78 HydrophobicContact CD2-CB 4.42Å; F44-E78 HydrophobicContact CD2-CG 3.7Å; F44-E78 HydrophobicContact CE1-CB 4.46Å; F44-E78 HydrophobicContact CE1-CG 4.09Å; F44-E78 HydrophobicContact CE2-CB 4.02Å; F44-E78 HydrophobicContact CE2-CG 3.81Å; F44-E78 HydrophobicContact CG-CG 3.82Å; F44-E78 HydrophobicContact CZ-CB 4.04Å; F44-E78 HydrophobicContact CZ-CG 4Å |
| 45 | K | 86.8 | Confident | 88.1 | Confident | 170 Ų | 170 | 75.5 Ų | 75.5 | 74% | 0.739 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -86.6 | 0.1 | 177.6 | -69 | -169.2 | 174.2 | -163.5 | 0 | 115.6 | R41 | R41-K45 HydrophobicContact CG-CD 4.49Å; R41-K45 WeakPolarHBondContact O-CB 3.3Å; R41-K45 WeakPolarHBondContact O-CG 3.42Å; R41-K45 PolarHBondContact O-N 3.31Å; R41-K45 VanDerWaalsContact O-N 3.1Å |
| 46 | G | 80.6 | Confident | 87.9 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -86.5 | 144.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | S42 K48 | S42-G46 PolarHBondContact O-N 3.09Å; G46-K48 PolarHBondContact O-N 3.37Å |
| 47 | D | 63.9 | Low | 87.8 | Confident | 174 Ų | 174 | 69.5 Ų | 69.5 | 93% | 0.93 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -59.6 | -16.3 | -176.4 | -55.6 | -42.6 | 0 | 0 | 0 | 115.2 | A49 | D47-A49 PolarHBondContact O-N 2.9Š|
| 48 | K | 77.8 | Confident | 87.8 | Confident | 187 Ų | 187 | 69.5 Ų | 69.5 | 81% | 0.813 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -85.6 | 107.3 | 177.5 | -67.4 | -170.2 | 178.9 | -174.6 | 0 | 110.4 | G46 L50 | G46-K48 PolarHBondContact O-N 3.37Å; K48-L50 PolarHBondContact O-N 3.17Å; K48-L50 VanDerWaalsContact O-N 3.09Å |
| 49 | A | 77.9 | Confident | 87.8 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 84% | 0.835 | 35% | 0.35 | S | S | * | . | trans | -49.8 | 115.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D47 | D47-A49 PolarHBondContact O-N 2.9Š| ||
| 50 | L | 85.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 20% | 0.199 | 34% | 0.34 | C | S | . | . | trans | -68.7 | 140.3 | 178.3 | -67.5 | 173.7 | 0 | 0 | 0 | 111.4 | K43 F44 K48 K55 Y58 | K43-L50 HydrophobicContact CB-CD1 4.32Å; K43-L50 WeakPolarHBondContact O-CD1 3.36Å; F44-L50 HydrophobicContact CD1-CD1 3.64Å; F44-L50 HydrophobicContact CE1-CD1 3.95Å; K48-L50 PolarHBondContact O-N 3.17Å; K48-L50 VanDerWaalsContact O-N 3.09Å; L50-K55 HydrophobicContact CB-CD 4.5Å; L50-K55 HydrophobicContact CB-CG 3.74Å; L50-K55 HydrophobicContact CD1-CG 4.38Å; L50-K55 VanDerWaalsContact O-CE 3.28Å; L50-K55 WeakPolarHBondContact O-CE 3.17Å; L50-Y58 HydrophobicContact CD1-CD2 4.13Å; L50-Y58 HydrophobicContact CD1-CE2 4.36Å; L50-Y58 HydrophobicContact CD2-CE2 4.43Å | ||
| 51 | D | 87.9 | Confident | 87.8 | Confident | 84 Ų | 84 | 65.1 Ų | 65.1 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | trans | -65.7 | 156.3 | 170.7 | 74.4 | -77.7 | 0 | 0 | 0 | 111.8 | Y53 S54 K55 | D51-Y53 VanDerWaalsContact C-N 3.26Å; D51-Y53 PolarHBondContact O-N 3.22Å; D51-Y53 WeakPolarHBondContact OD2-CA 3.37Å; D51-Y53 VanDerWaalsContact OD2-CB 3.26Å; D51-Y53 WeakPolarHBondContact OD2-CB 3.36Å; D51-Y53 PolarHBondContact OD2-N 3.39Å; D51-S54 PolarHBondContact O-N 3.48Å; D51-S54 VanDerWaalsContact O-N 3.12Å; D51-S54 WeakPolarHBondContact OD1-CB 3.22Å; D51-S54 PolarHBondContact OD1-OG 3.26Å; D51-S54 PolarHBondContact OD2-N 3.38Å; D51-K55 PolarHBondContact O-N 2.91Å | ||
| 52 | G | 86.1 | Confident | 88 | Confident | 21 Ų | 21 | 61 Ų | 61 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -33.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K56 E90 | G52-K56 VanDerWaalsContact O-CB 3.27Å; G52-K56 WeakPolarHBondContact O-CB 3.21Å; G52-K56 PolarHBondContact O-N 3.46Å; G52-E90 WeakPolarHBondContact CA-OE1 3.48Å |
| 53 | Y | 89.8 | Confident | 88.1 | Confident | 93 Ų | 93 | 57.6 Ų | 57.6 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -72 | -40.7 | 176.8 | 176.2 | -88 | 0 | 0 | 0 | 111.4 | G9 D51 K57 | G9-Y53 PolarHBondContact O-OH 3.48Å; D51-Y53 VanDerWaalsContact C-N 3.26Å; D51-Y53 PolarHBondContact O-N 3.22Å; D51-Y53 WeakPolarHBondContact OD2-CA 3.37Å; D51-Y53 VanDerWaalsContact OD2-CB 3.26Å; D51-Y53 WeakPolarHBondContact OD2-CB 3.36Å; D51-Y53 PolarHBondContact OD2-N 3.39Å; Y53-K57 HydrophobicContact CE1-CD 4.41Å; Y53-K57 WeakPolarHBondContact O-CB 3.41Å; Y53-K57 PolarHBondContact O-N 3.46Å |
| 54 | S | 89.6 | Confident | 88.4 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 12% | 0.119 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.5 | -42 | 173.3 | -69 | 0 | 0 | 0 | 0 | 112.8 | D51 K57 Y58 | D51-S54 PolarHBondContact O-N 3.48Å; D51-S54 VanDerWaalsContact O-N 3.12Å; D51-S54 WeakPolarHBondContact OD1-CB 3.22Å; D51-S54 PolarHBondContact OD1-OG 3.26Å; D51-S54 PolarHBondContact OD2-N 3.38Å; S54-K57 PolarHBondContact O-N 2.9Å; S54-K57 PolarHBondContact OG-NZ 3.31Å; S54-Y58 WeakPolarHBondContact O-CD2 3.43Å; S54-Y58 PolarHBondContact O-N 2.96Å |
| 55 | K | 90.9 | Very high | 88.6 | Confident | 57 Ų | 57 | 54 Ų | 54 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.6 | -54 | 173.2 | -71.7 | -177 | 177.6 | 178 | 0 | 110.7 | L50 D51 K57 Y58 V59 L82 | L50-K55 HydrophobicContact CB-CD 4.5Å; L50-K55 HydrophobicContact CB-CG 3.74Å; L50-K55 HydrophobicContact CD1-CG 4.38Å; L50-K55 VanDerWaalsContact O-CE 3.28Å; L50-K55 WeakPolarHBondContact O-CE 3.17Å; D51-K55 PolarHBondContact O-N 2.91Å; K55-K57 VanDerWaalsContact C-N 3.34Å; K55-K57 PolarHBondContact O-N 3.16Å; K55-Y58 PolarHBondContact O-N 3.24Å; K55-V59 WeakPolarHBondContact O-CG2 3.5Å; K55-V59 PolarHBondContact O-N 3.04Å; K55-L82 HydrophobicContact CB-CD2 3.9Å; K55-L82 HydrophobicContact CB-CG 4.45Å |
| 56 | K | 92.8 | Very high | 89 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -49.6 | -52 | 175.1 | -177 | -179.5 | 72.1 | 160.4 | 0 | 112.1 | D8 M10 G52 Y58 C60 L82 T89 E90 I93 | D8-K56 IonicContact OD1-NZ 3.31Å; M10-K56 HydrophobicContact CE-CD 3.91Å; M10-K56 HydrophobicContact CE-CG 3.94Å; M10-K56 HydrophobicContact SD-CD 4.38Å; M10-K56 HydrophobicContact SD-CG 4.14Å; G52-K56 VanDerWaalsContact O-CB 3.27Å; G52-K56 WeakPolarHBondContact O-CB 3.21Å; G52-K56 PolarHBondContact O-N 3.46Å; K56-Y58 PolarHBondContact O-N 3.33Å; K56-C60 VanDerWaalsContact O-CB 3.24Å; K56-C60 WeakPolarHBondContact O-CB 3.48Å; K56-C60 PolarHBondContact O-N 3.46Å; K56-L82 HydrophobicContact CB-CD2 4.46Å; K56-T89 WeakPolarHBondContact CD-O 3.38Å; K56-T89 VanDerWaalsContact NZ-CB 3.35Å; K56-T89 PolarHBondContact NZ-OG1 3.49Å; K56-E90 HydrophobicContact CB-CG 4.31Å; K56-E90 HydrophobicContact CD-CG 4.28Å; K56-I93 HydrophobicContact CD-CG1 4.1Å; K56-I93 HydrophobicContact CG-CB 3.96Å; K56-I93 HydrophobicContact CG-CG1 3.72Å; K56-I93 HydrophobicContact CG-CG2 4.21Å |
| 57 | K | 93.8 | Very high | 89.7 | Confident | 31 Ų | 31 | 52.9 Ų | 52.9 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | -179.3 | 175.2 | -166 | 74.3 | -156.1 | 0 | 112.8 | M10 Y53 S54 K55 K61 | M10-K57 HydrophobicContact SD-CB 4.28Å; Y53-K57 HydrophobicContact CE1-CD 4.41Å; Y53-K57 WeakPolarHBondContact O-CB 3.41Å; Y53-K57 PolarHBondContact O-N 3.46Å; S54-K57 PolarHBondContact O-N 2.9Å; S54-K57 PolarHBondContact OG-NZ 3.31Å; K55-K57 VanDerWaalsContact C-N 3.34Å; K55-K57 PolarHBondContact O-N 3.16Å; K57-K61 WeakPolarHBondContact O-CG 3.5Å; K57-K61 PolarHBondContact O-N 2.97Å |
| 58 | Y | 94.2 | Very high | 91.1 | Very high | 25 Ų | 25 | 47.5 Ų | 47.5 | 10% | 0.098 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.4 | -40.7 | -178.8 | -67.7 | -49.3 | 0 | 0 | 0 | 112.6 | I40 K43 F44 L50 S54 K55 K56 C60 K61 L62 | I40-Y58 HydrophobicContact CD1-CD1 4.5Å; I40-Y58 HydrophobicContact CG1-CD1 3.75Å; I40-Y58 HydrophobicContact CG1-CE1 4.44Å; I40-Y58 HydrophobicContact CG1-CG 4.31Å; I40-Y58 HydrophobicContact CG2-CG 4.44Å; K43-Y58 HydrophobicContact CB-CD2 4.48Å; K43-Y58 HydrophobicContact CB-CE2 4.04Å; K43-Y58 HydrophobicContact CG-CE2 4.15Å; F44-Y58 HydrophobicContact CE1-CD2 4.1Å; F44-Y58 HydrophobicContact CE1-CG 4.26Å; L50-Y58 HydrophobicContact CD1-CD2 4.13Å; L50-Y58 HydrophobicContact CD1-CE2 4.36Å; L50-Y58 HydrophobicContact CD2-CE2 4.43Å; S54-Y58 WeakPolarHBondContact O-CD2 3.43Å; S54-Y58 PolarHBondContact O-N 2.96Å; K55-Y58 PolarHBondContact O-N 3.24Å; K56-Y58 PolarHBondContact O-N 3.33Å; Y58-C60 VanDerWaalsContact C-N 3.29Å; Y58-C60 PolarHBondContact O-N 2.83Å; Y58-K61 HydrophobicContact CD1-CD 4.48Å; Y58-K61 WeakPolarHBondContact O-CB 3.38Å; Y58-K61 PolarHBondContact O-N 2.89Å; Y58-K61 VanDerWaalsContact O-N 3.11Å; Y58-L62 PolarHBondContact O-N 3.14Å |
| 59 | V | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | F44 K55 K61 L62 L63 E78 A79 L82 I93 F97 | F44-V59 HydrophobicContact CZ-CG2 4.11Å; K55-V59 WeakPolarHBondContact O-CG2 3.5Å; K55-V59 PolarHBondContact O-N 3.04Å; V59-K61 VanDerWaalsContact C-N 3.33Å; V59-K61 PolarHBondContact O-N 3.38Å; V59-L62 PolarHBondContact O-N 3.33Å; V59-L63 PolarHBondContact O-N 3.31Å; V59-E78 HydrophobicContact CG2-CB 4.05Å; V59-A79 HydrophobicContact CG1-CB 3.99Å; V59-L82 HydrophobicContact CB-CD1 4.03Å; V59-L82 HydrophobicContact CG1-CD1 4.23Å; V59-L82 HydrophobicContact CG2-CD1 3.88Å; V59-I93 HydrophobicContact CB-CG2 4.16Å; V59-I93 HydrophobicContact CG1-CG2 3.85Å; V59-F97 HydrophobicContact CG1-CB 3.71Å; V59-F97 HydrophobicContact CG1-CD1 4.48Å; V59-F97 HydrophobicContact CG1-CD2 3.44Å; V59-F97 VanDerWaalsContact CG1-CD2 3.44Å; V59-F97 HydrophobicContact CG1-CE2 4.17Å; V59-F97 HydrophobicContact CG1-CG 3.63Å |
| 60 | C | 94.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.1 | -32.7 | 175.3 | -167.4 | 0 | 0 | 0 | 0 | 113.2 | M10 L13 K56 Y58 F64 I93 | M10-C60 HydrophobicContact CE-CB 4.29Å; M10-C60 HydrophobicContact SD-CB 4.33Å; L13-C60 VanDerWaalsContact CD2-SG 3.56Å; K56-C60 VanDerWaalsContact O-CB 3.24Å; K56-C60 WeakPolarHBondContact O-CB 3.48Å; K56-C60 PolarHBondContact O-N 3.46Å; Y58-C60 VanDerWaalsContact C-N 3.29Å; Y58-C60 PolarHBondContact O-N 2.83Å; C60-F64 PolarHBondContact O-N 3.48Å; C60-I93 HydrophobicContact CB-CD1 4.26Å; C60-I93 HydrophobicContact CB-CG2 4.07Å |
| 61 | K | 94.9 | Very high | 92.8 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 170.6 | -78.7 | -175.3 | 170.9 | -168.7 | 0 | 112.8 | G12 L13 F16 E36 I40 K57 Y58 V59 L63 F64 I65 | G12-K61 WeakPolarHBondContact O-CE 3.43Å; G12-K61 PolarHBondContact O-NZ 3.04Å; L13-K61 HydrophobicContact CD1-CG 3.83Å; F16-K61 HydrophobicContact CB-CD 4.47Å; F16-K61 HydrophobicContact CD1-CB 4.44Å; F16-K61 HydrophobicContact CD1-CD 4.17Å; F16-K61 HydrophobicContact CD1-CG 3.98Å; F16-K61 HydrophobicContact CG-CD 4.42Å; E36-K61 VanDerWaalsContact CD-NZ 3.27Å; E36-K61 HydrophobicContact CG-CD 4Å; E36-K61 IonicContact OE1-NZ 3.95Å; E36-K61 PolarHBondContact OE1-NZ 2.94Å; E36-K61 IonicContact OE2-NZ 2.86Å; I40-K61 HydrophobicContact CD1-CB 3.75Å; I40-K61 HydrophobicContact CD1-CD 4.23Å; K57-K61 WeakPolarHBondContact O-CG 3.5Å; K57-K61 PolarHBondContact O-N 2.97Å; Y58-K61 HydrophobicContact CD1-CD 4.48Å; Y58-K61 WeakPolarHBondContact O-CB 3.38Å; Y58-K61 PolarHBondContact O-N 2.89Å; Y58-K61 VanDerWaalsContact O-N 3.11Å; V59-K61 VanDerWaalsContact C-N 3.33Å; V59-K61 PolarHBondContact O-N 3.38Å; K61-L63 VanDerWaalsContact C-N 3.34Å; K61-F64 PolarHBondContact O-N 3.49Å; K61-I65 VanDerWaalsContact O-CG1 3.31Å; K61-I65 WeakPolarHBondContact O-CG1 3.33Å; K61-I65 PolarHBondContact O-N 2.98Å |
| 62 | L | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.1 | -65.6 | 178.6 | 0 | 0 | 0 | 110.9 | L37 I40 F44 Y58 V59 F64 I65 F66 I72 F74 F97 | L37-L62 HydrophobicContact CD2-CD2 3.62Å; I40-L62 HydrophobicContact CB-CD2 4.36Å; I40-L62 HydrophobicContact CD1-CD2 3.76Å; I40-L62 HydrophobicContact CD1-CG 4.12Å; I40-L62 HydrophobicContact CG2-CD1 4.01Å; I40-L62 HydrophobicContact CG2-CD2 4.03Å; I40-L62 HydrophobicContact CG2-CG 4.06Å; F44-L62 HydrophobicContact CE2-CD1 3.72Å; F44-L62 HydrophobicContact CZ-CD1 4.38Å; Y58-L62 PolarHBondContact O-N 3.14Å; V59-L62 PolarHBondContact O-N 3.33Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.17Å; L62-I65 PolarHBondContact O-N 3.09Å; L62-F66 PolarHBondContact O-N 3.08Å; L62-I72 HydrophobicContact CB-CG2 4.4Å; L62-I72 HydrophobicContact CD2-CD1 4.17Å; L62-F74 HydrophobicContact CD1-CE2 4.28Å; L62-F74 HydrophobicContact CD1-CZ 4.45Å; L62-F74 HydrophobicContact CD2-CE1 4.14Å; L62-F74 HydrophobicContact CD2-CE2 4.37Å; L62-F74 HydrophobicContact CD2-CZ 3.78Å; L62-F97 HydrophobicContact CB-CE2 3.84Å |
| 63 | L | 94.7 | Very high | 93 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.6 | -43.9 | 172.4 | -179.6 | 62.7 | 0 | 0 | 0 | 112.1 | V59 K61 I65 F66 L67 L96 F97 V100 L101 | V59-L63 PolarHBondContact O-N 3.31Å; K61-L63 VanDerWaalsContact C-N 3.34Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-I65 PolarHBondContact O-N 3.08Å; L63-F66 WeakPolarHBondContact O-CB 3.32Å; L63-F66 PolarHBondContact O-N 2.82Å; L63-L67 HydrophobicContact CD1-CD1 4.31Å; L63-L67 HydrophobicContact CD1-CG 4.35Å; L63-L67 HydrophobicContact CG-CD1 4.1Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 3.27Å; L63-L96 HydrophobicContact CD2-CD2 3.58Å; L63-L96 HydrophobicContact CD2-CG 3.7Å; L63-F97 HydrophobicContact CB-CD2 4.1Å; L63-V100 HydrophobicContact CD1-CB 4.01Å; L63-V100 HydrophobicContact CD1-CG1 3.87Å; L63-V100 HydrophobicContact CD1-CG2 4.36Å; L63-L101 HydrophobicContact CD1-CD1 3.68Å |
| 64 | F | 95.7 | Very high | 93 | Very high | 49 Ų | 49 | 42.3 Ų | 42.3 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 177 | -177.8 | -101.5 | 0 | 0 | 0 | 112.4 | L13 F16 I17 I20 C60 K61 L62 L67 L68 | L13-F64 HydrophobicContact CD1-CB 4.34Å; F16-F64 HydrophobicContact CD1-CD1 4.22Å; F16-F64 AromaticContact CE1-CD1 3.95Å; F16-F64 HydrophobicContact CE1-CD1 3.95Å; I17-F64 HydrophobicContact CB-CZ 4.41Å; I17-F64 HydrophobicContact CD1-CD2 4.21Å; I17-F64 HydrophobicContact CD1-CE2 4.09Å; I17-F64 HydrophobicContact CD1-CZ 4.36Å; I17-F64 HydrophobicContact CG1-CD1 4.13Å; I17-F64 HydrophobicContact CG1-CD2 4.27Å; I17-F64 HydrophobicContact CG1-CE1 3.81Å; I17-F64 HydrophobicContact CG1-CE2 3.98Å; I17-F64 HydrophobicContact CG1-CG 4.35Å; I17-F64 HydrophobicContact CG1-CZ 3.75Å; I17-F64 HydrophobicContact CG2-CZ 4.19Å; I20-F64 HydrophobicContact CD1-CD1 4.46Å; I20-F64 HydrophobicContact CD1-CE1 3.92Å; C60-F64 PolarHBondContact O-N 3.48Å; K61-F64 PolarHBondContact O-N 3.49Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.17Å; F64-L67 PolarHBondContact O-N 3.3Å; F64-L68 HydrophobicContact CD1-CD1 4.13Å; F64-L68 HydrophobicContact CE1-CD1 3.62Å; F64-L68 HydrophobicContact CE1-CG 4.17Å; F64-L68 HydrophobicContact CZ-CD1 4.14Å; F64-L68 HydrophobicContact CZ-CD2 4.25Å; F64-L68 HydrophobicContact CZ-CG 4.3Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 2.89Å |
| 65 | I | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 176 | -66.1 | 164.1 | 0 | 0 | 0 | 110.8 | F16 I33 L37 K61 L62 L63 L67 L68 H70 I72 | F16-I65 HydrophobicContact CE1-CD1 3.9Å; F16-I65 HydrophobicContact CE1-CG1 3.67Å; F16-I65 HydrophobicContact CZ-CD1 3.7Å; F16-I65 HydrophobicContact CZ-CG1 3.67Å; I33-I65 HydrophobicContact CG2-CD1 4.34Å; I33-I65 HydrophobicContact CG2-CG1 4.27Å; I33-I65 HydrophobicContact CG2-CG2 3.61Å; L37-I65 HydrophobicContact CD2-CD1 3.61Å; L37-I65 HydrophobicContact CD2-CG2 4.26Å; L37-I65 HydrophobicContact CG-CD1 4.02Å; K61-I65 VanDerWaalsContact O-CG1 3.31Å; K61-I65 WeakPolarHBondContact O-CG1 3.33Å; K61-I65 PolarHBondContact O-N 2.98Å; L62-I65 PolarHBondContact O-N 3.09Å; L63-I65 VanDerWaalsContact C-N 3.35Å; L63-I65 PolarHBondContact O-N 3.08Å; I65-L67 PolarHBondContact O-N 3.21Å; I65-L68 WeakPolarHBondContact O-CB 3.41Å; I65-L68 PolarHBondContact O-N 3.09Å; I65-L68 VanDerWaalsContact O-N 3.16Å; I65-H70 HydrophobicContact CG2-CB 3.62Å; I65-H70 PolarHBondContact O-N 3.43Å; I65-I72 HydrophobicContact CB-CD1 4.13Å; I65-I72 HydrophobicContact CG2-CD1 3.8Å |
| 66 | F | 94.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 41 Ų | 41 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -59.9 | -45 | 174.3 | -175.4 | -102.6 | 0 | 0 | 0 | 112.2 | L62 L63 L68 G69 H70 I72 V100 L101 | L62-F66 PolarHBondContact O-N 3.08Å; L63-F66 WeakPolarHBondContact O-CB 3.32Å; L63-F66 PolarHBondContact O-N 2.82Å; F66-L68 PolarHBondContact O-N 3.4Å; F66-G69 PolarHBondContact O-N 2.9Å; F66-H70 WeakPolarHBondContact CA-O 3.41Å; F66-I72 HydrophobicContact CB-CG1 3.94Å; F66-I72 HydrophobicContact CD2-CG1 4.35Å; F66-V100 HydrophobicContact CD1-CG1 3.72Å; F66-V100 HydrophobicContact CE1-CG1 3.6Å; F66-L101 HydrophobicContact CB-CD1 4.43Å; F66-L101 HydrophobicContact CB-CD2 4.17Å; F66-L101 HydrophobicContact CD1-CD1 3.93Å; F66-L101 HydrophobicContact CD1-CD2 4.37Å; F66-L101 HydrophobicContact CD1-CG 3.92Å; F66-L101 HydrophobicContact CD2-CD2 3.85Å; F66-L101 HydrophobicContact CD2-CG 4.13Å; F66-L101 HydrophobicContact CE1-CD1 4.41Å; F66-L101 HydrophobicContact CE1-CG 4.1Å; F66-L101 HydrophobicContact CE2-CD2 4.33Å; F66-L101 HydrophobicContact CE2-CG 4.31Å; F66-L101 HydrophobicContact CG-CD1 4.14Å; F66-L101 HydrophobicContact CG-CD2 3.86Å; F66-L101 HydrophobicContact CG-CG 3.93Å; F66-L101 HydrophobicContact CZ-CG 4.28Å |
| 67 | L | 95 | Very high | 92.5 | Very high | 119 Ų | 119 | 44.7 Ų | 44.7 | 62% | 0.623 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -67.5 | -13.8 | 177.4 | -67.5 | 172.5 | 0 | 0 | 0 | 114.1 | L63 F64 I65 G69 V100 | L63-L67 HydrophobicContact CD1-CD1 4.31Å; L63-L67 HydrophobicContact CD1-CG 4.35Å; L63-L67 HydrophobicContact CG-CD1 4.1Å; L63-L67 VanDerWaalsContact O-CG 3.3Å; L63-L67 WeakPolarHBondContact O-CG 3.28Å; L63-L67 PolarHBondContact O-N 3.27Å; F64-L67 PolarHBondContact O-N 3.3Å; I65-L67 PolarHBondContact O-N 3.21Å; L67-G69 VanDerWaalsContact C-N 3.31Å; L67-V100 HydrophobicContact CD2-CG1 4.48Å |
| 68 | L | 94.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 45.2 Ų | 45.2 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -3.1 | 168.3 | -68.4 | 175.7 | 0 | 0 | 0 | 113.3 | I20 I33 F64 I65 F66 | I20-L68 HydrophobicContact CD1-CD1 3.96Å; I20-L68 HydrophobicContact CG2-CD1 4.26Å; I33-L68 HydrophobicContact CD1-CD1 4.04Å; F64-L68 HydrophobicContact CD1-CD1 4.13Å; F64-L68 HydrophobicContact CE1-CD1 3.62Å; F64-L68 HydrophobicContact CE1-CG 4.17Å; F64-L68 HydrophobicContact CZ-CD1 4.14Å; F64-L68 HydrophobicContact CZ-CD2 4.25Å; F64-L68 HydrophobicContact CZ-CG 4.3Å; F64-L68 WeakPolarHBondContact O-CG 3.42Å; F64-L68 PolarHBondContact O-N 2.89Å; I65-L68 WeakPolarHBondContact O-CB 3.41Å; I65-L68 PolarHBondContact O-N 3.09Å; I65-L68 VanDerWaalsContact O-N 3.16Å; F66-L68 PolarHBondContact O-N 3.4Å |
| 69 | G | 93.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 44 Ų | 44 | 70% | 0.701 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90 | 21.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F66 L67 | F66-G69 PolarHBondContact O-N 2.9Å; L67-G69 VanDerWaalsContact C-N 3.31Å |
| 70 | H | 92.9 | Very high | 92.1 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 19% | 0.194 | 24% | 0.242 | C | C | . | . | trans | -105.2 | 126.7 | 174.8 | -69.7 | -80.5 | 0 | 0 | 0 | 111.3 | E29 I33 I65 F66 | E29-H70 IonicContact OE1-NE2 3.66Å; I33-H70 WeakPolarHBondContact CD1-NE2 3.28Å; I65-H70 HydrophobicContact CG2-CB 3.62Å; I65-H70 PolarHBondContact O-N 3.43Å; F66-H70 WeakPolarHBondContact CA-O 3.41Å | ||
| 71 | D | 90.2 | Very high | 91.8 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 79% | 0.786 | 26% | 0.257 | S | S | * | . | trans | -62.1 | 145.2 | -178.5 | -66.5 | -46.8 | 0 | 0 | 0 | 113.5 | ||||
| 72 | I | 90.7 | Very high | 91.8 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | trans | -126.4 | 111.6 | -179 | -61.1 | -61.6 | 0 | 0 | 0 | 110 | L37 L62 I65 F66 F74 F97 L101 | L37-I72 HydrophobicContact CD2-CD1 3.63Å; L62-I72 HydrophobicContact CB-CG2 4.4Å; L62-I72 HydrophobicContact CD2-CD1 4.17Å; I65-I72 HydrophobicContact CB-CD1 4.13Å; I65-I72 HydrophobicContact CG2-CD1 3.8Å; F66-I72 HydrophobicContact CB-CG1 3.94Å; F66-I72 HydrophobicContact CD2-CG1 4.35Å; I72-F74 WeakPolarHBondContact CG2-O 3.46Å; I72-F97 HydrophobicContact CG2-CZ 4.45Å; I72-L101 HydrophobicContact CB-CD2 3.89Å; I72-L101 HydrophobicContact CG1-CD2 4.38Å; I72-L101 HydrophobicContact CG2-CD2 4.1Å | ||
| 73 | D | 87.4 | Confident | 91.7 | Very high | 111 Ų | 111 | 47.2 Ų | 47.2 | 59% | 0.594 | 26% | 0.256 | S | S | * | . | trans | -91.8 | -4.9 | -179 | 59.8 | -44.6 | 0 | 0 | 0 | 114.2 | R41 | R41-D73 IonicContact CZ-OD1 2.77Å; R41-D73 IonicContact CZ-OD2 3.86Å; R41-D73 VanDerWaalsContact CZ-OD2 3.31Å; R41-D73 IonicContact NH1-OD2 3.55Å; R41-D73 PolarHBondContact NH1-OD2 2.95Å; R41-D73 IonicContact NH2-OD1 3.23Å; R41-D73 PolarHBondContact NH2-OD1 3.24Å; R41-D73 IonicContact NH2-OD2 3.58Å; R41-D73 PolarHBondContact NH2-OD2 3.4Å | ||
| 74 | F | 89 | Confident | 91.5 | Very high | 29 Ų | 29 | 51.1 Ų | 51.1 | 13% | 0.127 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -148.6 | 168.9 | -171.7 | 76 | -70 | 0 | 0 | 0 | 112.8 | L37 I40 R41 F44 L62 I72 | L37-F74 HydrophobicContact CD2-CE1 4.16Å; L37-F74 HydrophobicContact CD2-CZ 4.4Å; I40-F74 HydrophobicContact CB-CE2 4.4Å; I40-F74 HydrophobicContact CB-CZ 4.39Å; I40-F74 HydrophobicContact CG2-CE2 3.96Å; I40-F74 HydrophobicContact CG2-CZ 4.31Å; R41-F74 VanDerWaalsContact CA-CE2 3.47Å; R41-F74 HydrophobicContact CB-CD2 4.31Å; R41-F74 HydrophobicContact CB-CE2 3.63Å; R41-F74 HydrophobicContact CB-CZ 3.77Å; R41-F74 HydrophobicContact CG-CD2 4.29Å; R41-F74 HydrophobicContact CG-CE2 4.11Å; R41-F74 HydrophobicContact CG-CZ 4.43Å; R41-F74 VanDerWaalsContact NH2-CE1 3.32Å; F44-F74 HydrophobicContact CD2-CD2 4.06Å; F44-F74 HydrophobicContact CD2-CE2 4.1Å; L62-F74 HydrophobicContact CD1-CE2 4.28Å; L62-F74 HydrophobicContact CD1-CZ 4.45Å; L62-F74 HydrophobicContact CD2-CE1 4.14Å; L62-F74 HydrophobicContact CD2-CE2 4.37Å; L62-F74 HydrophobicContact CD2-CZ 3.78Å; I72-F74 WeakPolarHBondContact CG2-O 3.46Å |
| 75 | G | 87.3 | Confident | 91.3 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | 98.6 | -10 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M77 E78 A79 | G75-M77 PolarHBondContact O-N 3.12Å; G75-E78 VanDerWaalsContact C-OE2 3.26Å; G75-E78 WeakPolarHBondContact CA-OE2 3.32Å; G75-E78 PolarHBondContact O-N 3.17Å; G75-A79 PolarHBondContact O-N 3.08Å | ||
| 76 | H | 88.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 57 Ų | 57 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.7 | -43.8 | -179.6 | -61.4 | 97.3 | 0 | 0 | 0 | 112.7 | A79 V80 F97 L108 | H76-A79 PolarHBondContact O-N 3.14Å; H76-V80 WeakPolarHBondContact O-CG2 3.45Å; H76-V80 PolarHBondContact O-N 3.4Å; H76-F97 AromaticContact CD2-CE1 3.74Å; H76-L108 HydrophobicContact CB-CD1 3.53Å |
| 77 | M | 88.4 | Confident | 91 | Very high | 83 Ų | 83 | 59.4 Ų | 59.4 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 178.3 | -174.5 | 59.1 | 79.5 | 0 | 0 | 111.4 | G75 A79 V80 N81 L108 L111 | G75-M77 PolarHBondContact O-N 3.12Å; M77-A79 VanDerWaalsContact C-N 3.33Å; M77-A79 PolarHBondContact O-N 3.17Å; M77-V80 PolarHBondContact O-N 3.3Å; M77-N81 PolarHBondContact O-N 3.48Å; M77-N81 PolarHBondContact O-ND2 2.9Å; M77-L108 HydrophobicContact CE-CD2 3.47Å; M77-L108 VanDerWaalsContact CE-CD2 3.47Å; M77-L108 HydrophobicContact SD-CD2 4.19Å; M77-L111 HydrophobicContact CE-CD1 4.12Å; M77-L111 HydrophobicContact SD-CD1 4.26Å |
| 78 | E | 89.8 | Confident | 90.8 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 175.5 | -66.4 | 75.5 | -169 | 0 | 0 | 111.8 | F44 V59 G75 L82 | F44-E78 HydrophobicContact CB-CG 4.44Å; F44-E78 HydrophobicContact CD1-CG 4.01Å; F44-E78 HydrophobicContact CD2-CB 4.42Å; F44-E78 HydrophobicContact CD2-CG 3.7Å; F44-E78 HydrophobicContact CE1-CB 4.46Å; F44-E78 HydrophobicContact CE1-CG 4.09Å; F44-E78 HydrophobicContact CE2-CB 4.02Å; F44-E78 HydrophobicContact CE2-CG 3.81Å; F44-E78 HydrophobicContact CG-CG 3.82Å; F44-E78 HydrophobicContact CZ-CB 4.04Å; F44-E78 HydrophobicContact CZ-CG 4Å; V59-E78 HydrophobicContact CG2-CB 4.05Å; G75-E78 VanDerWaalsContact C-OE2 3.26Å; G75-E78 WeakPolarHBondContact CA-OE2 3.32Å; G75-E78 PolarHBondContact O-N 3.17Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.9Å |
| 79 | A | 90.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V59 G75 H76 M77 N81 L82 L83 F97 I98 | V59-A79 HydrophobicContact CG1-CB 3.99Å; G75-A79 PolarHBondContact O-N 3.08Å; H76-A79 PolarHBondContact O-N 3.14Å; M77-A79 VanDerWaalsContact C-N 3.33Å; M77-A79 PolarHBondContact O-N 3.17Å; A79-N81 VanDerWaalsContact C-N 3.32Å; A79-N81 PolarHBondContact O-N 3.22Å; A79-L82 WeakPolarHBondContact O-CB 3.47Å; A79-L82 PolarHBondContact O-N 3.16Å; A79-L82 VanDerWaalsContact O-N 3.1Å; A79-L83 PolarHBondContact O-N 3.49Å; A79-F97 HydrophobicContact CB-CB 3.97Å; A79-F97 HydrophobicContact CB-CD1 3.34Å; A79-F97 HydrophobicContact CB-CE1 3.99Å; A79-F97 HydrophobicContact CB-CG 3.78Å; A79-I98 HydrophobicContact CB-CG2 4.22Å |
| 80 | V | 90.7 | Very high | 90.8 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 7% | 0.067 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60 | -41.5 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | H76 M77 L82 L83 I98 L108 L111 I112 | H76-V80 WeakPolarHBondContact O-CG2 3.45Å; H76-V80 PolarHBondContact O-N 3.4Å; M77-V80 PolarHBondContact O-N 3.3Å; V80-L82 VanDerWaalsContact C-N 3.26Å; V80-L82 PolarHBondContact O-N 3.07Å; V80-L83 HydrophobicContact CB-CD1 4.47Å; V80-L83 HydrophobicContact CG1-CD1 4.41Å; V80-L83 VanDerWaalsContact O-CB 3.23Å; V80-L83 WeakPolarHBondContact O-CB 3.21Å; V80-L83 WeakPolarHBondContact O-CG 3.35Å; V80-L83 PolarHBondContact O-N 3.31Å; V80-I98 HydrophobicContact CG2-CG2 4.49Å; V80-L108 HydrophobicContact CG2-CB 4.46Å; V80-L111 HydrophobicContact CG1-CB 3.8Å; V80-L111 HydrophobicContact CG1-CD1 4.36Å; V80-I112 HydrophobicContact CG2-CD1 4.22Å; V80-I112 HydrophobicContact CG2-CG1 3.83Å |
| 81 | N | 90.4 | Very high | 90.8 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.2 | -29.1 | 175.2 | -78 | -61.4 | 0 | 0 | 0 | 113.6 | M77 A79 L83 S84 | M77-N81 PolarHBondContact O-N 3.48Å; M77-N81 PolarHBondContact O-ND2 2.9Å; A79-N81 VanDerWaalsContact C-N 3.32Å; A79-N81 PolarHBondContact O-N 3.22Å; N81-L83 VanDerWaalsContact C-N 3.29Å; N81-S84 PolarHBondContact O-N 2.96Å |
| 82 | L | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.7 | -25 | 174.7 | -70 | 170.2 | 0 | 0 | 0 | 112.3 | K55 K56 V59 E78 A79 V80 S84 S85 E90 I93 | K55-L82 HydrophobicContact CB-CD2 3.9Å; K55-L82 HydrophobicContact CB-CG 4.45Å; K56-L82 HydrophobicContact CB-CD2 4.46Å; V59-L82 HydrophobicContact CB-CD1 4.03Å; V59-L82 HydrophobicContact CG1-CD1 4.23Å; V59-L82 HydrophobicContact CG2-CD1 3.88Å; E78-L82 WeakPolarHBondContact O-CG 3.28Å; E78-L82 PolarHBondContact O-N 2.9Å; A79-L82 WeakPolarHBondContact O-CB 3.47Å; A79-L82 PolarHBondContact O-N 3.16Å; A79-L82 VanDerWaalsContact O-N 3.1Å; V80-L82 VanDerWaalsContact C-N 3.26Å; V80-L82 PolarHBondContact O-N 3.07Å; L82-S84 PolarHBondContact O-N 3.2Å; L82-S85 WeakPolarHBondContact O-CB 3.39Å; L82-S85 PolarHBondContact O-N 3.46Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L82-E90 HydrophobicContact CD2-CB 3.93Å; L82-E90 HydrophobicContact CD2-CG 4.32Å; L82-I93 HydrophobicContact CD1-CG2 4.38Å |
| 83 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -28.2 | 176 | -49.9 | 174.3 | 0 | 0 | 0 | 112 | A79 V80 N81 S85 K91 Y95 I98 I112 A115 | A79-L83 PolarHBondContact O-N 3.49Å; V80-L83 HydrophobicContact CB-CD1 4.47Å; V80-L83 HydrophobicContact CG1-CD1 4.41Å; V80-L83 VanDerWaalsContact O-CB 3.23Å; V80-L83 WeakPolarHBondContact O-CB 3.21Å; V80-L83 WeakPolarHBondContact O-CG 3.35Å; V80-L83 PolarHBondContact O-N 3.31Å; N81-L83 VanDerWaalsContact C-N 3.29Å; L83-S85 VanDerWaalsContact C-N 3.34Å; L83-K91 PolarHBondContact O-NZ 3.33Å; L83-Y95 HydrophobicContact CD2-CD1 3.73Å; L83-Y95 HydrophobicContact CD2-CD2 3.82Å; L83-Y95 HydrophobicContact CD2-CE1 3.91Å; L83-Y95 HydrophobicContact CD2-CE2 4.01Å; L83-Y95 HydrophobicContact CD2-CG 3.68Å; L83-I98 HydrophobicContact CD1-CD1 3.81Å; L83-I98 HydrophobicContact CD2-CD1 3.92Å; L83-I98 HydrophobicContact CG-CD1 4.49Å; L83-I112 HydrophobicContact CD1-CG1 4.12Å; L83-A115 HydrophobicContact CB-CB 3.73Å; L83-A115 HydrophobicContact CD1-CB 3.94Å |
| 84 | S | 90.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 43.6 Ų | 43.6 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 0.2 | 177.9 | -53.8 | 0 | 0 | 0 | 0 | 114 | N81 L82 | N81-S84 PolarHBondContact O-N 2.96Å; L82-S84 PolarHBondContact O-N 3.2Å |
| 85 | S | 92.6 | Very high | 91.8 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | trans | -75.6 | 141.7 | 180 | -179.1 | 0 | 0 | 0 | 0 | 112.5 | L82 L83 K87 E90 K91 | L82-S85 WeakPolarHBondContact O-CB 3.39Å; L82-S85 PolarHBondContact O-N 3.46Å; L82-S85 VanDerWaalsContact O-N 3.16Å; L83-S85 VanDerWaalsContact C-N 3.34Å; S85-K87 PolarHBondContact O-N 3.09Å; S85-K87 PolarHBondContact OG-N 2.68Å; S85-E90 WeakPolarHBondContact CB-OE2 3.34Å; S85-E90 PolarHBondContact OG-OE2 3.49Å; S85-K91 WeakPolarHBondContact O-CD 3.38Å; S85-K91 WeakPolarHBondContact O-CE 3.4Å; S85-K91 VanDerWaalsContact O-CG 3.23Å; S85-K91 WeakPolarHBondContact O-CG 3.41Å | ||
| 86 | N | 90.8 | Very high | 92.1 | Very high | 150 Ų | 150 | 46 Ų | 46 | 80% | 0.802 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -73.9 | -4.5 | 172.6 | -69.3 | -32.1 | 0 | 0 | 0 | 113.9 | ||
| 87 | K | 91.8 | Very high | 92.3 | Very high | 119 Ų | 119 | 43.8 Ų | 43.8 | 52% | 0.517 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -95.8 | 125.2 | 179.4 | -59 | -170.5 | -146.5 | 142.7 | 0 | 111.5 | S85 T89 E90 K91 | S85-K87 PolarHBondContact O-N 3.09Å; S85-K87 PolarHBondContact OG-N 2.68Å; K87-T89 PolarHBondContact O-N 3.41Å; K87-E90 HydrophobicContact CB-CB 4.21Å; K87-E90 HydrophobicContact CB-CG 4.1Å; K87-E90 WeakPolarHBondContact CD-OE1 3.4Å; K87-E90 WeakPolarHBondContact CE-OE1 3.39Å; K87-E90 IonicContact NZ-OE1 3.72Å; K87-E90 PolarHBondContact NZ-OE1 3.45Å; K87-E90 PolarHBondContact O-N 2.92Å; K87-K91 PolarHBondContact O-N 2.91Å; K87-K91 VanDerWaalsContact O-N 3.07Å |
| 88 | Y | 92 | Very high | 92.4 | Very high | 107 Ų | 107 | 40 Ų | 40 | 42% | 0.42 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -48.1 | -52.2 | 176.9 | 170.9 | -104.4 | 0 | 0 | 0 | 113.5 | E90 K91 Q92 T126 L130 | Y88-E90 PolarHBondContact O-N 2.98Å; Y88-K91 PolarHBondContact O-N 3.02Å; Y88-Q92 HydrophobicContact CE1-CB 4.48Å; Y88-Q92 HydrophobicContact CE2-CB 4.42Å; Y88-Q92 VanDerWaalsContact O-CB 3.26Å; Y88-Q92 WeakPolarHBondContact O-CB 3.25Å; Y88-Q92 PolarHBondContact O-N 2.85Å; Y88-T126 HydrophobicContact CD2-CG2 3.38Å; Y88-T126 HydrophobicContact CE2-CG2 3.55Å; Y88-T126 HydrophobicContact CG-CG2 4.35Å; Y88-L130 HydrophobicContact CD2-CD1 3.9Å; Y88-L130 HydrophobicContact CE2-CD1 3.84Å; Y88-L130 HydrophobicContact CE2-CD2 4.25Å; Y88-L130 HydrophobicContact CE2-CG 4.23Å |
| 89 | T | 92.6 | Very high | 92.5 | Very high | 39 Ų | 39 | 39.3 Ų | 39.3 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.5 | -22.8 | -176.3 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | K56 K87 I93 | K56-T89 WeakPolarHBondContact CD-O 3.38Å; K56-T89 VanDerWaalsContact NZ-CB 3.35Å; K56-T89 PolarHBondContact NZ-OG1 3.49Å; K87-T89 PolarHBondContact O-N 3.41Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å |
| 90 | E | 93.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.2 | -53 | 174.1 | -68.7 | 178.1 | -166 | 0 | 0 | 109.5 | G52 K56 L82 S85 K87 Y88 Q92 I93 G94 | G52-E90 WeakPolarHBondContact CA-OE1 3.48Å; K56-E90 HydrophobicContact CB-CG 4.31Å; K56-E90 HydrophobicContact CD-CG 4.28Å; L82-E90 HydrophobicContact CD2-CB 3.93Å; L82-E90 HydrophobicContact CD2-CG 4.32Å; S85-E90 WeakPolarHBondContact CB-OE2 3.34Å; S85-E90 PolarHBondContact OG-OE2 3.49Å; K87-E90 HydrophobicContact CB-CB 4.21Å; K87-E90 HydrophobicContact CB-CG 4.1Å; K87-E90 WeakPolarHBondContact CD-OE1 3.4Å; K87-E90 WeakPolarHBondContact CE-OE1 3.39Å; K87-E90 IonicContact NZ-OE1 3.72Å; K87-E90 PolarHBondContact NZ-OE1 3.45Å; K87-E90 PolarHBondContact O-N 2.92Å; Y88-E90 PolarHBondContact O-N 2.98Å; E90-Q92 VanDerWaalsContact C-N 3.35Å; E90-Q92 PolarHBondContact O-N 2.8Å; E90-I93 PolarHBondContact O-N 3.11Å; E90-G94 PolarHBondContact O-N 3.16Å; E90-G94 VanDerWaalsContact O-N 3.08Å |
| 91 | K | 94.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.4 | -48.2 | 172.5 | -81.5 | 178.9 | 172.3 | -61.1 | 0 | 112.8 | L83 S85 K87 Y88 I93 G94 Y95 D119 F127 L130 | L83-K91 PolarHBondContact O-NZ 3.33Å; S85-K91 WeakPolarHBondContact O-CD 3.38Å; S85-K91 WeakPolarHBondContact O-CE 3.4Å; S85-K91 VanDerWaalsContact O-CG 3.23Å; S85-K91 WeakPolarHBondContact O-CG 3.41Å; K87-K91 PolarHBondContact O-N 2.91Å; K87-K91 VanDerWaalsContact O-N 3.07Å; Y88-K91 PolarHBondContact O-N 3.02Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 3.36Å; K91-G94 WeakPolarHBondContact O-CA 3.37Å; K91-G94 PolarHBondContact O-N 3.34Å; K91-G94 VanDerWaalsContact O-N 3.13Å; K91-Y95 HydrophobicContact CB-CD2 4.23Å; K91-Y95 HydrophobicContact CB-CE2 4.43Å; K91-Y95 WeakPolarHBondContact O-CB 3.28Å; K91-Y95 VanDerWaalsContact O-CD2 3.31Å; K91-Y95 WeakPolarHBondContact O-CD2 3.4Å; K91-Y95 PolarHBondContact O-N 3.4Å; K91-D119 WeakPolarHBondContact CE-OD1 3.29Å; K91-D119 IonicContact NZ-OD1 3.79Å; K91-D119 PolarHBondContact NZ-OD1 3.19Å; K91-D119 IonicContact NZ-OD2 2.77Å; K91-D119 PolarHBondContact NZ-OD2 3.18Å; K91-F127 HydrophobicContact CD-CD1 3.57Å; K91-F127 HydrophobicContact CD-CD2 4.28Å; K91-F127 HydrophobicContact CD-CE1 3.61Å; K91-F127 HydrophobicContact CD-CE2 4.3Å; K91-F127 HydrophobicContact CD-CG 3.94Å; K91-F127 HydrophobicContact CD-CZ 3.99Å; K91-L130 HydrophobicContact CB-CD1 4Å |
| 92 | Q | 94.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 40.3 Ų | 40.3 | 28% | 0.276 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.2 | -45.7 | -177.8 | -177.1 | -149.6 | -5.9 | 0 | 0 | 111.7 | Y88 E90 L96 | Y88-Q92 HydrophobicContact CE1-CB 4.48Å; Y88-Q92 HydrophobicContact CE2-CB 4.42Å; Y88-Q92 VanDerWaalsContact O-CB 3.26Å; Y88-Q92 WeakPolarHBondContact O-CB 3.25Å; Y88-Q92 PolarHBondContact O-N 2.85Å; E90-Q92 VanDerWaalsContact C-N 3.35Å; E90-Q92 PolarHBondContact O-N 2.8Å; Q92-L96 WeakPolarHBondContact O-CB 3.22Å; Q92-L96 PolarHBondContact O-N 3.49Å |
| 93 | I | 94 | Very high | 90.1 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.8 | -36.3 | 178.3 | -67.3 | -62.8 | 0 | 0 | 0 | 111.4 | M10 K56 V59 C60 L82 T89 E90 K91 F97 | M10-I93 HydrophobicContact CE-CD1 4.19Å; M10-I93 HydrophobicContact CE-CG1 4.13Å; K56-I93 HydrophobicContact CD-CG1 4.1Å; K56-I93 HydrophobicContact CG-CB 3.96Å; K56-I93 HydrophobicContact CG-CG1 3.72Å; K56-I93 HydrophobicContact CG-CG2 4.21Å; V59-I93 HydrophobicContact CB-CG2 4.16Å; V59-I93 HydrophobicContact CG1-CG2 3.85Å; C60-I93 HydrophobicContact CB-CD1 4.26Å; C60-I93 HydrophobicContact CB-CG2 4.07Å; L82-I93 HydrophobicContact CD1-CG2 4.38Å; T89-I93 WeakPolarHBondContact O-CG1 3.48Å; E90-I93 PolarHBondContact O-N 3.11Å; K91-I93 VanDerWaalsContact C-N 3.33Å; K91-I93 PolarHBondContact O-N 3.36Å; I93-F97 VanDerWaalsContact O-CB 3.26Å; I93-F97 WeakPolarHBondContact O-CB 3.19Å; I93-F97 PolarHBondContact O-N 3.28Å |
| 94 | G | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -55.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E90 K91 L96 F97 I98 | E90-G94 PolarHBondContact O-N 3.16Å; E90-G94 VanDerWaalsContact O-N 3.08Å; K91-G94 WeakPolarHBondContact O-CA 3.37Å; K91-G94 PolarHBondContact O-N 3.34Å; K91-G94 VanDerWaalsContact O-N 3.13Å; G94-L96 PolarHBondContact O-N 3.39Å; G94-F97 PolarHBondContact O-N 2.9Å; G94-I98 WeakPolarHBondContact O-CG1 3.41Å; G94-I98 PolarHBondContact O-N 2.99Å |
| 95 | Y | 94.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 53 Ų | 53 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.4 | -40.8 | 179.2 | -84.5 | -63.4 | 0 | 0 | 0 | 112.9 | L83 K91 I98 S99 I116 D119 L130 C134 | L83-Y95 HydrophobicContact CD2-CD1 3.73Å; L83-Y95 HydrophobicContact CD2-CD2 3.82Å; L83-Y95 HydrophobicContact CD2-CE1 3.91Å; L83-Y95 HydrophobicContact CD2-CE2 4.01Å; L83-Y95 HydrophobicContact CD2-CG 3.68Å; K91-Y95 HydrophobicContact CB-CD2 4.23Å; K91-Y95 HydrophobicContact CB-CE2 4.43Å; K91-Y95 WeakPolarHBondContact O-CB 3.28Å; K91-Y95 VanDerWaalsContact O-CD2 3.31Å; K91-Y95 WeakPolarHBondContact O-CD2 3.4Å; K91-Y95 PolarHBondContact O-N 3.4Å; Y95-I98 HydrophobicContact CD1-CD1 3.97Å; Y95-I98 HydrophobicContact CE1-CD1 4.43Å; Y95-I98 VanDerWaalsContact O-CG1 3.26Å; Y95-I98 WeakPolarHBondContact O-CG1 3.23Å; Y95-S99 VanDerWaalsContact O-CB 3.25Å; Y95-S99 WeakPolarHBondContact O-CB 3.14Å; Y95-S99 PolarHBondContact O-N 3.31Å; Y95-S99 PolarHBondContact O-OG 3.23Å; Y95-I116 HydrophobicContact CE1-CG1 3.91Å; Y95-D119 VanDerWaalsContact CE2-OD2 3.29Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.43Å; Y95-D119 PolarHBondContact OH-OD2 3.08Å; Y95-L130 HydrophobicContact CD2-CB 3.76Å; Y95-L130 HydrophobicContact CD2-CD1 4.15Å; Y95-L130 HydrophobicContact CD2-CG 4.44Å; Y95-L130 HydrophobicContact CE2-CB 3.98Å; Y95-L130 HydrophobicContact CG-CB 4.33Å; Y95-C134 HydrophobicContact CD1-CB 3.58Å; Y95-C134 HydrophobicContact CE1-CB 3.92Å |
| 96 | L | 94.4 | Very high | 84.9 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 40% | 0.398 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 176.2 | -179.7 | 62.1 | 0 | 0 | 0 | 111.7 | L63 Q92 G94 S99 V100 | L63-L96 HydrophobicContact CD2-CD2 3.58Å; L63-L96 HydrophobicContact CD2-CG 3.7Å; Q92-L96 WeakPolarHBondContact O-CB 3.22Å; Q92-L96 PolarHBondContact O-N 3.49Å; G94-L96 PolarHBondContact O-N 3.39Å; L96-S99 PolarHBondContact O-N 2.64Å; L96-V100 HydrophobicContact CD1-CG2 4.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.1Å |
| 97 | F | 92.8 | Very high | 83.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 177.7 | -174.9 | -82.2 | 0 | 0 | 0 | 111 | V59 L62 L63 I72 H76 A79 I93 G94 S99 V100 L101 | V59-F97 HydrophobicContact CG1-CB 3.71Å; V59-F97 HydrophobicContact CG1-CD1 4.48Å; V59-F97 HydrophobicContact CG1-CD2 3.44Å; V59-F97 VanDerWaalsContact CG1-CD2 3.44Å; V59-F97 HydrophobicContact CG1-CE2 4.17Å; V59-F97 HydrophobicContact CG1-CG 3.63Å; L62-F97 HydrophobicContact CB-CE2 3.84Å; L63-F97 HydrophobicContact CB-CD2 4.1Å; I72-F97 HydrophobicContact CG2-CZ 4.45Å; H76-F97 AromaticContact CD2-CE1 3.74Å; A79-F97 HydrophobicContact CB-CB 3.97Å; A79-F97 HydrophobicContact CB-CD1 3.34Å; A79-F97 HydrophobicContact CB-CE1 3.99Å; A79-F97 HydrophobicContact CB-CG 3.78Å; I93-F97 VanDerWaalsContact O-CB 3.26Å; I93-F97 WeakPolarHBondContact O-CB 3.19Å; I93-F97 PolarHBondContact O-N 3.28Å; G94-F97 PolarHBondContact O-N 2.9Å; F97-S99 PolarHBondContact O-N 2.69Å; F97-V100 PolarHBondContact O-N 3Å; F97-L101 HydrophobicContact CD1-CB 4.5Å; F97-L101 HydrophobicContact CD1-CD1 4.42Å; F97-L101 HydrophobicContact CD2-CD1 4.02Å; F97-L101 HydrophobicContact CE1-CB 4.23Å; F97-L101 HydrophobicContact CE1-CD1 4.46Å; F97-L101 HydrophobicContact CE1-CD2 4.26Å; F97-L101 HydrophobicContact CE2-CD1 4.05Å; F97-L101 HydrophobicContact CE2-CD2 4.05Å; F97-L101 HydrophobicContact CG-CD1 4.22Å; F97-L101 HydrophobicContact CZ-CD1 4.29Å; F97-L101 HydrophobicContact CZ-CD2 3.76Å; F97-L101 HydrophobicContact CZ-CG 4.44Å; F97-L101 WeakPolarHBondContact O-CD1 3.48Å; F97-L101 PolarHBondContact O-N 2.95Å |
| 98 | I | 90.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 178.7 | 67.1 | 173.5 | 0 | 0 | 0 | 112.4 | A79 V80 L83 G94 Y95 V100 V102 I112 | A79-I98 HydrophobicContact CB-CG2 4.22Å; V80-I98 HydrophobicContact CG2-CG2 4.49Å; L83-I98 HydrophobicContact CD1-CD1 3.81Å; L83-I98 HydrophobicContact CD2-CD1 3.92Å; L83-I98 HydrophobicContact CG-CD1 4.49Å; G94-I98 WeakPolarHBondContact O-CG1 3.41Å; G94-I98 PolarHBondContact O-N 2.99Å; Y95-I98 HydrophobicContact CD1-CD1 3.97Å; Y95-I98 HydrophobicContact CE1-CD1 4.43Å; Y95-I98 VanDerWaalsContact O-CG1 3.26Å; Y95-I98 WeakPolarHBondContact O-CG1 3.23Å; I98-V100 PolarHBondContact O-N 3.17Å; I98-V102 HydrophobicContact CB-CG2 3.62Å; I98-V102 HydrophobicContact CG2-CG2 4.17Å; I98-V102 WeakPolarHBondContact O-CB 3.42Å; I98-V102 WeakPolarHBondContact O-CG2 3.24Å; I98-V102 PolarHBondContact O-N 3.38Å; I98-I112 HydrophobicContact CB-CD1 4.29Å; I98-I112 HydrophobicContact CD1-CD1 4.19Å; I98-I112 HydrophobicContact CD1-CG1 4.05Å; I98-I112 HydrophobicContact CD1-CG2 3.72Å; I98-I112 HydrophobicContact CG2-CD1 4.17Å |
| 99 | S | 91.3 | Very high | 82.9 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -19.5 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | Y95 L96 F97 | Y95-S99 VanDerWaalsContact O-CB 3.25Å; Y95-S99 WeakPolarHBondContact O-CB 3.14Å; Y95-S99 PolarHBondContact O-N 3.31Å; Y95-S99 PolarHBondContact O-OG 3.23Å; L96-S99 PolarHBondContact O-N 2.64Å; F97-S99 PolarHBondContact O-N 2.69Å |
| 100 | V | 90.9 | Very high | 82.6 | Confident | 60 Ų | 60 | 50.8 Ų | 50.8 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -104.3 | -34.3 | -178.6 | 173.8 | 0 | 0 | 0 | 0 | 112.4 | L63 F66 L67 L96 F97 I98 | L63-V100 HydrophobicContact CD1-CB 4.01Å; L63-V100 HydrophobicContact CD1-CG1 3.87Å; L63-V100 HydrophobicContact CD1-CG2 4.36Å; F66-V100 HydrophobicContact CD1-CG1 3.72Å; F66-V100 HydrophobicContact CE1-CG1 3.6Å; L67-V100 HydrophobicContact CD2-CG1 4.48Å; L96-V100 HydrophobicContact CD1-CG2 4.23Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 3.1Å; F97-V100 PolarHBondContact O-N 3Å; I98-V100 PolarHBondContact O-N 3.17Å |
| 101 | L | 84.3 | Confident | 82.3 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -110.3 | -7.4 | -173.2 | -72.2 | 92.8 | 0 | 0 | 0 | 115.6 | L63 F66 I72 F97 N103 | L63-L101 HydrophobicContact CD1-CD1 3.68Å; F66-L101 HydrophobicContact CB-CD1 4.43Å; F66-L101 HydrophobicContact CB-CD2 4.17Å; F66-L101 HydrophobicContact CD1-CD1 3.93Å; F66-L101 HydrophobicContact CD1-CD2 4.37Å; F66-L101 HydrophobicContact CD1-CG 3.92Å; F66-L101 HydrophobicContact CD2-CD2 3.85Å; F66-L101 HydrophobicContact CD2-CG 4.13Å; F66-L101 HydrophobicContact CE1-CD1 4.41Å; F66-L101 HydrophobicContact CE1-CG 4.1Å; F66-L101 HydrophobicContact CE2-CD2 4.33Å; F66-L101 HydrophobicContact CE2-CG 4.31Å; F66-L101 HydrophobicContact CG-CD1 4.14Å; F66-L101 HydrophobicContact CG-CD2 3.86Å; F66-L101 HydrophobicContact CG-CG 3.93Å; F66-L101 HydrophobicContact CZ-CG 4.28Å; I72-L101 HydrophobicContact CB-CD2 3.89Å; I72-L101 HydrophobicContact CG1-CD2 4.38Å; I72-L101 HydrophobicContact CG2-CD2 4.1Å; F97-L101 HydrophobicContact CD1-CB 4.5Å; F97-L101 HydrophobicContact CD1-CD1 4.42Å; F97-L101 HydrophobicContact CD2-CD1 4.02Å; F97-L101 HydrophobicContact CE1-CB 4.23Å; F97-L101 HydrophobicContact CE1-CD1 4.46Å; F97-L101 HydrophobicContact CE1-CD2 4.26Å; F97-L101 HydrophobicContact CE2-CD1 4.05Å; F97-L101 HydrophobicContact CE2-CD2 4.05Å; F97-L101 HydrophobicContact CG-CD1 4.22Å; F97-L101 HydrophobicContact CZ-CD1 4.29Å; F97-L101 HydrophobicContact CZ-CD2 3.76Å; F97-L101 HydrophobicContact CZ-CG 4.44Å; F97-L101 WeakPolarHBondContact O-CD1 3.48Å; F97-L101 PolarHBondContact O-N 2.95Å; L101-N103 PolarHBondContact O-N 3.27Å; L101-N103 VanDerWaalsContact O-N 3.1Å |
| 102 | V | 72.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 22% | 0.224 | 28% | 0.278 | C | S | . | . | trans | -67.8 | 115.5 | -178.5 | 165.7 | 0 | 0 | 0 | 0 | 111.8 | I98 I109 I112 | I98-V102 HydrophobicContact CB-CG2 3.62Å; I98-V102 HydrophobicContact CG2-CG2 4.17Å; I98-V102 WeakPolarHBondContact O-CB 3.42Å; I98-V102 WeakPolarHBondContact O-CG2 3.24Å; I98-V102 PolarHBondContact O-N 3.38Å; V102-I109 HydrophobicContact CG1-CD1 4.47Å; V102-I109 HydrophobicContact CG1-CG1 4.36Å; V102-I112 HydrophobicContact CG2-CD1 3.79Å | ||
| 103 | N | 65.4 | Low | 82 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 65% | 0.652 | 27% | 0.27 | S | S | * | . | trans | -86.7 | 142.4 | 164.6 | -170.9 | -2.5 | 0 | 0 | 0 | 109.6 | L101 N105 | L101-N103 PolarHBondContact O-N 3.27Å; L101-N103 VanDerWaalsContact O-N 3.1Å; N103-N105 PolarHBondContact O-N 2.92Å | ||
| 104 | S | 58.2 | Low | 81.9 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -64.3 | -1.8 | -171.6 | -45.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 105 | N | 52.7 | Low | 81.8 | Confident | 152 Ų | 152 | 54.5 Ų | 54.5 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -120.9 | 58.6 | -168 | -164.8 | 9.2 | 0 | 0 | 0 | 112.1 | N103 | N103-N105 PolarHBondContact O-N 2.92Š|
| 106 | S | 56.6 | Low | 81.8 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | trans | -146.7 | 142.7 | 176.1 | 67.4 | 0 | 0 | 0 | 0 | 114 | L108 I109 | S106-L108 PolarHBondContact O-N 3.25Å; S106-I109 PolarHBondContact O-N 3.38Å | ||
| 107 | E | 68.9 | Low | 81.8 | Confident | 153 Ų | 153 | 56.7 Ų | 56.7 | 72% | 0.715 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -21.5 | 171.7 | -167.5 | -176.6 | 168.3 | 0 | 0 | 113 | I109 R110 | E107-I109 VanDerWaalsContact C-N 3.27Å; E107-I109 PolarHBondContact O-N 3.02Å; E107-R110 PolarHBondContact O-N 3.33Å; E107-R110 IonicContact OE1-NH2 2.68Å |
| 108 | L | 81.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -27.7 | 176.8 | -52.6 | 179.8 | 0 | 0 | 0 | 113.3 | H76 M77 V80 S106 R110 L111 I112 | H76-L108 HydrophobicContact CB-CD1 3.53Å; M77-L108 HydrophobicContact CE-CD2 3.47Å; M77-L108 VanDerWaalsContact CE-CD2 3.47Å; M77-L108 HydrophobicContact SD-CD2 4.19Å; V80-L108 HydrophobicContact CG2-CB 4.46Å; S106-L108 PolarHBondContact O-N 3.25Å; L108-R110 PolarHBondContact O-N 3.32Å; L108-L111 HydrophobicContact CD2-CD1 4.29Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.07Å; L108-I112 HydrophobicContact CB-CD1 4.45Å; L108-I112 WeakPolarHBondContact O-CG1 3.27Å; L108-I112 PolarHBondContact O-N 3.49Å |
| 109 | I | 82.9 | Confident | 82.1 | Confident | 16 Ų | 16 | 62.3 Ų | 62.3 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -38.1 | 177.7 | -86.1 | 169.8 | 0 | 0 | 0 | 111.3 | V102 S106 E107 L111 I112 N113 E142 | V102-I109 HydrophobicContact CG1-CD1 4.47Å; V102-I109 HydrophobicContact CG1-CG1 4.36Å; S106-I109 PolarHBondContact O-N 3.38Å; E107-I109 VanDerWaalsContact C-N 3.27Å; E107-I109 PolarHBondContact O-N 3.02Å; I109-L111 PolarHBondContact O-N 3.3Å; I109-I112 PolarHBondContact O-N 3.13Å; I109-N113 WeakPolarHBondContact O-CB 3.43Å; I109-N113 VanDerWaalsContact O-CG 3.26Å; I109-N113 PolarHBondContact O-N 2.94Å; I109-N113 PolarHBondContact O-OD1 2.86Å; I109-E142 HydrophobicContact CG2-CB 4.02Å; I109-E142 HydrophobicContact CG2-CG 4.34Å |
| 110 | R | 84.8 | Confident | 82.2 | Confident | 145 Ų | 145 | 61.9 Ų | 61.9 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.5 | -173.2 | 177.6 | 62.2 | 93.5 | 0.3 | 112.1 | E107 L108 N114 | E107-R110 PolarHBondContact O-N 3.33Å; E107-R110 IonicContact OE1-NH2 2.68Å; L108-R110 PolarHBondContact O-N 3.32Å; R110-N114 PolarHBondContact O-N 3.07Å; R110-N114 PolarHBondContact O-ND2 3.06Å |
| 111 | L | 88.5 | Confident | 82.2 | Confident | 57 Ų | 57 | 62.6 Ų | 62.6 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 177 | -61.6 | 177.3 | 0 | 0 | 0 | 111.7 | M77 V80 L108 I109 N114 A115 | M77-L111 HydrophobicContact CE-CD1 4.12Å; M77-L111 HydrophobicContact SD-CD1 4.26Å; V80-L111 HydrophobicContact CG1-CB 3.8Å; V80-L111 HydrophobicContact CG1-CD1 4.36Å; L108-L111 HydrophobicContact CD2-CD1 4.29Å; L108-L111 WeakPolarHBondContact O-CB 3.31Å; L108-L111 PolarHBondContact O-N 3.07Å; I109-L111 PolarHBondContact O-N 3.3Å; L111-N114 PolarHBondContact O-N 2.58Å; L111-A115 PolarHBondContact O-N 2.56Å |
| 112 | I | 90.8 | Very high | 82.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 174.4 | -68.9 | 165.2 | 0 | 0 | 0 | 110 | V80 L83 I98 V102 L108 I109 N114 A115 I116 M143 | V80-I112 HydrophobicContact CG2-CD1 4.22Å; V80-I112 HydrophobicContact CG2-CG1 3.83Å; L83-I112 HydrophobicContact CD1-CG1 4.12Å; I98-I112 HydrophobicContact CB-CD1 4.29Å; I98-I112 HydrophobicContact CD1-CD1 4.19Å; I98-I112 HydrophobicContact CD1-CG1 4.05Å; I98-I112 HydrophobicContact CD1-CG2 3.72Å; I98-I112 HydrophobicContact CG2-CD1 4.17Å; V102-I112 HydrophobicContact CG2-CD1 3.79Å; L108-I112 HydrophobicContact CB-CD1 4.45Å; L108-I112 WeakPolarHBondContact O-CG1 3.27Å; L108-I112 PolarHBondContact O-N 3.49Å; I109-I112 PolarHBondContact O-N 3.13Å; I112-N114 VanDerWaalsContact C-N 3.3Å; I112-N114 PolarHBondContact O-N 2.85Å; I112-A115 PolarHBondContact O-N 3.12Å; I112-A115 VanDerWaalsContact O-N 3.1Å; I112-I116 HydrophobicContact CG2-CD1 3.66Å; I112-I116 HydrophobicContact CG2-CG1 4.3Å; I112-I116 WeakPolarHBondContact O-CB 3.5Å; I112-I116 WeakPolarHBondContact O-CG1 3.36Å; I112-I116 PolarHBondContact O-N 2.83Å; I112-M143 HydrophobicContact CG2-CE 3.8Å |
| 113 | N | 91.3 | Very high | 82.9 | Confident | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.9 | -39 | 177.5 | -72.6 | -0.6 | 0 | 0 | 0 | 111.7 | I109 I116 K117 M143 F147 | I109-N113 WeakPolarHBondContact O-CB 3.43Å; I109-N113 VanDerWaalsContact O-CG 3.26Å; I109-N113 PolarHBondContact O-N 2.94Å; I109-N113 PolarHBondContact O-OD1 2.86Å; N113-I116 PolarHBondContact O-N 3.02Å; N113-K117 VanDerWaalsContact O-CB 3.3Å; N113-K117 WeakPolarHBondContact O-CB 3.48Å; N113-K117 PolarHBondContact O-N 2.79Å; N113-M143 WeakPolarHBondContact OD1-CG 3.5Å; N113-F147 HydrophobicContact CB-CE2 4.28Å; N113-F147 HydrophobicContact CB-CZ 4.08Å; N113-F147 WeakPolarHBondContact O-CZ 3.48Å |
| 114 | N | 91.8 | Very high | 84.1 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -40.5 | 173.6 | -72.3 | -19.8 | 0 | 0 | 0 | 112.5 | R110 L111 I112 K117 N118 | R110-N114 PolarHBondContact O-N 3.07Å; R110-N114 PolarHBondContact O-ND2 3.06Å; L111-N114 PolarHBondContact O-N 2.58Å; I112-N114 VanDerWaalsContact C-N 3.3Å; I112-N114 PolarHBondContact O-N 2.85Å; N114-K117 PolarHBondContact O-N 3.14Å; N114-N118 VanDerWaalsContact O-CG 3.25Å; N114-N118 PolarHBondContact O-N 3.43Å; N114-N118 VanDerWaalsContact O-N 3.08Å; N114-N118 PolarHBondContact O-ND2 3.47Å |
| 115 | A | 93 | Very high | 85.8 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L83 L111 I112 K117 N118 D119 | L83-A115 HydrophobicContact CB-CB 3.73Å; L83-A115 HydrophobicContact CD1-CB 3.94Å; L111-A115 PolarHBondContact O-N 2.56Å; I112-A115 PolarHBondContact O-N 3.12Å; I112-A115 VanDerWaalsContact O-N 3.1Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.31Å; A115-N118 PolarHBondContact O-N 3.47Å; A115-D119 PolarHBondContact O-N 2.93Å |
| 116 | I | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.6 | -47.3 | 173.7 | -71.4 | 171.5 | 0 | 0 | 0 | 110.2 | Y95 I112 N113 N118 D119 L120 A131 C134 I135 M143 F147 | Y95-I116 HydrophobicContact CE1-CG1 3.91Å; I112-I116 HydrophobicContact CG2-CD1 3.66Å; I112-I116 HydrophobicContact CG2-CG1 4.3Å; I112-I116 WeakPolarHBondContact O-CB 3.5Å; I112-I116 WeakPolarHBondContact O-CG1 3.36Å; I112-I116 PolarHBondContact O-N 2.83Å; N113-I116 PolarHBondContact O-N 3.02Å; I116-N118 PolarHBondContact O-N 3.25Å; I116-D119 PolarHBondContact O-N 3.22Å; I116-D119 VanDerWaalsContact O-N 3.15Å; I116-L120 HydrophobicContact CG2-CD1 4.01Å; I116-L120 HydrophobicContact CG2-CG 4.34Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.83Å; I116-A131 HydrophobicContact CG2-CB 4.14Å; I116-C134 HydrophobicContact CD1-CB 4.42Å; I116-I135 HydrophobicContact CD1-CG1 4.26Å; I116-I135 HydrophobicContact CG2-CD1 3.71Å; I116-I135 HydrophobicContact CG2-CG1 3.98Å; I116-M143 HydrophobicContact CD1-CE 4.11Å; I116-M143 HydrophobicContact CD1-SD 4.5Å; I116-F147 HydrophobicContact CB-CE2 4.18Å; I116-F147 HydrophobicContact CB-CZ 3.8Å; I116-F147 HydrophobicContact CD1-CE2 4.4Å; I116-F147 HydrophobicContact CG2-CD1 4.44Å; I116-F147 HydrophobicContact CG2-CD2 4.21Å; I116-F147 HydrophobicContact CG2-CE1 3.82Å; I116-F147 HydrophobicContact CG2-CE2 3.57Å; I116-F147 HydrophobicContact CG2-CZ 3.35Å |
| 117 | K | 93.9 | Very high | 89.6 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 178.8 | -171 | 169.6 | -175.3 | 167.8 | 0 | 112.3 | N113 N114 A115 D119 A121 F147 | N113-K117 VanDerWaalsContact O-CB 3.3Å; N113-K117 WeakPolarHBondContact O-CB 3.48Å; N113-K117 PolarHBondContact O-N 2.79Å; N114-K117 PolarHBondContact O-N 3.14Å; A115-K117 VanDerWaalsContact C-N 3.35Å; A115-K117 PolarHBondContact O-N 3.31Å; K117-D119 VanDerWaalsContact C-N 3.34Å; K117-D119 PolarHBondContact O-N 2.98Å; K117-A121 WeakPolarHBondContact O-CB 3.28Å; K117-A121 PolarHBondContact O-N 3.36Å; K117-F147 HydrophobicContact CB-CE1 4.08Å |
| 118 | N | 94.4 | Very high | 90.8 | Very high | 110 Ų | 110 | 54.8 Ų | 54.8 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.6 | -39.1 | 175.6 | -69.9 | -19.6 | 0 | 0 | 0 | 112 | N114 A115 I116 A121 S122 | N114-N118 VanDerWaalsContact O-CG 3.25Å; N114-N118 PolarHBondContact O-N 3.43Å; N114-N118 VanDerWaalsContact O-N 3.08Å; N114-N118 PolarHBondContact O-ND2 3.47Å; A115-N118 PolarHBondContact O-N 3.47Å; I116-N118 PolarHBondContact O-N 3.25Å; N118-A121 PolarHBondContact O-N 3.49Å; N118-S122 WeakPolarHBondContact O-CB 3.28Å; N118-S122 PolarHBondContact O-N 3.14Å |
| 119 | D | 94.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.053 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.8 | -37.4 | 179.7 | -78.6 | -11.3 | 0 | 0 | 0 | 113.2 | K91 Y95 A115 I116 K117 A121 S122 F127 M128 A131 | K91-D119 WeakPolarHBondContact CE-OD1 3.29Å; K91-D119 IonicContact NZ-OD1 3.79Å; K91-D119 PolarHBondContact NZ-OD1 3.19Å; K91-D119 IonicContact NZ-OD2 2.77Å; K91-D119 PolarHBondContact NZ-OD2 3.18Å; Y95-D119 VanDerWaalsContact CE2-OD2 3.29Å; Y95-D119 WeakPolarHBondContact CE2-OD2 3.43Å; Y95-D119 PolarHBondContact OH-OD2 3.08Å; A115-D119 PolarHBondContact O-N 2.93Å; I116-D119 PolarHBondContact O-N 3.22Å; I116-D119 VanDerWaalsContact O-N 3.15Å; K117-D119 VanDerWaalsContact C-N 3.34Å; K117-D119 PolarHBondContact O-N 2.98Å; D119-A121 VanDerWaalsContact C-N 3.29Å; D119-A121 PolarHBondContact O-N 3.34Å; D119-S122 WeakPolarHBondContact O-CB 3.36Å; D119-S122 PolarHBondContact O-N 3.46Å; D119-S122 PolarHBondContact O-OG 2.71Å; D119-F127 HydrophobicContact CB-CB 4.17Å; D119-M128 WeakPolarHBondContact O-CG 3.39Å; D119-A131 HydrophobicContact CB-CB 3.95Å |
| 120 | L | 93.2 | Very high | 92 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -36.3 | 170.1 | -67 | 177.8 | 0 | 0 | 0 | 111.7 | I116 A131 L132 I135 F147 I151 I154 | I116-L120 HydrophobicContact CG2-CD1 4.01Å; I116-L120 HydrophobicContact CG2-CG 4.34Å; I116-L120 WeakPolarHBondContact O-CG 3.44Å; I116-L120 PolarHBondContact O-N 2.83Å; L120-A131 HydrophobicContact CD2-CB 3.9Å; L120-A131 HydrophobicContact CG-CB 4.06Å; L120-L132 HydrophobicContact CD2-CD2 3.97Å; L120-L132 HydrophobicContact CD2-CG 3.9Å; L120-I135 HydrophobicContact CD1-CD1 4.22Å; L120-F147 HydrophobicContact CD1-CD1 3.95Å; L120-F147 HydrophobicContact CD1-CE1 4.23Å; L120-I151 HydrophobicContact CD1-CD1 4.2Å; L120-I154 HydrophobicContact CB-CD1 4.41Å; L120-I154 HydrophobicContact CD1-CD1 4.46Å; L120-I154 HydrophobicContact CD2-CD1 4.08Å |
| 121 | A | 91.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -76.1 | -19 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K117 N118 D119 R123 | K117-A121 WeakPolarHBondContact O-CB 3.28Å; K117-A121 PolarHBondContact O-N 3.36Å; N118-A121 PolarHBondContact O-N 3.49Å; D119-A121 VanDerWaalsContact C-N 3.29Å; D119-A121 PolarHBondContact O-N 3.34Å; A121-R123 PolarHBondContact O-N 3.35Å |
| 122 | S | 87.2 | Confident | 92.9 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -6.7 | -167.8 | 73 | 0 | 0 | 0 | 0 | 116.2 | N118 D119 N124 | N118-S122 WeakPolarHBondContact O-CB 3.28Å; N118-S122 PolarHBondContact O-N 3.14Å; D119-S122 WeakPolarHBondContact O-CB 3.36Å; D119-S122 PolarHBondContact O-N 3.46Å; D119-S122 PolarHBondContact O-OG 2.71Å; S122-N124 PolarHBondContact O-N 3.44Å; S122-N124 PolarHBondContact OG-N 3.25Å |
| 123 | R | 84.1 | Confident | 93.1 | Very high | 217 Ų | 217 | 49.2 Ų | 49.2 | 82% | 0.819 | 26% | 0.256 | S | S | * | . | trans | 54.6 | -2.3 | -169.8 | -66.6 | -174.5 | 171.4 | -175.7 | -4.4 | 115.7 | A121 A125 | A121-R123 PolarHBondContact O-N 3.35Å; R123-A125 PolarHBondContact O-N 3.45Å | ||
| 124 | N | 92.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 48.3 Ų | 48.3 | 33% | 0.326 | 25% | 0.252 | S | S | . | . | trans | -81.3 | 105.4 | 175.9 | -178.2 | -19.6 | 0 | 0 | 0 | 109.3 | S122 T126 F127 M128 | S122-N124 PolarHBondContact O-N 3.44Å; S122-N124 PolarHBondContact OG-N 3.25Å; N124-T126 PolarHBondContact O-N 3.43Å; N124-T126 WeakPolarHBondContact OD1-CB 3.38Å; N124-T126 PolarHBondContact OD1-N 3.38Å; N124-F127 HydrophobicContact CB-CB 4.28Å; N124-F127 HydrophobicContact CB-CD2 3.86Å; N124-F127 HydrophobicContact CB-CE2 4.46Å; N124-F127 HydrophobicContact CB-CG 4.14Å; N124-F127 WeakPolarHBondContact ND2-CD2 3.17Å; N124-F127 VanDerWaalsContact ND2-CE2 3.35Å; N124-F127 WeakPolarHBondContact ND2-CE2 3.49Å; N124-F127 PolarHBondContact O-N 3.35Å; N124-M128 WeakPolarHBondContact O-CG 3.03Å; N124-M128 PolarHBondContact O-N 3.33Å | ||
| 125 | A | 92.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -49.9 | -32.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R123 N129 M161 V164 | R123-A125 PolarHBondContact O-N 3.45Å; A125-N129 VanDerWaalsContact O-CB 3.3Å; A125-N129 WeakPolarHBondContact O-CB 3.47Å; A125-N129 VanDerWaalsContact O-CG 3.28Å; A125-N129 PolarHBondContact O-N 3.23Å; A125-N129 PolarHBondContact O-ND2 2.95Å; A125-M161 HydrophobicContact CB-CB 4.27Å; A125-M161 HydrophobicContact CB-CG 4.31Å; A125-M161 HydrophobicContact CB-SD 3.61Å; A125-V164 HydrophobicContact CB-CG2 3.65Å |
| 126 | T | 94.5 | Very high | 93.4 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.5 | -40.8 | 177.4 | -51.2 | 0 | 0 | 0 | 0 | 112.1 | Y88 N124 L130 | Y88-T126 HydrophobicContact CD2-CG2 3.38Å; Y88-T126 HydrophobicContact CE2-CG2 3.55Å; Y88-T126 HydrophobicContact CG-CG2 4.35Å; N124-T126 PolarHBondContact O-N 3.43Å; N124-T126 WeakPolarHBondContact OD1-CB 3.38Å; N124-T126 PolarHBondContact OD1-N 3.38Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 3.38Å; T126-L130 VanDerWaalsContact O-N 3.15Å |
| 127 | F | 94.7 | Very high | 93.3 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 10% | 0.101 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -76.1 | -39.2 | 178.7 | -60.2 | -15.6 | 0 | 0 | 0 | 111.2 | K91 D119 N124 N129 L130 A131 | K91-F127 HydrophobicContact CD-CD1 3.57Å; K91-F127 HydrophobicContact CD-CD2 4.28Å; K91-F127 HydrophobicContact CD-CE1 3.61Å; K91-F127 HydrophobicContact CD-CE2 4.3Å; K91-F127 HydrophobicContact CD-CG 3.94Å; K91-F127 HydrophobicContact CD-CZ 3.99Å; D119-F127 HydrophobicContact CB-CB 4.17Å; N124-F127 HydrophobicContact CB-CB 4.28Å; N124-F127 HydrophobicContact CB-CD2 3.86Å; N124-F127 HydrophobicContact CB-CE2 4.46Å; N124-F127 HydrophobicContact CB-CG 4.14Å; N124-F127 WeakPolarHBondContact ND2-CD2 3.17Å; N124-F127 VanDerWaalsContact ND2-CE2 3.35Å; N124-F127 WeakPolarHBondContact ND2-CE2 3.49Å; N124-F127 PolarHBondContact O-N 3.35Å; F127-N129 VanDerWaalsContact C-N 3.31Å; F127-N129 PolarHBondContact O-N 3.47Å; F127-L130 PolarHBondContact O-N 2.63Å; F127-A131 WeakPolarHBondContact O-CB 3.43Å; F127-A131 PolarHBondContact O-N 3.5Å |
| 128 | M | 94.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.8 | -44.5 | 170.6 | -63.9 | 178.4 | 77 | 0 | 0 | 111.3 | D119 N124 A131 L132 I154 V164 | D119-M128 WeakPolarHBondContact O-CG 3.39Å; N124-M128 WeakPolarHBondContact O-CG 3.03Å; N124-M128 PolarHBondContact O-N 3.33Å; M128-A131 PolarHBondContact O-N 3.07Å; M128-L132 WeakPolarHBondContact O-CB 3.49Å; M128-L132 WeakPolarHBondContact O-CG 3.25Å; M128-L132 PolarHBondContact O-N 2.96Å; M128-I154 HydrophobicContact CE-CG2 3.96Å; M128-V164 HydrophobicContact CB-CG1 4.28Å; M128-V164 HydrophobicContact CB-CG2 4.38Å; M128-V164 HydrophobicContact CE-CG1 3.94Å; M128-V164 HydrophobicContact SD-CG1 4.47Å |
| 129 | N | 95.3 | Very high | 92.7 | Very high | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.118 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 176.4 | -81.8 | -51.6 | 0 | 0 | 0 | 112.6 | A125 F127 A131 L132 H133 S163 S167 | A125-N129 VanDerWaalsContact O-CB 3.3Å; A125-N129 WeakPolarHBondContact O-CB 3.47Å; A125-N129 VanDerWaalsContact O-CG 3.28Å; A125-N129 PolarHBondContact O-N 3.23Å; A125-N129 PolarHBondContact O-ND2 2.95Å; F127-N129 VanDerWaalsContact C-N 3.31Å; F127-N129 PolarHBondContact O-N 3.47Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.42Å; N129-L132 PolarHBondContact O-N 2.88Å; N129-H133 WeakPolarHBondContact O-CB 3.25Å; N129-H133 PolarHBondContact O-CD2 3.29Å; N129-H133 PolarHBondContact O-N 2.84Å; N129-S163 PolarHBondContact ND2-OG 3.35Å; N129-S163 PolarHBondContact OD1-O 3.03Å; N129-S163 VanDerWaalsContact OD1-O 3.11Å; N129-S167 WeakPolarHBondContact OD1-CB 3.19Å; N129-S167 PolarHBondContact OD1-OG 2.77Å |
| 130 | L | 95.6 | Very high | 92.4 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 174.9 | -73.4 | 174.2 | 0 | 0 | 0 | 112.2 | Y88 K91 Y95 T126 F127 H133 C134 | Y88-L130 HydrophobicContact CD2-CD1 3.9Å; Y88-L130 HydrophobicContact CE2-CD1 3.84Å; Y88-L130 HydrophobicContact CE2-CD2 4.25Å; Y88-L130 HydrophobicContact CE2-CG 4.23Å; K91-L130 HydrophobicContact CB-CD1 4Å; Y95-L130 HydrophobicContact CD2-CB 3.76Å; Y95-L130 HydrophobicContact CD2-CD1 4.15Å; Y95-L130 HydrophobicContact CD2-CG 4.44Å; Y95-L130 HydrophobicContact CE2-CB 3.98Å; Y95-L130 HydrophobicContact CG-CB 4.33Å; T126-L130 WeakPolarHBondContact O-CG 3.38Å; T126-L130 PolarHBondContact O-N 3.38Å; T126-L130 VanDerWaalsContact O-N 3.15Å; F127-L130 PolarHBondContact O-N 2.63Å; L130-H133 PolarHBondContact O-N 3.2Å; L130-C134 WeakPolarHBondContact O-CB 3.25Å; L130-C134 PolarHBondContact O-N 2.91Å |
| 131 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | I116 D119 L120 F127 M128 N129 H133 C134 I135 | I116-A131 HydrophobicContact CG2-CB 4.14Å; D119-A131 HydrophobicContact CB-CB 3.95Å; L120-A131 HydrophobicContact CD2-CB 3.9Å; L120-A131 HydrophobicContact CG-CB 4.06Å; F127-A131 WeakPolarHBondContact O-CB 3.43Å; F127-A131 PolarHBondContact O-N 3.5Å; M128-A131 PolarHBondContact O-N 3.07Å; N129-A131 VanDerWaalsContact C-N 3.32Å; N129-A131 PolarHBondContact O-N 3.42Å; A131-H133 PolarHBondContact O-N 3.48Å; A131-C134 WeakPolarHBondContact O-CB 3.24Å; A131-C134 PolarHBondContact O-N 3.08Å; A131-I135 WeakPolarHBondContact O-CG1 3.4Å; A131-I135 PolarHBondContact O-N 1.86Å |
| 132 | L | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 176.6 | -70.9 | 169.6 | 0 | 0 | 0 | 112.5 | L120 M128 N129 I135 A136 I151 V164 A168 C171 | L120-L132 HydrophobicContact CD2-CD2 3.97Å; L120-L132 HydrophobicContact CD2-CG 3.9Å; M128-L132 WeakPolarHBondContact O-CB 3.49Å; M128-L132 WeakPolarHBondContact O-CG 3.25Å; M128-L132 PolarHBondContact O-N 2.96Å; N129-L132 PolarHBondContact O-N 2.88Å; L132-I135 PolarHBondContact O-N 3.01Å; L132-A136 WeakPolarHBondContact O-CB 3.44Å; L132-A136 PolarHBondContact O-N 3.31Å; L132-I151 HydrophobicContact CD2-CD1 3.67Å; L132-I151 HydrophobicContact CD2-CG1 4.49Å; L132-I151 HydrophobicContact CD2-CG2 4.25Å; L132-V164 HydrophobicContact CD1-CG1 3.81Å; L132-A168 HydrophobicContact CD1-CB 4.09Å; L132-A168 HydrophobicContact CD2-CB 4.41Å; L132-C171 HydrophobicContact CD2-CB 4.25Å |
| 133 | H | 95.9 | Very high | 92 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 40% | 0.398 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -68 | -37.3 | 176.3 | -66.3 | 175.3 | 0 | 0 | 0 | 111.6 | N129 L130 A131 A136 N137 S167 | N129-H133 WeakPolarHBondContact O-CB 3.25Å; N129-H133 PolarHBondContact O-CD2 3.29Å; N129-H133 PolarHBondContact O-N 2.84Å; L130-H133 PolarHBondContact O-N 3.2Å; A131-H133 PolarHBondContact O-N 3.48Å; H133-A136 PolarHBondContact O-N 3Å; H133-N137 VanDerWaalsContact O-CB 3.31Å; H133-N137 WeakPolarHBondContact O-CB 3.41Å; H133-N137 PolarHBondContact O-N 3.36Å; H133-N137 PolarHBondContact O-ND2 3.47Å; H133-S167 PolarHBondContact NE2-OG 3.38Å |
| 134 | C | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 173.7 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | Y95 I116 L130 A131 A136 N137 V138 | Y95-C134 HydrophobicContact CD1-CB 3.58Å; Y95-C134 HydrophobicContact CE1-CB 3.92Å; I116-C134 HydrophobicContact CD1-CB 4.42Å; L130-C134 WeakPolarHBondContact O-CB 3.25Å; L130-C134 PolarHBondContact O-N 2.91Å; A131-C134 WeakPolarHBondContact O-CB 3.24Å; A131-C134 PolarHBondContact O-N 3.08Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 3.25Å; C134-N137 PolarHBondContact O-N 3.01Å; C134-V138 WeakPolarHBondContact O-CB 3.46Å; C134-V138 WeakPolarHBondContact O-CG2 3.31Å; C134-V138 PolarHBondContact O-N 3.27Å |
| 135 | I | 93.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.8 | -61.1 | 163.8 | 0 | 0 | 0 | 110.4 | I116 L120 A131 L132 G139 F147 I151 C171 L175 | I116-I135 HydrophobicContact CD1-CG1 4.26Å; I116-I135 HydrophobicContact CG2-CD1 3.71Å; I116-I135 HydrophobicContact CG2-CG1 3.98Å; L120-I135 HydrophobicContact CD1-CD1 4.22Å; A131-I135 WeakPolarHBondContact O-CG1 3.4Å; A131-I135 PolarHBondContact O-N 1.86Å; L132-I135 PolarHBondContact O-N 3.01Å; I135-G139 VanDerWaalsContact O-CA 3.25Å; I135-G139 WeakPolarHBondContact O-CA 3.27Å; I135-G139 PolarHBondContact O-N 2.89Å; I135-F147 HydrophobicContact CD1-CB 4.13Å; I135-F147 HydrophobicContact CD1-CD2 3.69Å; I135-F147 HydrophobicContact CD1-CE2 4.3Å; I135-F147 HydrophobicContact CD1-CG 3.89Å; I135-F147 HydrophobicContact CG1-CD2 3.97Å; I135-F147 HydrophobicContact CG1-CE2 4.39Å; I135-I151 HydrophobicContact CD1-CD1 4.13Å; I135-C171 VanDerWaalsContact CG2-SG 3.5Å; I135-L175 HydrophobicContact CG2-CD1 4.29Å; I135-L175 HydrophobicContact CG2-CD2 3.87Å; I135-L175 HydrophobicContact CG2-CG 4.31Å |
| 136 | A | 94.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 19% | 0.19 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.4 | -36.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L132 H133 C134 C171 R174 | L132-A136 WeakPolarHBondContact O-CB 3.44Å; L132-A136 PolarHBondContact O-N 3.31Å; H133-A136 PolarHBondContact O-N 3Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 3.25Å; A136-C171 HydrophobicContact CB-CB 4.27Å; A136-R174 WeakPolarHBondContact O-CG 3.48Å; A136-R174 PolarHBondContact O-NE 2.8Å |
| 137 | N | 92.6 | Very high | 92.2 | Very high | 108 Ų | 108 | 32.7 Ų | 32.7 | 58% | 0.578 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -76.6 | -47.7 | -179.8 | -69.2 | -21.4 | 0 | 0 | 0 | 111.7 | H133 C134 | H133-N137 VanDerWaalsContact O-CB 3.31Å; H133-N137 WeakPolarHBondContact O-CB 3.41Å; H133-N137 PolarHBondContact O-N 3.36Å; H133-N137 PolarHBondContact O-ND2 3.47Å; C134-N137 PolarHBondContact O-N 3.01Å |
| 138 | V | 89.8 | Confident | 91.9 | Very high | 34 Ų | 34 | 31.8 Ų | 31.8 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -75.6 | -56.4 | -179 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | C134 S140 M143 | C134-V138 WeakPolarHBondContact O-CB 3.46Å; C134-V138 WeakPolarHBondContact O-CG2 3.31Å; C134-V138 PolarHBondContact O-N 3.27Å; V138-S140 PolarHBondContact O-N 3.49Å; V138-M143 HydrophobicContact CB-CE 4.19Å; V138-M143 HydrophobicContact CB-SD 3.89Å; V138-M143 HydrophobicContact CG1-CE 3.94Å; V138-M143 HydrophobicContact CG1-SD 3.9Å; V138-M143 HydrophobicContact CG2-CE 4.46Å |
| 139 | G | 85.4 | Confident | 91.7 | Very high | 7 Ų | 7 | 34 Ų | 34 | 7% | 0.072 | 19% | 0.185 | C | C | . | . | trans | 57.2 | 41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | I135 T178 | I135-G139 VanDerWaalsContact O-CA 3.25Å; I135-G139 WeakPolarHBondContact O-CA 3.27Å; I135-G139 PolarHBondContact O-N 2.89Å; G139-T178 WeakPolarHBondContact O-CG2 3.26Å | ||
| 140 | S | 87.8 | Confident | 91.5 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | trans | -72.4 | 159.8 | 176.6 | 92.8 | 0 | 0 | 0 | 0 | 111.5 | V138 E142 M143 A144 | V138-S140 PolarHBondContact O-N 3.49Å; S140-E142 VanDerWaalsContact C-N 3.31Å; S140-E142 WeakPolarHBondContact CB-OE2 3.49Å; S140-E142 PolarHBondContact O-N 3.21Å; S140-E142 PolarHBondContact OG-N 2.96Å; S140-E142 PolarHBondContact OG-OE2 3.21Å; S140-M143 PolarHBondContact O-N 2.99Å; S140-M143 PolarHBondContact OG-N 3.35Å; S140-A144 PolarHBondContact O-N 3.18Å | ||
| 141 | R | 88.4 | Confident | 91.4 | Very high | 88 Ų | 88 | 34.3 Ų | 34.3 | 33% | 0.332 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.6 | 178.7 | 60 | -178 | -159.7 | 0.7 | 111.3 | M143 A144 E145 S179 D181 | R141-M143 VanDerWaalsContact C-N 3.32Å; R141-M143 PolarHBondContact O-N 3.4Å; R141-A144 WeakPolarHBondContact O-CB 3.5Å; R141-A144 PolarHBondContact O-N 2.98Å; R141-A144 VanDerWaalsContact O-N 3.11Å; R141-E145 IonicContact CZ-OE1 2.59Å; R141-E145 IonicContact NE-OE1 3.8Å; R141-E145 PolarHBondContact NE-OE1 3.48Å; R141-E145 IonicContact NH2-OE1 3.35Å; R141-E145 WeakPolarHBondContact O-CG 3.25Å; R141-E145 PolarHBondContact O-N 2.95Å; R141-S179 WeakPolarHBondContact CD-OG 3.48Å; R141-S179 VanDerWaalsContact NH1-CB 3.28Å; R141-S179 PolarHBondContact NH1-OG 3.49Å; R141-D181 IonicContact CZ-OD1 3.14Å; R141-D181 IonicContact CZ-OD2 2.67Å; R141-D181 VanDerWaalsContact CZ-OD2 3.23Å; R141-D181 VanDerWaalsContact NH1-CG 3.28Å; R141-D181 IonicContact NH1-OD1 2.91Å; R141-D181 PolarHBondContact NH1-OD1 2.88Å; R141-D181 IonicContact NH1-OD2 2.78Å; R141-D181 PolarHBondContact NH1-OD2 3.44Å; R141-D181 IonicContact NH2-OD2 3.12Å; R141-D181 PolarHBondContact NH2-OD2 3.45Å |
| 142 | E | 87.4 | Confident | 91.2 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 36% | 0.355 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -67.1 | -32.9 | 179.6 | -47.4 | 73.5 | -161.5 | 0 | 0 | 111.6 | I109 S140 A146 | I109-E142 HydrophobicContact CG2-CB 4.02Å; I109-E142 HydrophobicContact CG2-CG 4.34Å; S140-E142 VanDerWaalsContact C-N 3.31Å; S140-E142 WeakPolarHBondContact CB-OE2 3.49Å; S140-E142 PolarHBondContact O-N 3.21Å; S140-E142 PolarHBondContact OG-N 2.96Å; S140-E142 PolarHBondContact OG-OE2 3.21Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.5Å; E142-A146 PolarHBondContact O-N 3.26Å |
| 143 | M | 89.4 | Confident | 91 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.2 | -38.9 | 170.6 | -71.7 | -176.3 | -177.4 | 0 | 0 | 111.7 | I112 N113 I116 V138 S140 R141 A146 F147 | I112-M143 HydrophobicContact CG2-CE 3.8Å; N113-M143 WeakPolarHBondContact OD1-CG 3.5Å; I116-M143 HydrophobicContact CD1-CE 4.11Å; I116-M143 HydrophobicContact CD1-SD 4.5Å; V138-M143 HydrophobicContact CB-CE 4.19Å; V138-M143 HydrophobicContact CB-SD 3.89Å; V138-M143 HydrophobicContact CG1-CE 3.94Å; V138-M143 HydrophobicContact CG1-SD 3.9Å; V138-M143 HydrophobicContact CG2-CE 4.46Å; S140-M143 PolarHBondContact O-N 2.99Å; S140-M143 PolarHBondContact OG-N 3.35Å; R141-M143 VanDerWaalsContact C-N 3.32Å; R141-M143 PolarHBondContact O-N 3.4Å; M143-A146 PolarHBondContact O-N 2.91Å; M143-F147 HydrophobicContact CB-CD2 4.32Å; M143-F147 WeakPolarHBondContact O-CB 3.24Å; M143-F147 WeakPolarHBondContact O-CD2 3.27Å; M143-F147 PolarHBondContact O-N 3.38Å |
| 144 | A | 91.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S140 R141 A146 F147 A148 L175 L182 | S140-A144 PolarHBondContact O-N 3.18Å; R141-A144 WeakPolarHBondContact O-CB 3.5Å; R141-A144 PolarHBondContact O-N 2.98Å; R141-A144 VanDerWaalsContact O-N 3.11Å; A144-A146 VanDerWaalsContact C-N 3.31Å; A144-A146 PolarHBondContact O-N 2.74Å; A144-F147 PolarHBondContact O-N 2.99Å; A144-A148 WeakPolarHBondContact O-CB 3.43Å; A144-A148 PolarHBondContact O-N 2.95Å; A144-L175 HydrophobicContact CB-CD2 3.88Å; A144-L182 HydrophobicContact CB-CD1 3.64Å |
| 145 | E | 90.9 | Very high | 90.8 | Very high | 114 Ų | 114 | 39.2 Ų | 39.2 | 53% | 0.533 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.4 | -36 | 177.4 | -68.9 | 172.8 | -179.8 | 0 | 0 | 112.5 | R141 L182 | R141-E145 IonicContact CZ-OE1 2.59Å; R141-E145 IonicContact NE-OE1 3.8Å; R141-E145 PolarHBondContact NE-OE1 3.48Å; R141-E145 IonicContact NH2-OE1 3.35Å; R141-E145 WeakPolarHBondContact O-CG 3.25Å; R141-E145 PolarHBondContact O-N 2.95Å; E145-L182 HydrophobicContact CB-CD1 4.38Å; E145-L182 HydrophobicContact CG-CD1 3.49Å; E145-L182 VanDerWaalsContact CG-CD1 3.49Å; E145-L182 HydrophobicContact CG-CD2 4.22Å |
| 146 | A | 90.7 | Very high | 90.7 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -74.9 | -29.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | E142 M143 A144 | E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.5Å; E142-A146 PolarHBondContact O-N 3.26Å; M143-A146 PolarHBondContact O-N 2.91Å; A144-A146 VanDerWaalsContact C-N 3.31Å; A144-A146 PolarHBondContact O-N 2.74Å |
| 147 | F | 93 | Very high | 90.5 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -128.3 | -13.4 | -166.4 | -56.3 | -60.2 | 0 | 0 | 0 | 116.2 | N113 I116 K117 L120 I135 M143 A144 S149 D150 I151 | N113-F147 HydrophobicContact CB-CE2 4.28Å; N113-F147 HydrophobicContact CB-CZ 4.08Å; N113-F147 WeakPolarHBondContact O-CZ 3.48Å; I116-F147 HydrophobicContact CB-CE2 4.18Å; I116-F147 HydrophobicContact CB-CZ 3.8Å; I116-F147 HydrophobicContact CD1-CE2 4.4Å; I116-F147 HydrophobicContact CG2-CD1 4.44Å; I116-F147 HydrophobicContact CG2-CD2 4.21Å; I116-F147 HydrophobicContact CG2-CE1 3.82Å; I116-F147 HydrophobicContact CG2-CE2 3.57Å; I116-F147 HydrophobicContact CG2-CZ 3.35Å; K117-F147 HydrophobicContact CB-CE1 4.08Å; L120-F147 HydrophobicContact CD1-CD1 3.95Å; L120-F147 HydrophobicContact CD1-CE1 4.23Å; I135-F147 HydrophobicContact CD1-CB 4.13Å; I135-F147 HydrophobicContact CD1-CD2 3.69Å; I135-F147 HydrophobicContact CD1-CE2 4.3Å; I135-F147 HydrophobicContact CD1-CG 3.89Å; I135-F147 HydrophobicContact CG1-CD2 3.97Å; I135-F147 HydrophobicContact CG1-CE2 4.39Å; M143-F147 HydrophobicContact CB-CD2 4.32Å; M143-F147 WeakPolarHBondContact O-CB 3.24Å; M143-F147 WeakPolarHBondContact O-CD2 3.27Å; M143-F147 PolarHBondContact O-N 3.38Å; A144-F147 PolarHBondContact O-N 2.99Å; F147-S149 PolarHBondContact O-N 2.96Å; F147-S149 VanDerWaalsContact O-N 3.1Å; F147-D150 PolarHBondContact O-N 3.48Å; F147-I151 HydrophobicContact CB-CD1 4.13Å; F147-I151 HydrophobicContact CB-CG1 4.27Å; F147-I151 WeakPolarHBondContact O-CG1 3.34Å; F147-I151 PolarHBondContact O-N 2.85Å; F147-I151 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 90.1 | Very high | 90 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -26.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A144 P152 L175 L182 V183 | A144-A148 WeakPolarHBondContact O-CB 3.43Å; A144-A148 PolarHBondContact O-N 2.95Å; A148-P152 WeakPolarHBondContact O-CD 3.48Å; A148-P152 WeakPolarHBondContact O-CG 3.38Å; A148-L175 HydrophobicContact CB-CD1 4.37Å; A148-L182 HydrophobicContact CB-CB 4.13Å; A148-L182 WeakPolarHBondContact CB-O 3.43Å; A148-V183 HydrophobicContact CB-CG2 4.45Å |
| 149 | S | 89.3 | Confident | 89.8 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22 | 174.5 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | F147 R153 | F147-S149 PolarHBondContact O-N 2.96Å; F147-S149 VanDerWaalsContact O-N 3.1Å; S149-R153 WeakPolarHBondContact O-CD 3.1Å; S149-R153 WeakPolarHBondContact O-CG 3.45Å |
| 150 | D | 90.6 | Very high | 90 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -33.8 | -175.3 | -74.6 | -23 | 0 | 0 | 0 | 112.8 | F147 R153 I154 | F147-D150 PolarHBondContact O-N 3.48Å; D150-R153 WeakPolarHBondContact O-CB 3.42Å; D150-R153 PolarHBondContact O-N 2.85Å; D150-R153 VanDerWaalsContact O-N 3.12Å; D150-R153 IonicContact OD1-CZ 2.67Å; D150-R153 IonicContact OD1-NH1 3.33Å; D150-R153 PolarHBondContact OD1-NH1 3.05Å; D150-I154 WeakPolarHBondContact O-CG1 3.3Å; D150-I154 PolarHBondContact O-N 3.22Å |
| 151 | I | 93.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -42.9 | 178.4 | -51.1 | -41.8 | 0 | 0 | 0 | 112.7 | L120 L132 I135 F147 R153 I154 L155 A168 C171 L172 L175 | L120-I151 HydrophobicContact CD1-CD1 4.2Å; L132-I151 HydrophobicContact CD2-CD1 3.67Å; L132-I151 HydrophobicContact CD2-CG1 4.49Å; L132-I151 HydrophobicContact CD2-CG2 4.25Å; I135-I151 HydrophobicContact CD1-CD1 4.13Å; F147-I151 HydrophobicContact CB-CD1 4.13Å; F147-I151 HydrophobicContact CB-CG1 4.27Å; F147-I151 WeakPolarHBondContact O-CG1 3.34Å; F147-I151 PolarHBondContact O-N 2.85Å; F147-I151 VanDerWaalsContact O-N 3.08Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 2.93Å; I151-I154 HydrophobicContact CD1-CD1 4.38Å; I151-I154 PolarHBondContact O-N 3.43Å; I151-L155 WeakPolarHBondContact O-CB 3.32Å; I151-L155 PolarHBondContact O-N 3Å; I151-A168 HydrophobicContact CG2-CB 4.09Å; I151-A168 WeakPolarHBondContact CG2-O 3.22Å; I151-C171 HydrophobicContact CG2-CB 4.29Å; I151-L172 HydrophobicContact CG2-CB 4Å; I151-L175 HydrophobicContact CG1-CD1 4.03Å |
| 152 | P | 92.5 | Very high | 90.5 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | 174.6 | -21.2 | 31.8 | 0 | 0 | 0 | 112.8 | A148 L155 V156 L172 W188 | A148-P152 WeakPolarHBondContact O-CD 3.48Å; A148-P152 WeakPolarHBondContact O-CG 3.38Å; P152-L155 PolarHBondContact O-N 3.4Å; P152-V156 WeakPolarHBondContact O-CG2 3.42Å; P152-V156 PolarHBondContact O-N 3.32Å; P152-V156 VanDerWaalsContact O-N 3.17Å; P152-L172 HydrophobicContact CB-CD2 4.18Å; P152-L172 HydrophobicContact CG-CD1 3.84Å; P152-L172 HydrophobicContact CG-CD2 3.88Å; P152-W188 HydrophobicContact CB-CB 4.32Å; P152-W188 HydrophobicContact CB-CD2 3.94Å; P152-W188 HydrophobicContact CB-CG 3.78Å |
| 153 | R | 90.8 | Very high | 90.9 | Very high | 158 Ų | 158 | 46.8 Ų | 46.8 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 177.3 | -63.5 | 172.7 | 176.6 | 150.8 | -3.4 | 111.2 | S149 D150 I151 L155 V156 A157 | S149-R153 WeakPolarHBondContact O-CD 3.1Å; S149-R153 WeakPolarHBondContact O-CG 3.45Å; D150-R153 WeakPolarHBondContact O-CB 3.42Å; D150-R153 PolarHBondContact O-N 2.85Å; D150-R153 VanDerWaalsContact O-N 3.12Å; D150-R153 IonicContact OD1-CZ 2.67Å; D150-R153 IonicContact OD1-NH1 3.33Å; D150-R153 PolarHBondContact OD1-NH1 3.05Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 2.93Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 2.86Å; R153-V156 PolarHBondContact O-N 3.03Å; R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 3.39Å; R153-A157 VanDerWaalsContact O-N 3.16Å |
| 154 | I | 92.6 | Very high | 91.2 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.128 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 175.4 | -64.6 | 167.8 | 0 | 0 | 0 | 110.5 | L120 M128 D150 I151 V156 A157 T160 V164 A168 | L120-I154 HydrophobicContact CB-CD1 4.41Å; L120-I154 HydrophobicContact CD1-CD1 4.46Å; L120-I154 HydrophobicContact CD2-CD1 4.08Å; M128-I154 HydrophobicContact CE-CG2 3.96Å; D150-I154 WeakPolarHBondContact O-CG1 3.3Å; D150-I154 PolarHBondContact O-N 3.22Å; I151-I154 HydrophobicContact CD1-CD1 4.38Å; I151-I154 PolarHBondContact O-N 3.43Å; I154-V156 PolarHBondContact O-N 3.43Å; I154-A157 PolarHBondContact O-N 3.08Å; I154-T160 HydrophobicContact CG2-CG2 4.33Å; I154-T160 WeakPolarHBondContact O-CG2 3.38Å; I154-T160 PolarHBondContact O-OG1 3.24Å; I154-V164 HydrophobicContact CG2-CG1 3.85Å; I154-A168 HydrophobicContact CG2-CB 4.34Å |
| 155 | L | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.4 | -35.8 | -179.4 | 178.7 | 58.5 | 0 | 0 | 0 | 113.7 | I151 P152 R153 K165 A168 A169 L172 V192 L195 L210 | I151-L155 WeakPolarHBondContact O-CB 3.32Å; I151-L155 PolarHBondContact O-N 3Å; P152-L155 PolarHBondContact O-N 3.4Å; R153-L155 VanDerWaalsContact C-N 3.31Å; R153-L155 PolarHBondContact O-N 2.86Å; L155-K165 HydrophobicContact CD1-CB 4.24Å; L155-K165 VanDerWaalsContact CD1-O 3.32Å; L155-K165 WeakPolarHBondContact CD1-O 3.2Å; L155-A168 HydrophobicContact CB-CB 4.15Å; L155-A168 HydrophobicContact CD1-CB 4.35Å; L155-A169 HydrophobicContact CD1-CB 3.84Å; L155-A169 HydrophobicContact CD2-CB 4.13Å; L155-L172 HydrophobicContact CD2-CD2 4.19Å; L155-V192 HydrophobicContact CD2-CG2 3.61Å; L155-V192 HydrophobicContact CG-CG2 4.1Å; L155-L195 HydrophobicContact CD1-CD1 3.63Å; L155-L195 HydrophobicContact CD2-CD1 4.49Å; L155-L195 HydrophobicContact CG-CD1 3.94Å; L155-L210 HydrophobicContact CD2-CD2 3.7Å |
| 156 | V | 91 | Very high | 91.7 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 14% | 0.139 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 3.6 | -177.6 | -55.5 | 0 | 0 | 0 | 0 | 114.3 | P152 R153 I154 W188 R191 V192 | P152-V156 WeakPolarHBondContact O-CG2 3.42Å; P152-V156 PolarHBondContact O-N 3.32Å; P152-V156 VanDerWaalsContact O-N 3.17Å; R153-V156 PolarHBondContact O-N 3.03Å; I154-V156 PolarHBondContact O-N 3.43Å; V156-W188 HydrophobicContact CG1-CB 3.88Å; V156-W188 HydrophobicContact CG2-CB 4.41Å; V156-R191 HydrophobicContact CB-CB 3.94Å; V156-R191 HydrophobicContact CG1-CB 3.69Å; V156-V192 HydrophobicContact CG1-CG2 3.86Å |
| 157 | A | 89.2 | Confident | 91.9 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | trans | -79.5 | 120.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R153 I154 D159 T160 | R153-A157 WeakPolarHBondContact O-CB 3.39Å; R153-A157 PolarHBondContact O-N 3.39Å; R153-A157 VanDerWaalsContact O-N 3.16Å; I154-A157 PolarHBondContact O-N 3.08Å; A157-D159 VanDerWaalsContact C-N 3.27Å; A157-D159 PolarHBondContact O-N 3.33Å; A157-T160 HydrophobicContact CB-CG2 3.74Å; A157-T160 PolarHBondContact O-N 2.97Å; A157-T160 PolarHBondContact O-OG1 3.48Å | ||
| 158 | G | 82.9 | Confident | 92.1 | Very high | 79 Ų | 79 | 43.5 Ų | 43.5 | 81% | 0.814 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 159 | D | 86.1 | Confident | 92.4 | Very high | 127 Ų | 127 | 43.4 Ų | 43.4 | 68% | 0.679 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.2 | 176.1 | 65.1 | -34.1 | 0 | 0 | 0 | 113.5 | A157 | A157-D159 VanDerWaalsContact C-N 3.27Å; A157-D159 PolarHBondContact O-N 3.33Å |
| 160 | T | 90.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 12% | 0.117 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -79.4 | 139.6 | -179.9 | 63 | 0 | 0 | 0 | 0 | 112.6 | I154 A157 K165 | I154-T160 HydrophobicContact CG2-CG2 4.33Å; I154-T160 WeakPolarHBondContact O-CG2 3.38Å; I154-T160 PolarHBondContact O-OG1 3.24Å; A157-T160 HydrophobicContact CB-CG2 3.74Å; A157-T160 PolarHBondContact O-N 2.97Å; A157-T160 PolarHBondContact O-OG1 3.48Å; T160-K165 VanDerWaalsContact O-CE 3.23Å; T160-K165 WeakPolarHBondContact O-CE 3.39Å; T160-K165 WeakPolarHBondContact OG1-CG 3.45Å |
| 161 | M | 92.5 | Very high | 93 | Very high | 124 Ų | 124 | 41.8 Ų | 41.8 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | trans | -67.3 | 146.7 | 175.4 | -74.9 | -171.9 | 154.9 | 0 | 0 | 112 | A125 S163 V164 K165 | A125-M161 HydrophobicContact CB-CB 4.27Å; A125-M161 HydrophobicContact CB-CG 4.31Å; A125-M161 HydrophobicContact CB-SD 3.61Å; M161-S163 PolarHBondContact O-N 3.4Å; M161-S163 VanDerWaalsContact O-N 3.13Å; M161-V164 HydrophobicContact CB-CG2 4.31Å; M161-V164 WeakPolarHBondContact O-CA 2.86Å; M161-V164 WeakPolarHBondContact O-CB 3.46Å; M161-V164 PolarHBondContact O-N 2.91Å; M161-K165 PolarHBondContact O-N 3.34Å | ||
| 162 | D | 94.4 | Very high | 93.1 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.8 | -28.6 | -175.8 | -57.8 | -30.5 | 0 | 0 | 0 | 113.8 | V164 K165 Q166 H200 V203 | D162-V164 VanDerWaalsContact C-N 3.35Å; D162-K165 IonicContact OD1-NZ 3.75Å; D162-K165 PolarHBondContact OD1-NZ 3.46Å; D162-Q166 VanDerWaalsContact O-CG 3.32Å; D162-Q166 WeakPolarHBondContact O-CG 3.42Å; D162-Q166 PolarHBondContact O-N 2.84Å; D162-Q166 VanDerWaalsContact O-N 3.08Å; D162-Q166 PolarHBondContact O-NE2 3.32Å; D162-H200 HydrophobicContact CB-CB 4.19Å; D162-V203 HydrophobicContact CB-CG2 3.64Å |
| 163 | S | 94.6 | Very high | 93.2 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.7 | -35.7 | 172.1 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | N129 M161 S167 | N129-S163 PolarHBondContact ND2-OG 3.35Å; N129-S163 PolarHBondContact OD1-O 3.03Å; N129-S163 VanDerWaalsContact OD1-O 3.11Å; M161-S163 PolarHBondContact O-N 3.4Å; M161-S163 VanDerWaalsContact O-N 3.13Å; S163-S167 PolarHBondContact O-N 3.07Å; S163-S167 PolarHBondContact O-OG 2.99Å; S163-S167 VanDerWaalsContact O-OG 3.14Å |
| 164 | V | 95.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -43.3 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | A125 M128 L132 I154 M161 D162 Q166 S167 A168 | A125-V164 HydrophobicContact CB-CG2 3.65Å; M128-V164 HydrophobicContact CB-CG1 4.28Å; M128-V164 HydrophobicContact CB-CG2 4.38Å; M128-V164 HydrophobicContact CE-CG1 3.94Å; M128-V164 HydrophobicContact SD-CG1 4.47Å; L132-V164 HydrophobicContact CD1-CG1 3.81Å; I154-V164 HydrophobicContact CG2-CG1 3.85Å; M161-V164 HydrophobicContact CB-CG2 4.31Å; M161-V164 WeakPolarHBondContact O-CA 2.86Å; M161-V164 WeakPolarHBondContact O-CB 3.46Å; M161-V164 PolarHBondContact O-N 2.91Å; D162-V164 VanDerWaalsContact C-N 3.35Å; V164-Q166 VanDerWaalsContact C-N 3.32Å; V164-Q166 PolarHBondContact O-N 3.09Å; V164-S167 PolarHBondContact O-N 3.12Å; V164-A168 VanDerWaalsContact O-CB 3.25Å; V164-A168 WeakPolarHBondContact O-CB 3.5Å; V164-A168 PolarHBondContact O-N 2.99Å |
| 165 | K | 95.6 | Very high | 93.4 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.2 | -44.6 | 174.1 | -63 | 177.2 | -168 | 151.9 | 0 | 112 | L155 T160 M161 D162 A168 A169 L195 D198 V203 | L155-K165 HydrophobicContact CD1-CB 4.24Å; L155-K165 VanDerWaalsContact CD1-O 3.32Å; L155-K165 WeakPolarHBondContact CD1-O 3.2Å; T160-K165 VanDerWaalsContact O-CE 3.23Å; T160-K165 WeakPolarHBondContact O-CE 3.39Å; T160-K165 WeakPolarHBondContact OG1-CG 3.45Å; M161-K165 PolarHBondContact O-N 3.34Å; D162-K165 IonicContact OD1-NZ 3.75Å; D162-K165 PolarHBondContact OD1-NZ 3.46Å; K165-A168 PolarHBondContact O-N 3.14Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.27Å; K165-L195 HydrophobicContact CD-CD2 4.47Å; K165-D198 IonicContact NZ-OD2 2.66Å; K165-V203 HydrophobicContact CB-CG1 4.29Å; K165-V203 HydrophobicContact CB-CG2 4.28Å; K165-V203 HydrophobicContact CD-CG1 4.29Å; K165-V203 HydrophobicContact CD-CG2 4.42Å |
| 166 | Q | 96.5 | Very high | 93.3 | Very high | 52 Ų | 52 | 38.5 Ų | 38.5 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -51.4 | 175.7 | -78.2 | 166.1 | 86.8 | 0 | 0 | 112.3 | D162 V164 L170 H200 G202 V203 A206 | D162-Q166 VanDerWaalsContact O-CG 3.32Å; D162-Q166 WeakPolarHBondContact O-CG 3.42Å; D162-Q166 PolarHBondContact O-N 2.84Å; D162-Q166 VanDerWaalsContact O-N 3.08Å; D162-Q166 PolarHBondContact O-NE2 3.32Å; V164-Q166 VanDerWaalsContact C-N 3.32Å; V164-Q166 PolarHBondContact O-N 3.09Å; Q166-L170 PolarHBondContact O-N 3.13Å; Q166-H200 PolarHBondContact NE2-CE1 3.18Å; Q166-H200 PolarHBondContact NE2-ND1 3.23Å; Q166-G202 VanDerWaalsContact CG-C 3.49Å; Q166-G202 WeakPolarHBondContact CG-O 3.47Å; Q166-V203 HydrophobicContact CG-CG2 4.09Å; Q166-A206 HydrophobicContact CB-CB 4.29Å; Q166-A206 HydrophobicContact CG-CB 4.21Å |
| 167 | S | 96.3 | Very high | 93.4 | Very high | 14 Ų | 14 | 45 Ų | 45 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | N129 H133 S163 V164 C171 | N129-S167 WeakPolarHBondContact OD1-CB 3.19Å; N129-S167 PolarHBondContact OD1-OG 2.77Å; H133-S167 PolarHBondContact NE2-OG 3.38Å; S163-S167 PolarHBondContact O-N 3.07Å; S163-S167 PolarHBondContact O-OG 2.99Å; S163-S167 VanDerWaalsContact O-OG 3.14Å; V164-S167 PolarHBondContact O-N 3.12Å; S167-C171 WeakPolarHBondContact O-CB 3.23Å; S167-C171 PolarHBondContact O-N 2.93Å |
| 168 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.4 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L132 I151 I154 L155 V164 K165 L170 C171 L172 | L132-A168 HydrophobicContact CD1-CB 4.09Å; L132-A168 HydrophobicContact CD2-CB 4.41Å; I151-A168 HydrophobicContact CG2-CB 4.09Å; I151-A168 WeakPolarHBondContact CG2-O 3.22Å; I154-A168 HydrophobicContact CG2-CB 4.34Å; L155-A168 HydrophobicContact CB-CB 4.15Å; L155-A168 HydrophobicContact CD1-CB 4.35Å; V164-A168 VanDerWaalsContact O-CB 3.25Å; V164-A168 WeakPolarHBondContact O-CB 3.5Å; V164-A168 PolarHBondContact O-N 2.99Å; K165-A168 PolarHBondContact O-N 3.14Å; A168-L170 PolarHBondContact O-N 3.06Å; A168-C171 PolarHBondContact O-N 2.9Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 PolarHBondContact O-N 3.41Å |
| 169 | A | 96.4 | Very high | 93.8 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L155 K165 L173 A206 L210 | L155-A169 HydrophobicContact CD1-CB 3.84Å; L155-A169 HydrophobicContact CD2-CB 4.13Å; K165-A169 WeakPolarHBondContact O-CB 3.48Å; K165-A169 PolarHBondContact O-N 3.27Å; A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 PolarHBondContact O-N 3.48Å; A169-A206 HydrophobicContact CB-CB 4Å; A169-L210 HydrophobicContact CB-CD2 4.32Å |
| 170 | L | 97.1 | Very high | 94 | Very high | 81 Ų | 81 | 39.7 Ų | 39.7 | 42% | 0.424 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.1 | -32.3 | 177.9 | -63.1 | 178.5 | 0 | 0 | 0 | 112.6 | Q166 A168 L173 R174 A206 | Q166-L170 PolarHBondContact O-N 3.13Å; A168-L170 PolarHBondContact O-N 3.06Å; L170-L173 HydrophobicContact CD2-CD2 4.2Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 2.95Å; L170-R174 PolarHBondContact O-N 3.07Å; L170-A206 HydrophobicContact CD2-CB 4.42Å; L170-A206 HydrophobicContact CG-CB 4.17Å |
| 171 | C | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -49 | 171.3 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L132 I135 A136 I151 S167 A168 L173 R174 L175 | L132-C171 HydrophobicContact CD2-CB 4.25Å; I135-C171 VanDerWaalsContact CG2-SG 3.5Å; A136-C171 HydrophobicContact CB-CB 4.27Å; I151-C171 HydrophobicContact CG2-CB 4.29Å; S167-C171 WeakPolarHBondContact O-CB 3.23Å; S167-C171 PolarHBondContact O-N 2.93Å; A168-C171 PolarHBondContact O-N 2.9Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 PolarHBondContact O-N 3.26Å; C171-R174 WeakPolarHBondContact O-CB 3.35Å; C171-R174 PolarHBondContact O-N 3.26Å; C171-R174 VanDerWaalsContact O-N 3.08Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 2.89Å |
| 172 | L | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 175.8 | -175.4 | 56.9 | 0 | 0 | 0 | 112.1 | I151 P152 L155 A168 R174 L175 N176 V183 W188 L210 | I151-L172 HydrophobicContact CG2-CB 4Å; P152-L172 HydrophobicContact CB-CD2 4.18Å; P152-L172 HydrophobicContact CG-CD1 3.84Å; P152-L172 HydrophobicContact CG-CD2 3.88Å; L155-L172 HydrophobicContact CD2-CD2 4.19Å; A168-L172 WeakPolarHBondContact O-CB 3.4Å; A168-L172 PolarHBondContact O-N 3.41Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.11Å; L172-L175 PolarHBondContact O-N 2.8Å; L172-N176 PolarHBondContact O-N 3.41Å; L172-V183 HydrophobicContact CD1-CG1 3.82Å; L172-V183 HydrophobicContact CD1-CG2 4.19Å; L172-W188 HydrophobicContact CD2-CH2 4.16Å; L172-W188 HydrophobicContact CD2-CZ3 4.19Å; L172-L210 HydrophobicContact CB-CD1 4.37Å; L172-L210 HydrophobicContact CD2-CD1 4.44Å; L172-L210 HydrophobicContact CD2-CD2 4.02Å; L172-L210 HydrophobicContact CG-CD1 4.18Å |
| 173 | L | 95.1 | Very high | 93.4 | Very high | 12 Ų | 12 | 37.6 Ų | 37.6 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 172.8 | 173 | 59.6 | 0 | 0 | 0 | 112.1 | A169 L170 C171 R177 L210 T213 | A169-L173 WeakPolarHBondContact O-CB 3.35Å; A169-L173 PolarHBondContact O-N 3.48Å; L170-L173 HydrophobicContact CD2-CD2 4.2Å; L170-L173 WeakPolarHBondContact O-CB 3.49Å; L170-L173 PolarHBondContact O-N 2.95Å; C171-L173 VanDerWaalsContact C-N 3.3Å; C171-L173 PolarHBondContact O-N 3.26Å; L173-R177 HydrophobicContact CD1-CG 4.46Å; L173-R177 WeakPolarHBondContact O-CG 3.35Å; L173-R177 PolarHBondContact O-N 2.86Å; L173-R177 VanDerWaalsContact O-N 3.13Å; L173-L210 HydrophobicContact CB-CD1 3.94Å; L173-T213 VanDerWaalsContact CD1-CB 3.42Å; L173-T213 HydrophobicContact CD1-CG2 3.65Å; L173-T213 VanDerWaalsContact CD1-OG1 3.23Å; L173-T213 WeakPolarHBondContact CD1-OG1 3.28Å |
| 174 | R | 94.6 | Very high | 92.7 | Very high | 103 Ų | 103 | 39.2 Ų | 39.2 | 39% | 0.389 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63 | -47.1 | 174 | 176 | 67.2 | 162.5 | 150.2 | -0.9 | 111.2 | A136 L170 C171 L172 N176 R177 T178 | A136-R174 WeakPolarHBondContact O-CG 3.48Å; A136-R174 PolarHBondContact O-NE 2.8Å; L170-R174 PolarHBondContact O-N 3.07Å; C171-R174 WeakPolarHBondContact O-CB 3.35Å; C171-R174 PolarHBondContact O-N 3.26Å; C171-R174 VanDerWaalsContact O-N 3.08Å; L172-R174 VanDerWaalsContact C-N 3.34Å; L172-R174 PolarHBondContact O-N 3.11Å; R174-N176 PolarHBondContact O-N 2.59Å; R174-R177 PolarHBondContact O-N 2.84Å; R174-R177 VanDerWaalsContact O-N 3.11Å; R174-T178 PolarHBondContact O-N 2.87Å; R174-T178 PolarHBondContact O-OG1 2.89Å |
| 175 | L | 92.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 179.5 | -66.4 | -179.1 | 0 | 0 | 0 | 111.4 | I135 A144 A148 I151 C171 L172 R177 T178 S179 V183 | I135-L175 HydrophobicContact CG2-CD1 4.29Å; I135-L175 HydrophobicContact CG2-CD2 3.87Å; I135-L175 HydrophobicContact CG2-CG 4.31Å; A144-L175 HydrophobicContact CB-CD2 3.88Å; A148-L175 HydrophobicContact CB-CD1 4.37Å; I151-L175 HydrophobicContact CG1-CD1 4.03Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 2.89Å; L172-L175 PolarHBondContact O-N 2.8Å; L175-R177 VanDerWaalsContact C-N 3.27Å; L175-R177 PolarHBondContact O-N 3.18Å; L175-T178 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact O-N 3.08Å; L175-S179 CarbonylContact O-C 3.53Å; L175-S179 PolarHBondContact O-N 3.43Å; L175-V183 HydrophobicContact CB-CG2 4.33Å |
| 176 | N | 91.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -30.7 | 174.9 | 171 | 46.1 | 0 | 0 | 0 | 113.4 | L172 R174 P180 V183 L214 K217 | L172-N176 PolarHBondContact O-N 3.41Å; R174-N176 PolarHBondContact O-N 2.59Å; N176-P180 WeakPolarHBondContact O-CB 3.44Å; N176-V183 HydrophobicContact CB-CG2 4.24Å; N176-L214 VanDerWaalsContact ND2-CD2 3.34Å; N176-L214 WeakPolarHBondContact ND2-CD2 3.44Å; N176-K217 PolarHBondContact OD1-NZ 3.26Å |
| 177 | R | 92.7 | Very high | 90 | Very high | 159 Ų | 159 | 48.6 Ų | 48.6 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -75.8 | -25.8 | 174.8 | -74.2 | 177.2 | -179.8 | 178.8 | 2.8 | 113.5 | L173 R174 L175 T213 | L173-R177 HydrophobicContact CD1-CG 4.46Å; L173-R177 WeakPolarHBondContact O-CG 3.35Å; L173-R177 PolarHBondContact O-N 2.86Å; L173-R177 VanDerWaalsContact O-N 3.13Å; R174-R177 PolarHBondContact O-N 2.84Å; R174-R177 VanDerWaalsContact O-N 3.11Å; L175-R177 VanDerWaalsContact C-N 3.27Å; L175-R177 PolarHBondContact O-N 3.18Å; R177-T213 HydrophobicContact CG-CG2 4.34Å; R177-T213 PolarHBondContact NH2-OG1 3.23Å |
| 178 | T | 91.1 | Very high | 89.7 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 33% | 0.331 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -98.4 | -34.6 | -176.9 | -57 | 0 | 0 | 0 | 0 | 113.4 | G139 R174 L175 | G139-T178 WeakPolarHBondContact O-CG2 3.26Å; R174-T178 PolarHBondContact O-N 2.87Å; R174-T178 PolarHBondContact O-OG1 2.89Å; L175-T178 PolarHBondContact O-N 2.84Å; L175-T178 VanDerWaalsContact O-N 3.08Å |
| 179 | S | 89.4 | Confident | 89.4 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -149.2 | 74.8 | -177.8 | -73.3 | 0 | 0 | 0 | 0 | 109.2 | R141 L175 D181 L182 | R141-S179 WeakPolarHBondContact CD-OG 3.48Å; R141-S179 VanDerWaalsContact NH1-CB 3.28Å; R141-S179 PolarHBondContact NH1-OG 3.49Å; L175-S179 CarbonylContact O-C 3.53Å; L175-S179 PolarHBondContact O-N 3.43Å; S179-D181 WeakPolarHBondContact CA-OD1 3.47Å; S179-D181 PolarHBondContact O-N 3.06Å; S179-L182 PolarHBondContact O-N 2.79Å | ||
| 180 | P | 88.9 | Confident | 89.2 | Confident | 60 Ų | 60 | 53.1 Ų | 53.1 | 39% | 0.39 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -65.1 | -25.3 | -176.1 | 26.8 | -35.2 | 0 | 0 | 0 | 113.5 | N176 L182 V183 | N176-P180 WeakPolarHBondContact O-CB 3.44Å; P180-L182 PolarHBondContact O-N 3.06Å; P180-V183 PolarHBondContact O-N 3.5Å |
| 181 | D | 90.1 | Very high | 88.9 | Confident | 106 Ų | 106 | 55 Ų | 55 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.6 | 176.1 | 59.4 | -53.6 | 0 | 0 | 0 | 113.3 | R141 S179 | R141-D181 IonicContact CZ-OD1 3.14Å; R141-D181 IonicContact CZ-OD2 2.67Å; R141-D181 VanDerWaalsContact CZ-OD2 3.23Å; R141-D181 VanDerWaalsContact NH1-CG 3.28Å; R141-D181 IonicContact NH1-OD1 2.91Å; R141-D181 PolarHBondContact NH1-OD1 2.88Å; R141-D181 IonicContact NH1-OD2 2.78Å; R141-D181 PolarHBondContact NH1-OD2 3.44Å; R141-D181 IonicContact NH2-OD2 3.12Å; R141-D181 PolarHBondContact NH2-OD2 3.45Å; S179-D181 WeakPolarHBondContact CA-OD1 3.47Å; S179-D181 PolarHBondContact O-N 3.06Å |
| 182 | L | 88.2 | Confident | 88.8 | Confident | 44 Ų | 44 | 55 Ų | 55 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -91.2 | -4.3 | -179.7 | -63.7 | 179 | 0 | 0 | 0 | 114.1 | A144 E145 A148 S179 P180 P184 | A144-L182 HydrophobicContact CB-CD1 3.64Å; E145-L182 HydrophobicContact CB-CD1 4.38Å; E145-L182 HydrophobicContact CG-CD1 3.49Å; E145-L182 VanDerWaalsContact CG-CD1 3.49Å; E145-L182 HydrophobicContact CG-CD2 4.22Å; A148-L182 HydrophobicContact CB-CB 4.13Å; A148-L182 WeakPolarHBondContact CB-O 3.43Å; S179-L182 PolarHBondContact O-N 2.79Å; P180-L182 PolarHBondContact O-N 3.06Å; L182-P184 WeakPolarHBondContact O-CD 3.16Å |
| 183 | V | 86.1 | Confident | 88.8 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -109.1 | 87.8 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 109 | A148 L172 L175 N176 P180 M185 W188 | A148-V183 HydrophobicContact CB-CG2 4.45Å; L172-V183 HydrophobicContact CD1-CG1 3.82Å; L172-V183 HydrophobicContact CD1-CG2 4.19Å; L175-V183 HydrophobicContact CB-CG2 4.33Å; N176-V183 HydrophobicContact CB-CG2 4.24Å; P180-V183 PolarHBondContact O-N 3.5Å; V183-M185 HydrophobicContact CG1-CE 4.08Å; V183-M185 WeakPolarHBondContact O-CE 3.35Å; V183-W188 HydrophobicContact CG1-CH2 4.49Å; V183-W188 HydrophobicContact CG1-CZ2 4.09Å |
| 184 | P | 80.9 | Confident | 88.8 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | trans | -70.4 | 134 | 177.9 | 28.8 | -34.8 | 0 | 0 | 0 | 111 | L182 W188 | L182-P184 WeakPolarHBondContact O-CD 3.16Å; P184-W188 WeakPolarHBondContact O-CZ2 3.49Å; P184-W188 PolarHBondContact O-NE1 3.33Å | ||
| 185 | M | 79 | Confident | 88.8 | Confident | 64 Ų | 64 | 56.4 Ų | 56.4 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | trans | -68.4 | 143.9 | 165 | -57.8 | -53.7 | 110.9 | 0 | 0 | 109 | V183 W188 L214 F222 | V183-M185 HydrophobicContact CG1-CE 4.08Å; V183-M185 WeakPolarHBondContact O-CE 3.35Å; M185-W188 HydrophobicContact CE-CH2 4.4Å; M185-W188 HydrophobicContact CE-CZ2 4.27Å; M185-W188 HydrophobicContact SD-CH2 4.3Å; M185-W188 HydrophobicContact SD-CZ2 4.37Å; M185-L214 HydrophobicContact CE-CD2 3.8Å; M185-L214 HydrophobicContact SD-CD2 4.17Å; M185-F222 HydrophobicContact SD-CE2 4.29Å | ||
| 186 | G | 73.9 | Confident | 89 | Confident | 41 Ų | 41 | 56.4 Ų | 56.4 | 42% | 0.423 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 174.7 | -153.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | W188 T189 | G186-W188 PolarHBondContact O-N 2.83Å; G186-T189 VanDerWaalsContact O-CB 3.32Å; G186-T189 WeakPolarHBondContact O-CB 3.46Å; G186-T189 PolarHBondContact O-N 2.78Å; G186-T189 PolarHBondContact O-OG1 3.05Å; G186-T189 VanDerWaalsContact O-OG1 3.08Å |
| 187 | E | 78.5 | Confident | 89.1 | Confident | 172 Ų | 172 | 59 Ų | 59 | 80% | 0.804 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -12.3 | -170.7 | -57.7 | -177.4 | 167.9 | 0 | 0 | 116.7 | R191 | E187-R191 PolarHBondContact O-NE 2.87Å; E187-R191 PolarHBondContact O-NH2 2.85Å |
| 188 | W | 89.3 | Confident | 89.2 | Confident | 25 Ų | 25 | 52.8 Ų | 52.8 | 10% | 0.095 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -20.2 | 176.9 | 58.7 | -95.7 | 0 | 0 | 0 | 112.6 | P152 V156 L172 V183 P184 M185 G186 A190 R191 V192 L214 | P152-W188 HydrophobicContact CB-CB 4.32Å; P152-W188 HydrophobicContact CB-CD2 3.94Å; P152-W188 HydrophobicContact CB-CG 3.78Å; V156-W188 HydrophobicContact CG1-CB 3.88Å; V156-W188 HydrophobicContact CG2-CB 4.41Å; L172-W188 HydrophobicContact CD2-CH2 4.16Å; L172-W188 HydrophobicContact CD2-CZ3 4.19Å; V183-W188 HydrophobicContact CG1-CH2 4.49Å; V183-W188 HydrophobicContact CG1-CZ2 4.09Å; P184-W188 WeakPolarHBondContact O-CZ2 3.49Å; P184-W188 PolarHBondContact O-NE1 3.33Å; M185-W188 HydrophobicContact CE-CH2 4.4Å; M185-W188 HydrophobicContact CE-CZ2 4.27Å; M185-W188 HydrophobicContact SD-CH2 4.3Å; M185-W188 HydrophobicContact SD-CZ2 4.37Å; G186-W188 PolarHBondContact O-N 2.83Å; W188-A190 PolarHBondContact O-N 3.16Å; W188-R191 PolarHBondContact O-N 2.83Å; W188-V192 HydrophobicContact CE3-CB 4.22Å; W188-V192 HydrophobicContact CE3-CG2 3.63Å; W188-V192 HydrophobicContact CZ3-CB 4.48Å; W188-V192 HydrophobicContact CZ3-CG2 4.12Å; W188-V192 PolarHBondContact O-N 3.24Å; W188-L214 HydrophobicContact CH2-CD1 3.77Å; W188-L214 HydrophobicContact CZ3-CD1 3.97Å |
| 189 | T | 90.7 | Very high | 89.2 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.3 | -56.7 | -177.8 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | G186 R191 V192 V193 D221 F222 | G186-T189 VanDerWaalsContact O-CB 3.32Å; G186-T189 WeakPolarHBondContact O-CB 3.46Å; G186-T189 PolarHBondContact O-N 2.78Å; G186-T189 PolarHBondContact O-OG1 3.05Å; G186-T189 VanDerWaalsContact O-OG1 3.08Å; T189-R191 VanDerWaalsContact C-N 3.28Å; T189-R191 PolarHBondContact O-N 3.11Å; T189-V192 PolarHBondContact O-N 2.96Å; T189-V192 VanDerWaalsContact O-N 3.11Å; T189-V193 PolarHBondContact O-N 3.41Å; T189-D221 HydrophobicContact CG2-CB 4.07Å; T189-D221 WeakPolarHBondContact CG2-O 3.26Å; T189-F222 HydrophobicContact CG2-CD1 4.22Å; T189-F222 HydrophobicContact CG2-CD2 4.5Å; T189-F222 HydrophobicContact CG2-CE1 3.83Å; T189-F222 HydrophobicContact CG2-CE2 4.11Å; T189-F222 HydrophobicContact CG2-CZ 3.75Å |
| 190 | A | 91 | Very high | 89.4 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.9 | -35 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | W188 V193 H194 | W188-A190 PolarHBondContact O-N 3.16Å; A190-V193 PolarHBondContact O-N 3.43Å; A190-H194 PolarHBondContact O-N 3.13Å |
| 191 | R | 92.3 | Very high | 89.7 | Confident | 119 Ų | 119 | 59.7 Ų | 59.7 | 45% | 0.449 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.6 | -36.7 | 175.7 | -74.5 | -176.9 | -76.1 | 177.3 | -10.7 | 112.1 | V156 E187 W188 T189 H194 L195 | V156-R191 HydrophobicContact CB-CB 3.94Å; V156-R191 HydrophobicContact CG1-CB 3.69Å; E187-R191 PolarHBondContact O-NE 2.87Å; E187-R191 PolarHBondContact O-NH2 2.85Å; W188-R191 PolarHBondContact O-N 2.83Å; T189-R191 VanDerWaalsContact C-N 3.28Å; T189-R191 PolarHBondContact O-N 3.11Å; R191-H194 WeakPolarHBondContact O-CB 3.35Å; R191-H194 PolarHBondContact O-N 3.04Å; R191-L195 PolarHBondContact O-N 3.35Å |
| 192 | V | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.5 | -39 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 111.5 | L155 V156 W188 T189 H194 L195 L210 I211 | L155-V192 HydrophobicContact CD2-CG2 3.61Å; L155-V192 HydrophobicContact CG-CG2 4.1Å; V156-V192 HydrophobicContact CG1-CG2 3.86Å; W188-V192 HydrophobicContact CE3-CB 4.22Å; W188-V192 HydrophobicContact CE3-CG2 3.63Å; W188-V192 HydrophobicContact CZ3-CB 4.48Å; W188-V192 HydrophobicContact CZ3-CG2 4.12Å; W188-V192 PolarHBondContact O-N 3.24Å; T189-V192 PolarHBondContact O-N 2.96Å; T189-V192 VanDerWaalsContact O-N 3.11Å; V192-H194 VanDerWaalsContact C-N 3.3Å; V192-H194 PolarHBondContact O-N 3.05Å; V192-L195 HydrophobicContact CG2-CD1 4.41Å; V192-L195 VanDerWaalsContact O-CB 3.29Å; V192-L195 WeakPolarHBondContact O-CB 3.42Å; V192-L195 PolarHBondContact O-N 3.27Å; V192-L195 VanDerWaalsContact O-N 3.14Å; V192-L210 HydrophobicContact CG1-CD2 3.93Å; V192-I211 HydrophobicContact CG1-CD1 4.25Å; V192-I211 HydrophobicContact CG1-CG1 3.94Å |
| 193 | V | 94.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 170.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | T189 A190 L195 L196 F222 L228 | T189-V193 PolarHBondContact O-N 3.41Å; A190-V193 PolarHBondContact O-N 3.43Å; V193-L195 PolarHBondContact O-N 2.79Å; V193-L196 WeakPolarHBondContact O-CB 3.36Å; V193-L196 WeakPolarHBondContact O-CG 3.4Å; V193-L196 PolarHBondContact O-N 3.23Å; V193-F222 HydrophobicContact CG2-CD1 3.63Å; V193-F222 HydrophobicContact CG2-CE1 4.25Å; V193-L228 HydrophobicContact CG1-CD1 3.9Å |
| 194 | H | 94.8 | Very high | 90.8 | Very high | 126 Ų | 126 | 52.5 Ų | 52.5 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.4 | -22.7 | 176.1 | -167.4 | 88 | 0 | 0 | 0 | 113.6 | A190 R191 V192 L196 N197 | A190-H194 PolarHBondContact O-N 3.13Å; R191-H194 WeakPolarHBondContact O-CB 3.35Å; R191-H194 PolarHBondContact O-N 3.04Å; V192-H194 VanDerWaalsContact C-N 3.3Å; V192-H194 PolarHBondContact O-N 3.05Å; H194-L196 PolarHBondContact O-N 3.25Å; H194-L196 VanDerWaalsContact O-N 3.15Å; H194-N197 WeakPolarHBondContact O-CA 3.4Å; H194-N197 WeakPolarHBondContact O-CB 3.43Å; H194-N197 PolarHBondContact O-N 2.96Å |
| 195 | L | 95.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 50 Ų | 50 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -62.7 | -17.7 | 173 | -61.8 | 175.6 | 0 | 0 | 0 | 113.2 | L155 K165 R191 V192 V193 N197 D198 V203 A207 | L155-L195 HydrophobicContact CD1-CD1 3.63Å; L155-L195 HydrophobicContact CD2-CD1 4.49Å; L155-L195 HydrophobicContact CG-CD1 3.94Å; K165-L195 HydrophobicContact CD-CD2 4.47Å; R191-L195 PolarHBondContact O-N 3.35Å; V192-L195 HydrophobicContact CG2-CD1 4.41Å; V192-L195 VanDerWaalsContact O-CB 3.29Å; V192-L195 WeakPolarHBondContact O-CB 3.42Å; V192-L195 PolarHBondContact O-N 3.27Å; V192-L195 VanDerWaalsContact O-N 3.14Å; V193-L195 PolarHBondContact O-N 2.79Å; L195-N197 PolarHBondContact O-N 3.27Å; L195-D198 WeakPolarHBondContact O-CB 3.43Å; L195-D198 PolarHBondContact O-N 2.97Å; L195-V203 HydrophobicContact CB-CG1 4.24Å; L195-V203 HydrophobicContact CD2-CG1 4.13Å; L195-A207 HydrophobicContact CB-CB 3.76Å; L195-A207 HydrophobicContact CD1-CB 4.3Å |
| 196 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.6 | -19.6 | 168.8 | -64.1 | 178.9 | 0 | 0 | 0 | 112.6 | V193 H194 V204 T208 I211 L228 R232 L264 | V193-L196 WeakPolarHBondContact O-CB 3.36Å; V193-L196 WeakPolarHBondContact O-CG 3.4Å; V193-L196 PolarHBondContact O-N 3.23Å; H194-L196 PolarHBondContact O-N 3.25Å; H194-L196 VanDerWaalsContact O-N 3.15Å; L196-V204 HydrophobicContact CD2-CG1 4.07Å; L196-T208 VanDerWaalsContact CD2-OG1 3.29Å; L196-T208 WeakPolarHBondContact CD2-OG1 3.18Å; L196-I211 HydrophobicContact CD1-CD1 3.97Å; L196-I211 HydrophobicContact CD2-CD1 4.06Å; L196-I211 HydrophobicContact CG-CD1 3.86Å; L196-L228 HydrophobicContact CB-CB 4.13Å; L196-L228 HydrophobicContact CB-CD1 4.35Å; L196-L228 HydrophobicContact CD1-CB 4.23Å; L196-R232 WeakPolarHBondContact O-CD 3.32Å; L196-R232 WeakPolarHBondContact O-CG 3.4Å; L196-R232 PolarHBondContact O-NE 2.73Å; L196-L264 HydrophobicContact CD1-CD2 4.35Å |
| 197 | N | 95.1 | Very high | 93.6 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -93.4 | 1.3 | 175.9 | -88.6 | -34.5 | 0 | 0 | 0 | 115.4 | H194 L195 L228 R232 | H194-N197 WeakPolarHBondContact O-CA 3.4Å; H194-N197 WeakPolarHBondContact O-CB 3.43Å; H194-N197 PolarHBondContact O-N 2.96Å; L195-N197 PolarHBondContact O-N 3.27Å; N197-L228 WeakPolarHBondContact ND2-CD2 3.19Å; N197-R232 VanDerWaalsContact C-NH2 3.27Å; N197-R232 PolarHBondContact O-NH2 2.86Å; N197-R232 PolarHBondContact OD1-NE 3.43Å; N197-R232 PolarHBondContact OD1-NH2 3.08Å |
| 198 | D | 94.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 19% | 0.189 | C | C | . | . | trans | -57.6 | 156.5 | 178.3 | -157.2 | -64.8 | 0 | 0 | 0 | 112 | K165 L195 H200 V203 V204 R232 | K165-D198 IonicContact NZ-OD2 2.66Å; L195-D198 WeakPolarHBondContact O-CB 3.43Å; L195-D198 PolarHBondContact O-N 2.97Å; D198-H200 PolarHBondContact OD1-N 3.21Å; D198-V203 HydrophobicContact CB-CB 4.19Å; D198-V203 HydrophobicContact CB-CG1 4.08Å; D198-V204 HydrophobicContact CB-CG2 4.27Å; D198-R232 PolarHBondContact O-NH1 3.35Å | ||
| 199 | Q | 91.8 | Very high | 94.9 | Very high | 188 Ų | 188 | 37.1 Ų | 37.1 | 88% | 0.879 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -78.4 | -35.4 | 174.8 | -175.1 | 176.5 | 3.1 | 0 | 0 | 110.9 | L201 | Q199-L201 PolarHBondContact O-N 2.95Š|
| 200 | H | 94.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 29% | 0.292 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -81.6 | 103.8 | -178.6 | -171.2 | -88.3 | 0 | 0 | 0 | 110.5 | D162 Q166 D198 G202 V203 V204 Y247 | D162-H200 HydrophobicContact CB-CB 4.19Å; Q166-H200 PolarHBondContact NE2-CE1 3.18Å; Q166-H200 PolarHBondContact NE2-ND1 3.23Å; D198-H200 PolarHBondContact OD1-N 3.21Å; H200-G202 PolarHBondContact ND1-N 3.25Å; H200-G202 PolarHBondContact O-N 2.91Å; H200-V203 HydrophobicContact CB-CG2 4.06Å; H200-V203 PolarHBondContact ND1-N 3.5Å; H200-V203 WeakPolarHBondContact O-CB 3.34Å; H200-V203 PolarHBondContact O-N 3.22Å; H200-V204 PolarHBondContact O-N 3.03Å; H200-Y247 PolarHBondContact CE1-OH 3.46Å; H200-Y247 PolarHBondContact NE2-OH 3.02Å; H200-Y247 VanDerWaalsContact NE2-OH 3.12Å |
| 201 | L | 93.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 33 Ų | 33 | 8% | 0.079 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -22.3 | -175.7 | -63.9 | -173 | 0 | 0 | 0 | 114.3 | Q199 V204 T205 L244 Y247 A254 L257 | Q199-L201 PolarHBondContact O-N 2.95Å; L201-V204 HydrophobicContact CD2-CG2 4.42Å; L201-V204 PolarHBondContact O-N 3.35Å; L201-T205 VanDerWaalsContact O-CB 3.29Å; L201-T205 WeakPolarHBondContact O-CB 3.23Å; L201-T205 PolarHBondContact O-N 3.15Å; L201-T205 PolarHBondContact O-OG1 2.67Å; L201-L244 HydrophobicContact CD1-CD1 4.28Å; L201-L244 HydrophobicContact CD1-CD2 3.92Å; L201-Y247 HydrophobicContact CB-CD1 3.81Å; L201-Y247 HydrophobicContact CB-CD2 4.04Å; L201-Y247 HydrophobicContact CB-CE1 3.71Å; L201-Y247 HydrophobicContact CB-CE2 3.98Å; L201-Y247 HydrophobicContact CB-CG 3.98Å; L201-Y247 HydrophobicContact CD1-CD1 4.36Å; L201-Y247 HydrophobicContact CD1-CD2 4.06Å; L201-Y247 HydrophobicContact CD1-CG 3.86Å; L201-Y247 HydrophobicContact CG-CD2 4.34Å; L201-Y247 HydrophobicContact CG-CG 4.42Å; L201-A254 HydrophobicContact CD1-CB 4.24Å; L201-L257 HydrophobicContact CB-CD2 4.14Å; L201-L257 HydrophobicContact CD1-CD2 4.38Å; L201-L257 HydrophobicContact CD2-CD2 3.9Å; L201-L257 HydrophobicContact CG-CD2 4.37Å |
| 202 | G | 95.1 | Very high | 95.7 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 7% | 0.072 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q166 H200 T205 A206 Y247 | Q166-G202 VanDerWaalsContact CG-C 3.49Å; Q166-G202 WeakPolarHBondContact CG-O 3.47Å; H200-G202 PolarHBondContact ND1-N 3.25Å; H200-G202 PolarHBondContact O-N 2.91Å; G202-T205 WeakPolarHBondContact O-CB 3.39Å; G202-T205 PolarHBondContact O-N 3.29Å; G202-A206 PolarHBondContact O-N 2.9Å; G202-Y247 PolarHBondContact N-OH 3.01Å |
| 203 | V | 96.3 | Very high | 95.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.1 | -48 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | D162 K165 Q166 L195 D198 H200 T205 A206 A207 | D162-V203 HydrophobicContact CB-CG2 3.64Å; K165-V203 HydrophobicContact CB-CG1 4.29Å; K165-V203 HydrophobicContact CB-CG2 4.28Å; K165-V203 HydrophobicContact CD-CG1 4.29Å; K165-V203 HydrophobicContact CD-CG2 4.42Å; Q166-V203 HydrophobicContact CG-CG2 4.09Å; L195-V203 HydrophobicContact CB-CG1 4.24Å; L195-V203 HydrophobicContact CD2-CG1 4.13Å; D198-V203 HydrophobicContact CB-CB 4.19Å; D198-V203 HydrophobicContact CB-CG1 4.08Å; H200-V203 HydrophobicContact CB-CG2 4.06Å; H200-V203 PolarHBondContact ND1-N 3.5Å; H200-V203 WeakPolarHBondContact O-CB 3.34Å; H200-V203 PolarHBondContact O-N 3.22Å; V203-T205 VanDerWaalsContact C-N 3.31Å; V203-T205 PolarHBondContact O-N 2.93Å; V203-A206 PolarHBondContact O-N 2.97Å; V203-A206 VanDerWaalsContact O-N 3.17Å; V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.18Å |
| 204 | V | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.1 | -49.3 | 172.5 | -172.3 | 0 | 0 | 0 | 0 | 110.1 | L196 D198 H200 L201 A206 A207 T208 L257 | L196-V204 HydrophobicContact CD2-CG1 4.07Å; D198-V204 HydrophobicContact CB-CG2 4.27Å; H200-V204 PolarHBondContact O-N 3.03Å; L201-V204 HydrophobicContact CD2-CG2 4.42Å; L201-V204 PolarHBondContact O-N 3.35Å; V204-A206 VanDerWaalsContact C-N 3.27Å; V204-A206 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 2.9Å; V204-T208 WeakPolarHBondContact O-CB 3.43Å; V204-T208 PolarHBondContact O-N 3.04Å; V204-T208 PolarHBondContact O-OG1 3.28Å; V204-L257 HydrophobicContact CB-CD1 4.3Å; V204-L257 HydrophobicContact CB-CD2 4.36Å; V204-L257 HydrophobicContact CG1-CD1 3.72Å; V204-L257 HydrophobicContact CG1-CD2 4.15Å |
| 205 | T | 97.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 23 Ų | 23 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.2 | -31.7 | -179.3 | -61.6 | 0 | 0 | 0 | 0 | 113.5 | L201 G202 V203 K260 | L201-T205 VanDerWaalsContact O-CB 3.29Å; L201-T205 WeakPolarHBondContact O-CB 3.23Å; L201-T205 PolarHBondContact O-N 3.15Å; L201-T205 PolarHBondContact O-OG1 2.67Å; G202-T205 WeakPolarHBondContact O-CB 3.39Å; G202-T205 PolarHBondContact O-N 3.29Å; V203-T205 VanDerWaalsContact C-N 3.31Å; V203-T205 PolarHBondContact O-N 2.93Å; T205-K260 HydrophobicContact CG2-CD 4.02Å; T205-K260 WeakPolarHBondContact O-CD 3.4Å; T205-K260 PolarHBondContact O-NZ 3.47Å |
| 206 | A | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 5% | 0.05 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -81.3 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q166 A169 L170 G202 V203 V204 T208 S209 L210 | Q166-A206 HydrophobicContact CB-CB 4.29Å; Q166-A206 HydrophobicContact CG-CB 4.21Å; A169-A206 HydrophobicContact CB-CB 4Å; L170-A206 HydrophobicContact CD2-CB 4.42Å; L170-A206 HydrophobicContact CG-CB 4.17Å; G202-A206 PolarHBondContact O-N 2.9Å; V203-A206 PolarHBondContact O-N 2.97Å; V203-A206 VanDerWaalsContact O-N 3.17Å; V204-A206 VanDerWaalsContact C-N 3.27Å; V204-A206 PolarHBondContact O-N 2.95Å; A206-T208 PolarHBondContact O-N 2.87Å; A206-S209 PolarHBondContact O-N 3.47Å; A206-L210 PolarHBondContact O-N 2.99Å |
| 207 | A | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L195 V203 V204 S209 L210 I211 | L195-A207 HydrophobicContact CB-CB 3.76Å; L195-A207 HydrophobicContact CD1-CB 4.3Å; V203-A207 WeakPolarHBondContact O-CB 3.44Å; V203-A207 PolarHBondContact O-N 3.18Å; V204-A207 PolarHBondContact O-N 2.9Å; A207-S209 VanDerWaalsContact C-N 3.32Å; A207-S209 PolarHBondContact O-N 3.19Å; A207-L210 WeakPolarHBondContact O-CB 3.48Å; A207-L210 PolarHBondContact O-N 3.45Å; A207-L210 VanDerWaalsContact O-N 3.14Å; A207-I211 VanDerWaalsContact O-CG1 3.28Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 2.71Å |
| 208 | T | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.5 | -45.7 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | L196 V204 A206 L210 I211 T212 K260 L261 L264 | L196-T208 VanDerWaalsContact CD2-OG1 3.29Å; L196-T208 WeakPolarHBondContact CD2-OG1 3.18Å; V204-T208 WeakPolarHBondContact O-CB 3.43Å; V204-T208 PolarHBondContact O-N 3.04Å; V204-T208 PolarHBondContact O-OG1 3.28Å; A206-T208 PolarHBondContact O-N 2.87Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.36Å; T208-I211 PolarHBondContact O-N 3.03Å; T208-T212 WeakPolarHBondContact O-CB 3.49Å; T208-T212 PolarHBondContact O-N 3.48Å; T208-T212 PolarHBondContact O-OG1 2.84Å; T208-K260 HydrophobicContact CG2-CB 3.82Å; T208-K260 VanDerWaalsContact CG2-O 3.29Å; T208-K260 WeakPolarHBondContact CG2-O 3.36Å; T208-L261 HydrophobicContact CG2-CD2 4.11Å; T208-L264 HydrophobicContact CG2-CB 3.96Å; T208-L264 HydrophobicContact CG2-CD2 4.03Å |
| 209 | S | 97.7 | Very high | 94.5 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 18% | 0.182 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 178.9 | -77 | 0 | 0 | 0 | 0 | 114.3 | A206 A207 T213 K260 | A206-S209 PolarHBondContact O-N 3.47Å; A207-S209 VanDerWaalsContact C-N 3.32Å; A207-S209 PolarHBondContact O-N 3.19Å; S209-T213 PolarHBondContact O-OG1 3.4Å; S209-T213 VanDerWaalsContact O-OG1 3.06Å; S209-K260 WeakPolarHBondContact OG-CD 3.42Å; S209-K260 VanDerWaalsContact OG-CE 3.29Å; S209-K260 WeakPolarHBondContact OG-CE 3.34Å; S209-K260 PolarHBondContact OG-NZ 2.89Å |
| 210 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -53.6 | 172 | 176.6 | 63.9 | 0 | 0 | 0 | 110 | L155 A169 L172 L173 V192 A206 A207 T208 T212 T213 L214 | L155-L210 HydrophobicContact CD2-CD2 3.7Å; A169-L210 HydrophobicContact CB-CD2 4.32Å; L172-L210 HydrophobicContact CB-CD1 4.37Å; L172-L210 HydrophobicContact CD2-CD1 4.44Å; L172-L210 HydrophobicContact CD2-CD2 4.02Å; L172-L210 HydrophobicContact CG-CD1 4.18Å; L173-L210 HydrophobicContact CB-CD1 3.94Å; V192-L210 HydrophobicContact CG1-CD2 3.93Å; A206-L210 PolarHBondContact O-N 2.99Å; A207-L210 WeakPolarHBondContact O-CB 3.48Å; A207-L210 PolarHBondContact O-N 3.45Å; A207-L210 VanDerWaalsContact O-N 3.14Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 3.36Å; L210-T212 PolarHBondContact O-N 3.44Å; L210-T213 PolarHBondContact O-N 3.02Å; L210-T213 VanDerWaalsContact O-N 3.12Å; L210-L214 HydrophobicContact CD1-CD1 3.76Å; L210-L214 HydrophobicContact CD1-CG 4.19Å; L210-L214 HydrophobicContact CG-CD1 3.8Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.39Å |
| 211 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -47.4 | -178.5 | -64.3 | 164 | 0 | 0 | 0 | 111.1 | V192 L196 A207 T208 T213 L214 A215 F222 L264 | V192-I211 HydrophobicContact CG1-CD1 4.25Å; V192-I211 HydrophobicContact CG1-CG1 3.94Å; L196-I211 HydrophobicContact CD1-CD1 3.97Å; L196-I211 HydrophobicContact CD2-CD1 4.06Å; L196-I211 HydrophobicContact CG-CD1 3.86Å; A207-I211 VanDerWaalsContact O-CG1 3.28Å; A207-I211 WeakPolarHBondContact O-CG1 3.36Å; A207-I211 PolarHBondContact O-N 2.71Å; T208-I211 PolarHBondContact O-N 3.03Å; I211-T213 PolarHBondContact O-N 2.84Å; I211-T213 VanDerWaalsContact O-N 3.17Å; I211-L214 PolarHBondContact O-N 3.23Å; I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.46Å; I211-A215 PolarHBondContact O-N 2.86Å; I211-F222 HydrophobicContact CB-CD1 4.34Å; I211-F222 HydrophobicContact CG1-CD1 4.05Å; I211-F222 HydrophobicContact CG1-CE1 4.19Å; I211-F222 HydrophobicContact CG2-CB 4.08Å; I211-F222 HydrophobicContact CG2-CD1 3.74Å; I211-F222 HydrophobicContact CG2-CG 4.14Å; I211-L264 HydrophobicContact CG2-CD1 3.75Å; I211-L264 HydrophobicContact CG2-CD2 4.23Å |
| 212 | T | 97 | Very high | 94.2 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.8 | -37.9 | 176.6 | -57 | 0 | 0 | 0 | 0 | 112.4 | T208 L210 Q216 | T208-T212 WeakPolarHBondContact O-CB 3.49Å; T208-T212 PolarHBondContact O-N 3.48Å; T208-T212 PolarHBondContact O-OG1 2.84Å; L210-T212 PolarHBondContact O-N 3.44Å; T212-Q216 WeakPolarHBondContact O-CG 3.15Å |
| 213 | T | 95.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.11 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -82 | -26.2 | -179.2 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | L173 R177 S209 L210 I211 | L173-T213 VanDerWaalsContact CD1-CB 3.42Å; L173-T213 HydrophobicContact CD1-CG2 3.65Å; L173-T213 VanDerWaalsContact CD1-OG1 3.23Å; L173-T213 WeakPolarHBondContact CD1-OG1 3.28Å; R177-T213 HydrophobicContact CG-CG2 4.34Å; R177-T213 PolarHBondContact NH2-OG1 3.23Å; S209-T213 PolarHBondContact O-OG1 3.4Å; S209-T213 VanDerWaalsContact O-OG1 3.06Å; L210-T213 PolarHBondContact O-N 3.02Å; L210-T213 VanDerWaalsContact O-N 3.12Å; I211-T213 PolarHBondContact O-N 2.84Å; I211-T213 VanDerWaalsContact O-N 3.17Å |
| 214 | L | 92.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.2 | -42 | 176.5 | -67.4 | 173.8 | 0 | 0 | 0 | 111.9 | N176 M185 W188 L210 I211 Q216 K217 S218 F222 | N176-L214 VanDerWaalsContact ND2-CD2 3.34Å; N176-L214 WeakPolarHBondContact ND2-CD2 3.44Å; M185-L214 HydrophobicContact CE-CD2 3.8Å; M185-L214 HydrophobicContact SD-CD2 4.17Å; W188-L214 HydrophobicContact CH2-CD1 3.77Å; W188-L214 HydrophobicContact CZ3-CD1 3.97Å; L210-L214 HydrophobicContact CD1-CD1 3.76Å; L210-L214 HydrophobicContact CD1-CG 4.19Å; L210-L214 HydrophobicContact CG-CD1 3.8Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.39Å; I211-L214 PolarHBondContact O-N 3.23Å; L214-Q216 PolarHBondContact O-N 2.95Å; L214-K217 PolarHBondContact O-N 3.08Å; L214-S218 PolarHBondContact O-N 2.98Å; L214-F222 HydrophobicContact CB-CD2 4.11Å; L214-F222 HydrophobicContact CB-CE1 4.49Å; L214-F222 HydrophobicContact CB-CE2 3.55Å; L214-F222 HydrophobicContact CB-CZ 3.77Å; L214-F222 HydrophobicContact CD1-CE1 4.16Å; L214-F222 HydrophobicContact CD1-CE2 4.15Å; L214-F222 HydrophobicContact CD1-CZ 3.53Å; L214-F222 HydrophobicContact CG-CE2 4.45Å; L214-F222 HydrophobicContact CG-CZ 4.28Å |
| 215 | A | 93.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -30.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I211 K217 S218 P219 F222 C267 Y268 | I211-A215 VanDerWaalsContact O-CB 3.26Å; I211-A215 WeakPolarHBondContact O-CB 3.46Å; I211-A215 PolarHBondContact O-N 2.86Å; A215-K217 PolarHBondContact O-N 3.03Å; A215-S218 CarbonylContact O-C 3.52Å; A215-P219 WeakPolarHBondContact O-CA 3.46Å; A215-P219 WeakPolarHBondContact O-CD 3.35Å; A215-P219 WeakPolarHBondContact O-CG 3.2Å; A215-F222 HydrophobicContact CB-CB 4.29Å; A215-C267 HydrophobicContact CB-CB 4.35Å; A215-Y268 HydrophobicContact CB-CE2 3.94Å; A215-Y268 WeakPolarHBondContact CB-OH 3.4Å |
| 216 | Q | 91.6 | Very high | 93.6 | Very high | 125 Ų | 125 | 39 Ų | 39 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -17.2 | 174.2 | -75.6 | 173.9 | -9.4 | 0 | 0 | 114.6 | T212 L214 | T212-Q216 WeakPolarHBondContact O-CG 3.15Å; L214-Q216 PolarHBondContact O-N 2.95Å |
| 217 | K | 87.5 | Confident | 93.5 | Very high | 126 Ų | 126 | 41.7 Ų | 41.7 | 55% | 0.548 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -39.7 | 175.7 | -65.2 | -177.7 | -177.2 | 174.3 | 0 | 112.3 | N176 L214 A215 | N176-K217 PolarHBondContact OD1-NZ 3.26Å; L214-K217 PolarHBondContact O-N 3.08Å; A215-K217 PolarHBondContact O-N 3.03Å |
| 218 | S | 88.1 | Confident | 93.4 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | trans | -126.7 | 80.6 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | L214 A215 D220 D221 | L214-S218 PolarHBondContact O-N 2.98Å; A215-S218 CarbonylContact O-C 3.52Å; S218-D220 PolarHBondContact O-N 2.78Å; S218-D221 WeakPolarHBondContact CB-OD2 3.32Å | ||
| 219 | P | 90.9 | Very high | 93.4 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -44 | -178.1 | -21.9 | 32.1 | 0 | 0 | 0 | 112.4 | A215 D221 F222 K223 Y268 | A215-P219 WeakPolarHBondContact O-CA 3.46Å; A215-P219 WeakPolarHBondContact O-CD 3.35Å; A215-P219 WeakPolarHBondContact O-CG 3.2Å; P219-D221 PolarHBondContact O-N 3.15Å; P219-F222 CarbonylContact O-C 3.53Å; P219-F222 PolarHBondContact O-N 2.74Å; P219-K223 PolarHBondContact O-N 2.84Å; P219-Y268 HydrophobicContact CB-CE1 3.99Å; P219-Y268 VanDerWaalsContact O-CE1 3.28Å; P219-Y268 WeakPolarHBondContact O-CE1 3.5Å; P219-Y268 PolarHBondContact O-OH 2.78Å |
| 220 | D | 90.3 | Very high | 93.3 | Very high | 133 Ų | 133 | 42.2 Ų | 42.2 | 71% | 0.711 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -62.8 | -46 | -171.3 | -60.9 | -50 | 0 | 0 | 0 | 113 | S218 F222 K223 | S218-D220 PolarHBondContact O-N 2.78Å; D220-F222 PolarHBondContact O-N 3.5Å; D220-F222 VanDerWaalsContact O-N 3.08Å; D220-K223 WeakPolarHBondContact O-CB 3.34Å; D220-K223 PolarHBondContact O-N 2.99Å |
| 221 | D | 89.4 | Confident | 93.2 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -51.4 | -33.8 | 176.4 | -79.5 | -24.2 | 0 | 0 | 0 | 113 | T189 S218 P219 | T189-D221 HydrophobicContact CG2-CB 4.07Å; T189-D221 WeakPolarHBondContact CG2-O 3.26Å; S218-D221 WeakPolarHBondContact CB-OD2 3.32Å; P219-D221 PolarHBondContact O-N 3.15Å |
| 222 | F | 93 | Very high | 93.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -108.7 | 5.6 | -176.5 | -65.4 | -86.4 | 0 | 0 | 0 | 113.2 | M185 T189 V193 I211 L214 A215 P219 D220 T224 S225 Y268 | M185-F222 HydrophobicContact SD-CE2 4.29Å; T189-F222 HydrophobicContact CG2-CD1 4.22Å; T189-F222 HydrophobicContact CG2-CD2 4.5Å; T189-F222 HydrophobicContact CG2-CE1 3.83Å; T189-F222 HydrophobicContact CG2-CE2 4.11Å; T189-F222 HydrophobicContact CG2-CZ 3.75Å; V193-F222 HydrophobicContact CG2-CD1 3.63Å; V193-F222 HydrophobicContact CG2-CE1 4.25Å; I211-F222 HydrophobicContact CB-CD1 4.34Å; I211-F222 HydrophobicContact CG1-CD1 4.05Å; I211-F222 HydrophobicContact CG1-CE1 4.19Å; I211-F222 HydrophobicContact CG2-CB 4.08Å; I211-F222 HydrophobicContact CG2-CD1 3.74Å; I211-F222 HydrophobicContact CG2-CG 4.14Å; L214-F222 HydrophobicContact CB-CD2 4.11Å; L214-F222 HydrophobicContact CB-CE1 4.49Å; L214-F222 HydrophobicContact CB-CE2 3.55Å; L214-F222 HydrophobicContact CB-CZ 3.77Å; L214-F222 HydrophobicContact CD1-CE1 4.16Å; L214-F222 HydrophobicContact CD1-CE2 4.15Å; L214-F222 HydrophobicContact CD1-CZ 3.53Å; L214-F222 HydrophobicContact CG-CE2 4.45Å; L214-F222 HydrophobicContact CG-CZ 4.28Å; A215-F222 HydrophobicContact CB-CB 4.29Å; P219-F222 CarbonylContact O-C 3.53Å; P219-F222 PolarHBondContact O-N 2.74Å; D220-F222 PolarHBondContact O-N 3.5Å; D220-F222 VanDerWaalsContact O-N 3.08Å; F222-T224 PolarHBondContact O-N 3Å; F222-T224 VanDerWaalsContact O-N 3.11Å; F222-S225 WeakPolarHBondContact O-CB 3.34Å; F222-S225 PolarHBondContact O-N 3.43Å; F222-S225 PolarHBondContact O-OG 3.45Å; F222-Y268 WeakPolarHBondContact CB-OH 3.46Å; F222-Y268 PolarHBondContact O-OH 2.81Å |
| 223 | K | 91.9 | Very high | 93.1 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 39% | 0.391 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32.4 | -177.9 | -176.3 | 171.9 | 173.6 | 175.3 | 0 | 113 | P219 D220 S225 V226 Y268 E272 | P219-K223 PolarHBondContact O-N 2.84Å; D220-K223 WeakPolarHBondContact O-CB 3.34Å; D220-K223 PolarHBondContact O-N 2.99Å; K223-S225 PolarHBondContact O-N 3.38Å; K223-V226 WeakPolarHBondContact O-CG2 3.44Å; K223-V226 PolarHBondContact O-N 2.69Å; K223-Y268 HydrophobicContact CB-CE1 4.33Å; K223-Y268 PolarHBondContact N-OH 2.7Å; K223-E272 WeakPolarHBondContact CE-OE2 3.29Å; K223-E272 IonicContact NZ-OE1 2.92Å; K223-E272 PolarHBondContact NZ-OE1 3.34Å; K223-E272 IonicContact NZ-OE2 2.82Å; K223-E272 PolarHBondContact NZ-OE2 3.13Å |
| 224 | T | 92.1 | Very high | 93 | Very high | 91 Ų | 91 | 44.2 Ų | 44.2 | 56% | 0.558 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.9 | -21.8 | 174.3 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | F222 V226 | F222-T224 PolarHBondContact O-N 3Å; F222-T224 VanDerWaalsContact O-N 3.11Å; T224-V226 VanDerWaalsContact C-N 3.29Å; T224-V226 PolarHBondContact O-N 3.14Å |
| 225 | S | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66 | -27.8 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | F222 K223 S227 L228 A229 | F222-S225 WeakPolarHBondContact O-CB 3.34Å; F222-S225 PolarHBondContact O-N 3.43Å; F222-S225 PolarHBondContact O-OG 3.45Å; K223-S225 PolarHBondContact O-N 3.38Å; S225-S227 PolarHBondContact O-N 3.5Å; S225-L228 PolarHBondContact O-N 2.91Å; S225-A229 VanDerWaalsContact O-CB 3.24Å; S225-A229 WeakPolarHBondContact O-CB 3.32Å; S225-A229 PolarHBondContact O-N 3.4Å |
| 226 | V | 95.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | K223 T224 L228 A229 V230 L265 Y268 P271 L276 | K223-V226 WeakPolarHBondContact O-CG2 3.44Å; K223-V226 PolarHBondContact O-N 2.69Å; T224-V226 VanDerWaalsContact C-N 3.29Å; T224-V226 PolarHBondContact O-N 3.14Å; V226-L228 PolarHBondContact O-N 3.08Å; V226-A229 PolarHBondContact O-N 3.01Å; V226-V230 WeakPolarHBondContact O-CG2 3.42Å; V226-V230 PolarHBondContact O-N 3.46Å; V226-L265 HydrophobicContact CB-CD2 4.45Å; V226-L265 HydrophobicContact CG1-CD2 3.83Å; V226-Y268 HydrophobicContact CG2-CD1 4.06Å; V226-Y268 HydrophobicContact CG2-CD2 3.51Å; V226-Y268 HydrophobicContact CG2-CE1 4.44Å; V226-Y268 HydrophobicContact CG2-CE2 3.94Å; V226-Y268 HydrophobicContact CG2-CG 3.57Å; V226-P271 HydrophobicContact CG1-CG 4.17Å; V226-L276 HydrophobicContact CG1-CD2 4.33Å |
| 227 | S | 95.1 | Very high | 93 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 43% | 0.427 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 179.2 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | S225 A231 | S225-S227 PolarHBondContact O-N 3.5Å; S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 3.35Å; S227-A231 VanDerWaalsContact O-N 3.08Å |
| 228 | L | 95.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 178.1 | -57.5 | -171.4 | 0 | 0 | 0 | 112.1 | V193 L196 N197 S225 V226 A231 R232 | V193-L228 HydrophobicContact CG1-CD1 3.9Å; L196-L228 HydrophobicContact CB-CB 4.13Å; L196-L228 HydrophobicContact CB-CD1 4.35Å; L196-L228 HydrophobicContact CD1-CB 4.23Å; N197-L228 WeakPolarHBondContact ND2-CD2 3.19Å; S225-L228 PolarHBondContact O-N 2.91Å; V226-L228 PolarHBondContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.1Å; L228-R232 VanDerWaalsContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CB 3.26Å; L228-R232 WeakPolarHBondContact O-CG 3.45Å; L228-R232 PolarHBondContact O-N 3.06Å |
| 229 | A | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -46.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S225 V226 R232 L233 L261 L264 L265 | S225-A229 VanDerWaalsContact O-CB 3.24Å; S225-A229 WeakPolarHBondContact O-CB 3.32Å; S225-A229 PolarHBondContact O-N 3.4Å; V226-A229 PolarHBondContact O-N 3.01Å; A229-R232 PolarHBondContact O-N 3.27Å; A229-L233 VanDerWaalsContact O-CB 3.29Å; A229-L233 WeakPolarHBondContact O-CB 3.06Å; A229-L233 PolarHBondContact O-N 2.74Å; A229-L261 HydrophobicContact CB-CD2 3.96Å; A229-L264 HydrophobicContact CB-CD2 4.15Å; A229-L265 HydrophobicContact CB-CD2 4.12Å |
| 230 | V | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 175.1 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | V226 R232 L233 S234 L265 L276 R279 L280 | V226-V230 WeakPolarHBondContact O-CG2 3.42Å; V226-V230 PolarHBondContact O-N 3.46Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 2.81Å; V230-L233 PolarHBondContact O-N 2.98Å; V230-S234 WeakPolarHBondContact O-CB 3.26Å; V230-S234 PolarHBondContact O-N 3.41Å; V230-L265 HydrophobicContact CG2-CD1 4.02Å; V230-L265 HydrophobicContact CG2-CD2 3.79Å; V230-L276 HydrophobicContact CB-CD1 3.74Å; V230-L276 HydrophobicContact CG1-CD1 3.81Å; V230-L276 HydrophobicContact CG2-CD1 4.22Å; V230-L276 HydrophobicContact CG2-CG 4.47Å; V230-R279 HydrophobicContact CG1-CB 4.38Å; V230-R279 HydrophobicContact CG1-CG 4.21Å; V230-L280 HydrophobicContact CG1-CB 4Å; V230-L280 HydrophobicContact CG2-CB 4.27Å; V230-L280 HydrophobicContact CG2-CD1 4.28Å; V230-L280 HydrophobicContact CG2-CD2 4.41Å |
| 231 | A | 94.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -37.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S227 L228 R235 | S227-A231 WeakPolarHBondContact O-CB 3.48Å; S227-A231 PolarHBondContact O-N 3.35Å; S227-A231 VanDerWaalsContact O-N 3.08Å; L228-A231 PolarHBondContact O-N 3.1Å; A231-R235 WeakPolarHBondContact O-CG 3.49Å; A231-R235 PolarHBondContact O-N 3.46Å |
| 232 | R | 94.4 | Very high | 90.9 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.8 | -46.2 | 175.8 | -73.4 | -79.4 | 159.4 | 156.8 | -3.4 | 112 | L196 N197 D198 L228 A229 V230 R235 I236 L261 | L196-R232 WeakPolarHBondContact O-CD 3.32Å; L196-R232 WeakPolarHBondContact O-CG 3.4Å; L196-R232 PolarHBondContact O-NE 2.73Å; N197-R232 VanDerWaalsContact C-NH2 3.27Å; N197-R232 PolarHBondContact O-NH2 2.86Å; N197-R232 PolarHBondContact OD1-NE 3.43Å; N197-R232 PolarHBondContact OD1-NH2 3.08Å; D198-R232 PolarHBondContact O-NH1 3.35Å; L228-R232 VanDerWaalsContact O-CB 3.28Å; L228-R232 WeakPolarHBondContact O-CB 3.26Å; L228-R232 WeakPolarHBondContact O-CG 3.45Å; L228-R232 PolarHBondContact O-N 3.06Å; A229-R232 PolarHBondContact O-N 3.27Å; V230-R232 VanDerWaalsContact C-N 3.31Å; V230-R232 PolarHBondContact O-N 2.81Å; R232-R235 PolarHBondContact O-N 3.47Å; R232-I236 VanDerWaalsContact O-CG1 3.32Å; R232-I236 WeakPolarHBondContact O-CG1 3.43Å; R232-I236 PolarHBondContact O-N 3.24Å; R232-L261 HydrophobicContact CB-CD1 4.19Å |
| 233 | L | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 177.1 | -174.4 | 69.8 | 0 | 0 | 0 | 111 | A229 V230 R235 I236 V237 L261 L262 L265 | A229-L233 VanDerWaalsContact O-CB 3.29Å; A229-L233 WeakPolarHBondContact O-CB 3.06Å; A229-L233 PolarHBondContact O-N 2.74Å; V230-L233 PolarHBondContact O-N 2.98Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 2.92Å; L233-I236 PolarHBondContact O-N 2.92Å; L233-V237 HydrophobicContact CD1-CG1 4.32Å; L233-V237 HydrophobicContact CG-CG1 4.42Å; L233-V237 PolarHBondContact O-N 3.2Å; L233-L261 HydrophobicContact CB-CD1 4.21Å; L233-L261 HydrophobicContact CD1-CB 4.36Å; L233-L261 HydrophobicContact CD1-CD1 4.47Å; L233-L262 HydrophobicContact CD1-CG 4.39Å; L233-L262 HydrophobicContact CD2-CD2 3.6Å; L233-L262 HydrophobicContact CD2-CG 3.93Å; L233-L265 HydrophobicContact CD2-CD1 4.41Å |
| 234 | S | 94.9 | Very high | 89.9 | Confident | 18 Ų | 18 | 44.4 Ų | 44.4 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.5 | -45.9 | 173.6 | 167.4 | 0 | 0 | 0 | 0 | 112 | V230 T238 R279 | V230-S234 WeakPolarHBondContact O-CB 3.26Å; V230-S234 PolarHBondContact O-N 3.41Å; S234-T238 WeakPolarHBondContact O-CB 3.28Å; S234-T238 WeakPolarHBondContact O-CG2 3.3Å; S234-T238 PolarHBondContact O-N 2.92Å; S234-T238 VanDerWaalsContact O-N 3.17Å; S234-T238 PolarHBondContact O-OG1 2.93Å; S234-R279 PolarHBondContact OG-NE 3.2Å; S234-R279 PolarHBondContact OG-NH2 3Å; S234-R279 VanDerWaalsContact OG-NH2 3.15Å |
| 235 | R | 93.4 | Very high | 89.5 | Confident | 147 Ų | 147 | 47.2 Ų | 47.2 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 175.6 | -74.1 | 173 | 61.9 | -168.8 | -2.2 | 113 | A231 R232 L233 T238 S239 | A231-R235 WeakPolarHBondContact O-CG 3.49Å; A231-R235 PolarHBondContact O-N 3.46Å; R232-R235 PolarHBondContact O-N 3.47Å; L233-R235 VanDerWaalsContact C-N 3.3Å; L233-R235 PolarHBondContact O-N 2.92Å; R235-T238 PolarHBondContact O-OG1 3.44Å; R235-S239 WeakPolarHBondContact O-CB 3.35Å; R235-S239 PolarHBondContact O-N 3.34Å |
| 236 | I | 93.4 | Very high | 89.3 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.8 | -47.2 | 179 | -67 | 162 | 0 | 0 | 0 | 110.4 | R232 L233 T238 S239 L244 A253 A254 L257 S258 L261 | R232-I236 VanDerWaalsContact O-CG1 3.32Å; R232-I236 WeakPolarHBondContact O-CG1 3.43Å; R232-I236 PolarHBondContact O-N 3.24Å; L233-I236 PolarHBondContact O-N 2.92Å; I236-T238 VanDerWaalsContact C-N 3.3Å; I236-T238 PolarHBondContact O-N 3.46Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 2.57Å; I236-L244 HydrophobicContact CG1-CD1 4.48Å; I236-A253 HydrophobicContact CG2-CB 4.18Å; I236-A254 HydrophobicContact CG2-CB 4.08Å; I236-L257 HydrophobicContact CD1-CD2 3.71Å; I236-L257 HydrophobicContact CD1-CG 4.01Å; I236-S258 WeakPolarHBondContact CG2-OG 3.47Å; I236-L261 HydrophobicContact CD1-CD1 3.98Å |
| 237 | V | 90.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 9% | 0.085 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.7 | -23.2 | -178 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | L233 C283 T286 I287 K290 | L233-V237 HydrophobicContact CD1-CG1 4.32Å; L233-V237 HydrophobicContact CG-CG1 4.42Å; L233-V237 PolarHBondContact O-N 3.2Å; V237-C283 HydrophobicContact CG2-CB 4.5Å; V237-C283 WeakPolarHBondContact CG2-SG 3.27Å; V237-T286 HydrophobicContact CB-CG2 4.48Å; V237-T286 HydrophobicContact CG2-CG2 4.21Å; V237-I287 HydrophobicContact CG1-CD1 4.04Å; V237-I287 HydrophobicContact CG1-CG1 3.86Å; V237-K290 PolarHBondContact O-NZ 2.96Å |
| 238 | T | 90.2 | Very high | 89.1 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 60% | 0.595 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -89.1 | -20.3 | 175.4 | 50 | 0 | 0 | 0 | 0 | 113.6 | S234 R235 I236 | S234-T238 WeakPolarHBondContact O-CB 3.28Å; S234-T238 WeakPolarHBondContact O-CG2 3.3Å; S234-T238 PolarHBondContact O-N 2.92Å; S234-T238 VanDerWaalsContact O-N 3.17Å; S234-T238 PolarHBondContact O-OG1 2.93Å; R235-T238 PolarHBondContact O-OG1 3.44Å; I236-T238 VanDerWaalsContact C-N 3.3Å; I236-T238 PolarHBondContact O-N 3.46Å |
| 239 | S | 87.8 | Confident | 89 | Confident | 23 Ų | 23 | 58 Ų | 58 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | trans | -57.2 | 147.9 | -179.4 | 67.4 | 0 | 0 | 0 | 0 | 114.2 | R235 I236 | R235-S239 WeakPolarHBondContact O-CB 3.35Å; R235-S239 PolarHBondContact O-N 3.34Å; I236-S239 PolarHBondContact O-N 3.41Å; I236-S239 PolarHBondContact O-OG 2.57Å | ||
| 240 | A | 80.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 62 Ų | 62 | 41% | 0.413 | 32% | 0.32 | S | S | . | . | trans | -80.5 | 155.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I242 D243 | A240-I242 HydrophobicContact CB-CG1 4.02Å; A240-I242 PolarHBondContact O-N 3.28Å; A240-D243 PolarHBondContact N-OD2 3.42Å; A240-D243 PolarHBondContact O-N 2.74Å | ||
| 241 | S | 70.1 | Confident | 88.8 | Confident | 58 Ų | 58 | 67.4 Ų | 67.4 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.4 | -179.2 | -42.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 242 | I | 72.3 | Confident | 88.7 | Confident | 120 Ų | 120 | 67.1 Ų | 67.1 | 62% | 0.615 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -17.8 | -179.6 | 59.2 | 171.9 | 0 | 0 | 0 | 113.6 | A240 Q245 | A240-I242 HydrophobicContact CB-CG1 4.02Å; A240-I242 PolarHBondContact O-N 3.28Å; I242-Q245 VanDerWaalsContact O-CG 3.23Å; I242-Q245 WeakPolarHBondContact O-CG 3.5Å; I242-Q245 PolarHBondContact O-NE2 2.8Å |
| 243 | D | 80 | Confident | 88.6 | Confident | 99 Ų | 99 | 66.7 Ų | 66.7 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -29.1 | -170.9 | -58.1 | -28.4 | 0 | 0 | 0 | 112.3 | A240 | A240-D243 PolarHBondContact N-OD2 3.42Å; A240-D243 PolarHBondContact O-N 2.74Å |
| 244 | L | 84.8 | Confident | 88.5 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | 50.9 | -170.9 | -62.1 | -179.2 | 0 | 0 | 0 | 111.3 | L201 I236 D246 Y247 T248 A253 | L201-L244 HydrophobicContact CD1-CD1 4.28Å; L201-L244 HydrophobicContact CD1-CD2 3.92Å; I236-L244 HydrophobicContact CG1-CD1 4.48Å; L244-D246 PolarHBondContact O-N 3.29Å; L244-Y247 CarbonylContact O-C 3.44Å; L244-Y247 PolarHBondContact O-N 2.92Å; L244-T248 WeakPolarHBondContact O-CB 3.06Å; L244-T248 PolarHBondContact O-N 2.88Å; L244-T248 PolarHBondContact O-OG1 3.24Å; L244-A253 HydrophobicContact CD1-CB 4.34Å |
| 245 | Q | 83.6 | Confident | 88.6 | Confident | 149 Ų | 149 | 66.1 Ų | 66.1 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -53.6 | -51.2 | -168.2 | -57.4 | -173.1 | 8.4 | 0 | 0 | 113.4 | I242 Y247 T248 | I242-Q245 VanDerWaalsContact O-CG 3.23Å; I242-Q245 WeakPolarHBondContact O-CG 3.5Å; I242-Q245 PolarHBondContact O-NE2 2.8Å; Q245-Y247 PolarHBondContact O-N 3.48Å; Q245-T248 PolarHBondContact O-N 3.39Å |
| 246 | D | 89.7 | Confident | 88.8 | Confident | 158 Ų | 158 | 66.6 Ų | 66.6 | 85% | 0.845 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.9 | -178.9 | -60.5 | -36.9 | 0 | 0 | 0 | 113.8 | L244 | L244-D246 PolarHBondContact O-N 3.29Š|
| 247 | Y | 92.4 | Very high | 88.9 | Confident | 70 Ų | 70 | 66.5 Ų | 66.5 | 28% | 0.275 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -110.9 | 5.4 | -175.2 | -68.1 | -91.5 | 0 | 0 | 0 | 113 | H200 L201 G202 L244 Q245 Y249 A254 | H200-Y247 PolarHBondContact CE1-OH 3.46Å; H200-Y247 PolarHBondContact NE2-OH 3.02Å; H200-Y247 VanDerWaalsContact NE2-OH 3.12Å; L201-Y247 HydrophobicContact CB-CD1 3.81Å; L201-Y247 HydrophobicContact CB-CD2 4.04Å; L201-Y247 HydrophobicContact CB-CE1 3.71Å; L201-Y247 HydrophobicContact CB-CE2 3.98Å; L201-Y247 HydrophobicContact CB-CG 3.98Å; L201-Y247 HydrophobicContact CD1-CD1 4.36Å; L201-Y247 HydrophobicContact CD1-CD2 4.06Å; L201-Y247 HydrophobicContact CD1-CG 3.86Å; L201-Y247 HydrophobicContact CG-CD2 4.34Å; L201-Y247 HydrophobicContact CG-CG 4.42Å; G202-Y247 PolarHBondContact N-OH 3.01Å; L244-Y247 CarbonylContact O-C 3.44Å; L244-Y247 PolarHBondContact O-N 2.92Å; Q245-Y247 PolarHBondContact O-N 3.48Å; Y247-Y249 PolarHBondContact O-N 2.92Å; Y247-A254 VanDerWaalsContact O-CA 3.24Å; Y247-A254 WeakPolarHBondContact O-CA 3.41Å; Y247-A254 PolarHBondContact O-N 3.25Å |
| 248 | T | 93.8 | Very high | 89.2 | Confident | 33 Ų | 33 | 65.9 Ų | 65.9 | 20% | 0.202 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107 | 177.1 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | L244 Q245 V252 | L244-T248 WeakPolarHBondContact O-CB 3.06Å; L244-T248 PolarHBondContact O-N 2.88Å; L244-T248 PolarHBondContact O-OG1 3.24Å; Q245-T248 PolarHBondContact O-N 3.39Å; T248-V252 CarbonylContact C-O 3.58Å; T248-V252 WeakPolarHBondContact CA-O 3.36Å |
| 249 | Y | 94.6 | Very high | 89.6 | Confident | 78 Ų | 78 | 62.8 Ų | 62.8 | 31% | 0.306 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.7 | 179.3 | -176.9 | -98.8 | 0 | 0 | 0 | 110.1 | Y247 F251 V252 W256 Q301 A305 | Y247-Y249 PolarHBondContact O-N 2.92Å; Y249-F251 PolarHBondContact O-N 3.01Å; Y249-V252 PolarHBondContact N-O 3.16Å; Y249-V252 WeakPolarHBondContact O-CB 3.44Å; Y249-V252 PolarHBondContact O-N 3.21Å; Y249-W256 HydrophobicContact CD1-CH2 4.03Å; Y249-W256 HydrophobicContact CD1-CZ2 4.37Å; Y249-W256 AromaticContact CD2-CH2 3.47Å; Y249-W256 HydrophobicContact CD2-CH2 3.47Å; Y249-W256 VanDerWaalsContact CD2-CH2 3.47Å; Y249-W256 HydrophobicContact CD2-CZ2 4.37Å; Y249-W256 HydrophobicContact CD2-CZ3 4.18Å; Y249-W256 HydrophobicContact CE1-CH2 4.41Å; Y249-W256 HydrophobicContact CE1-CZ2 4.48Å; Y249-W256 AromaticContact CE2-CH2 3.89Å; Y249-W256 HydrophobicContact CE2-CH2 3.89Å; Y249-W256 HydrophobicContact CE2-CZ2 4.46Å; Y249-W256 AromaticContact CG-CH2 3.52Å; Y249-W256 HydrophobicContact CG-CH2 3.52Å; Y249-W256 HydrophobicContact CG-CZ2 4.29Å; Y249-W256 HydrophobicContact CG-CZ3 4.07Å; Y249-Q301 HydrophobicContact CE1-CB 4Å; Y249-A305 HydrophobicContact CD1-CB 3.77Å; Y249-A305 HydrophobicContact CE1-CB 4.14Å |
| 250 | Y | 93.5 | Very high | 90.1 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 50.6 | 176.8 | -73.6 | -114 | 0 | 0 | 0 | 112.9 | V252 K299 Q301 H302 | Y250-V252 PolarHBondContact O-N 3.29Å; Y250-K299 HydrophobicContact CD1-CB 4.13Å; Y250-K299 HydrophobicContact CD1-CD 4.08Å; Y250-K299 HydrophobicContact CE1-CB 4.11Å; Y250-K299 HydrophobicContact CE1-CD 3.61Å; Y250-Q301 HydrophobicContact CD1-CB 3.64Å; Y250-Q301 HydrophobicContact CD2-CB 4.08Å; Y250-Q301 HydrophobicContact CE1-CB 3.6Å; Y250-Q301 HydrophobicContact CE1-CG 4Å; Y250-Q301 HydrophobicContact CE2-CB 4.09Å; Y250-Q301 HydrophobicContact CE2-CG 4.38Å; Y250-Q301 HydrophobicContact CG-CB 3.88Å; Y250-H302 PolarHBondContact O-ND1 3.05Å |
| 251 | F | 92.4 | Very high | 90.9 | Very high | 115 Ų | 115 | 62.1 Ų | 62.1 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 15 | -176.6 | -46.1 | -78.9 | 0 | 0 | 0 | 115.8 | Y249 K296 | Y249-F251 PolarHBondContact O-N 3.01Å; F251-K296 HydrophobicContact CB-CB 4.35Å |
| 252 | V | 92.9 | Very high | 92.2 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 124.2 | 170 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | T248 Y249 Y250 A254 P255 A305 K306 | T248-V252 CarbonylContact C-O 3.58Å; T248-V252 WeakPolarHBondContact CA-O 3.36Å; Y249-V252 PolarHBondContact N-O 3.16Å; Y249-V252 WeakPolarHBondContact O-CB 3.44Å; Y249-V252 PolarHBondContact O-N 3.21Å; Y250-V252 PolarHBondContact O-N 3.29Å; V252-A254 PolarHBondContact O-N 3.44Å; V252-P255 HydrophobicContact CB-CG 4.48Å; V252-P255 HydrophobicContact CG1-CB 3.9Å; V252-P255 HydrophobicContact CG1-CG 4.3Å; V252-P255 WeakPolarHBondContact O-CD 3.32Å; V252-A305 HydrophobicContact CB-CB 4.3Å; V252-A305 HydrophobicContact CG2-CB 4.03Å; V252-K306 HydrophobicContact CG2-CB 4.28Å |
| 253 | A | 92.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 59.8 Ų | 59.8 | 18% | 0.182 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 117.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I236 L244 | I236-A253 HydrophobicContact CG2-CB 4.18Å; L244-A253 HydrophobicContact CD1-CB 4.34Å |
| 254 | A | 94.5 | Very high | 94.2 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | S | Bend | trans | 41.1 | 51.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L201 I236 Y247 V252 W256 L257 S258 | L201-A254 HydrophobicContact CD1-CB 4.24Å; I236-A254 HydrophobicContact CG2-CB 4.08Å; Y247-A254 VanDerWaalsContact O-CA 3.24Å; Y247-A254 WeakPolarHBondContact O-CA 3.41Å; Y247-A254 PolarHBondContact O-N 3.25Å; V252-A254 PolarHBondContact O-N 3.44Å; A254-W256 PolarHBondContact O-N 3.11Å; A254-L257 HydrophobicContact CB-CB 4.16Å; A254-L257 PolarHBondContact O-N 3.46Å; A254-S258 PolarHBondContact O-N 2.91Å; A254-S258 PolarHBondContact O-OG 2.69Å |
| 255 | P | 96 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.9 | -44.4 | -167.6 | 20.5 | -32.7 | 0 | 0 | 0 | 113.5 | V252 L257 S258 V259 A305 V309 | V252-P255 HydrophobicContact CB-CG 4.48Å; V252-P255 HydrophobicContact CG1-CB 3.9Å; V252-P255 HydrophobicContact CG1-CG 4.3Å; V252-P255 WeakPolarHBondContact O-CD 3.32Å; P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 3.1Å; P255-S258 PolarHBondContact O-N 3.49Å; P255-V259 WeakPolarHBondContact O-CG2 3.47Å; P255-V259 PolarHBondContact O-N 2.96Å; P255-A305 HydrophobicContact CB-CB 4.27Å; P255-A305 HydrophobicContact CG-CB 4.23Å; P255-V309 HydrophobicContact CB-CG2 3.9Å |
| 256 | W | 97.4 | Very high | 95.4 | Very high | 158 Ų | 158 | 47.3 Ų | 47.3 | 60% | 0.598 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -68 | -28.8 | 179.6 | -55.1 | -75.1 | 0 | 0 | 0 | 113.6 | Y249 A254 K260 | Y249-W256 HydrophobicContact CD1-CH2 4.03Å; Y249-W256 HydrophobicContact CD1-CZ2 4.37Å; Y249-W256 AromaticContact CD2-CH2 3.47Å; Y249-W256 HydrophobicContact CD2-CH2 3.47Å; Y249-W256 VanDerWaalsContact CD2-CH2 3.47Å; Y249-W256 HydrophobicContact CD2-CZ2 4.37Å; Y249-W256 HydrophobicContact CD2-CZ3 4.18Å; Y249-W256 HydrophobicContact CE1-CH2 4.41Å; Y249-W256 HydrophobicContact CE1-CZ2 4.48Å; Y249-W256 AromaticContact CE2-CH2 3.89Å; Y249-W256 HydrophobicContact CE2-CH2 3.89Å; Y249-W256 HydrophobicContact CE2-CZ2 4.46Å; Y249-W256 AromaticContact CG-CH2 3.52Å; Y249-W256 HydrophobicContact CG-CH2 3.52Å; Y249-W256 HydrophobicContact CG-CZ2 4.29Å; Y249-W256 HydrophobicContact CG-CZ3 4.07Å; A254-W256 PolarHBondContact O-N 3.11Å; W256-K260 WeakPolarHBondContact O-CG 3.07Å; W256-K260 PolarHBondContact O-N 2.92Å; W256-K260 VanDerWaalsContact O-N 3.1Å |
| 257 | L | 96.9 | Very high | 95.6 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -73.5 | -43.6 | 173.7 | 176.1 | 56.7 | 0 | 0 | 0 | 110.1 | L201 V204 I236 A254 P255 V259 K260 L261 | L201-L257 HydrophobicContact CB-CD2 4.14Å; L201-L257 HydrophobicContact CD1-CD2 4.38Å; L201-L257 HydrophobicContact CD2-CD2 3.9Å; L201-L257 HydrophobicContact CG-CD2 4.37Å; V204-L257 HydrophobicContact CB-CD1 4.3Å; V204-L257 HydrophobicContact CB-CD2 4.36Å; V204-L257 HydrophobicContact CG1-CD1 3.72Å; V204-L257 HydrophobicContact CG1-CD2 4.15Å; I236-L257 HydrophobicContact CD1-CD2 3.71Å; I236-L257 HydrophobicContact CD1-CG 4.01Å; A254-L257 HydrophobicContact CB-CB 4.16Å; A254-L257 PolarHBondContact O-N 3.46Å; P255-L257 VanDerWaalsContact C-N 3.31Å; P255-L257 PolarHBondContact O-N 3.1Å; L257-V259 VanDerWaalsContact C-N 3.34Å; L257-V259 PolarHBondContact O-N 3.21Å; L257-K260 PolarHBondContact O-N 2.82Å; L257-K260 VanDerWaalsContact O-N 3.16Å; L257-L261 HydrophobicContact CD1-CD1 4.09Å; L257-L261 HydrophobicContact CD1-CD2 4.42Å; L257-L261 HydrophobicContact CD1-CG 3.95Å; L257-L261 HydrophobicContact CG-CD1 4.01Å; L257-L261 HydrophobicContact CG-CG 4.33Å; L257-L261 WeakPolarHBondContact O-CG 3.33Å; L257-L261 PolarHBondContact O-N 3.48Å |
| 258 | S | 97.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 174.7 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | I236 A254 P255 L261 L262 | I236-S258 WeakPolarHBondContact CG2-OG 3.47Å; A254-S258 PolarHBondContact O-N 2.91Å; A254-S258 PolarHBondContact O-OG 2.69Å; P255-S258 PolarHBondContact O-N 3.49Å; S258-L261 PolarHBondContact O-N 3.34Å; S258-L262 WeakPolarHBondContact O-CB 3.25Å; S258-L262 WeakPolarHBondContact O-CD1 3.13Å; S258-L262 VanDerWaalsContact O-CG 3.31Å; S258-L262 WeakPolarHBondContact O-CG 3.2Å; S258-L262 PolarHBondContact O-N 3.19Å |
| 259 | V | 98.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 41.2 Ų | 41.2 | 19% | 0.194 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -48.6 | 173.2 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | P255 L257 L261 L262 R263 A308 V309 E312 | P255-V259 WeakPolarHBondContact O-CG2 3.47Å; P255-V259 PolarHBondContact O-N 2.96Å; L257-V259 VanDerWaalsContact C-N 3.34Å; L257-V259 PolarHBondContact O-N 3.21Å; V259-L261 VanDerWaalsContact C-N 3.34Å; V259-L261 PolarHBondContact O-N 3.4Å; V259-L262 PolarHBondContact O-N 2.9Å; V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.48Å; V259-A308 HydrophobicContact CG2-CB 4.36Å; V259-V309 HydrophobicContact CG2-CG2 4.19Å; V259-E312 HydrophobicContact CB-CG 4.44Å; V259-E312 HydrophobicContact CG1-CB 4.3Å; V259-E312 HydrophobicContact CG1-CG 3.98Å; V259-E312 HydrophobicContact CG2-CB 4.25Å |
| 260 | K | 97.8 | Very high | 95.6 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63 | -36.7 | 178.1 | -75.5 | -173.1 | -173.5 | -161.3 | 0 | 113.5 | T205 T208 S209 W256 L257 L264 | T205-K260 HydrophobicContact CG2-CD 4.02Å; T205-K260 WeakPolarHBondContact O-CD 3.4Å; T205-K260 PolarHBondContact O-NZ 3.47Å; T208-K260 HydrophobicContact CG2-CB 3.82Å; T208-K260 VanDerWaalsContact CG2-O 3.29Å; T208-K260 WeakPolarHBondContact CG2-O 3.36Å; S209-K260 WeakPolarHBondContact OG-CD 3.42Å; S209-K260 VanDerWaalsContact OG-CE 3.29Å; S209-K260 WeakPolarHBondContact OG-CE 3.34Å; S209-K260 PolarHBondContact OG-NZ 2.89Å; W256-K260 WeakPolarHBondContact O-CG 3.07Å; W256-K260 PolarHBondContact O-N 2.92Å; W256-K260 VanDerWaalsContact O-N 3.1Å; L257-K260 PolarHBondContact O-N 2.82Å; L257-K260 VanDerWaalsContact O-N 3.16Å; K260-L264 WeakPolarHBondContact O-CB 3.5Å; K260-L264 PolarHBondContact O-N 3.17Å |
| 261 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -44.3 | 177.3 | -69.8 | 172.8 | 0 | 0 | 0 | 110.9 | T208 A229 R232 L233 I236 L257 S258 V259 R263 L264 L265 | T208-L261 HydrophobicContact CG2-CD2 4.11Å; A229-L261 HydrophobicContact CB-CD2 3.96Å; R232-L261 HydrophobicContact CB-CD1 4.19Å; L233-L261 HydrophobicContact CB-CD1 4.21Å; L233-L261 HydrophobicContact CD1-CB 4.36Å; L233-L261 HydrophobicContact CD1-CD1 4.47Å; I236-L261 HydrophobicContact CD1-CD1 3.98Å; L257-L261 HydrophobicContact CD1-CD1 4.09Å; L257-L261 HydrophobicContact CD1-CD2 4.42Å; L257-L261 HydrophobicContact CD1-CG 3.95Å; L257-L261 HydrophobicContact CG-CD1 4.01Å; L257-L261 HydrophobicContact CG-CG 4.33Å; L257-L261 WeakPolarHBondContact O-CG 3.33Å; L257-L261 PolarHBondContact O-N 3.48Å; S258-L261 PolarHBondContact O-N 3.34Å; V259-L261 VanDerWaalsContact C-N 3.34Å; V259-L261 PolarHBondContact O-N 3.4Å; L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 3.33Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 2.92Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.35Å |
| 262 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.5 | -43.6 | 173.4 | -71 | 162.6 | 0 | 0 | 0 | 111.5 | L233 S258 V259 L264 L265 Q266 L284 I287 V309 E312 A313 L316 | L233-L262 HydrophobicContact CD1-CG 4.39Å; L233-L262 HydrophobicContact CD2-CD2 3.6Å; L233-L262 HydrophobicContact CD2-CG 3.93Å; S258-L262 WeakPolarHBondContact O-CB 3.25Å; S258-L262 WeakPolarHBondContact O-CD1 3.13Å; S258-L262 VanDerWaalsContact O-CG 3.31Å; S258-L262 WeakPolarHBondContact O-CG 3.2Å; S258-L262 PolarHBondContact O-N 3.19Å; V259-L262 PolarHBondContact O-N 2.9Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 3.44Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.88Å; L262-L265 VanDerWaalsContact O-N 3.14Å; L262-Q266 PolarHBondContact O-N 3.34Å; L262-Q266 VanDerWaalsContact O-N 3.09Å; L262-L284 HydrophobicContact CD2-CD2 4.07Å; L262-I287 HydrophobicContact CD1-CD1 4.42Å; L262-V309 HydrophobicContact CD1-CG1 4.14Å; L262-E312 HydrophobicContact CB-CB 4.25Å; L262-E312 HydrophobicContact CB-CG 3.62Å; L262-E312 HydrophobicContact CD1-CB 4.1Å; L262-E312 HydrophobicContact CD1-CG 4.38Å; L262-A313 HydrophobicContact CD1-CB 4Å; L262-A313 HydrophobicContact CD2-CB 4.28Å; L262-L316 HydrophobicContact CD2-CD2 3.63Å |
| 263 | R | 97.4 | Very high | 95.1 | Very high | 129 Ų | 129 | 40 Ų | 40 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.8 | -28.1 | 176 | -170.1 | 60.3 | 178.1 | -172.9 | -0.4 | 113.8 | V259 L261 E312 | V259-R263 WeakPolarHBondContact O-CB 3.36Å; V259-R263 PolarHBondContact O-N 3.48Å; L261-R263 VanDerWaalsContact C-N 3.34Å; L261-R263 PolarHBondContact O-N 3.33Å; R263-E312 WeakPolarHBondContact CD-OE1 3.38Å |
| 264 | L | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -41.9 | 168.9 | 172.5 | 60.5 | 0 | 0 | 0 | 111.1 | L196 T208 I211 A229 K260 L261 L262 Q266 C267 Y268 | L196-L264 HydrophobicContact CD1-CD2 4.35Å; T208-L264 HydrophobicContact CG2-CB 3.96Å; T208-L264 HydrophobicContact CG2-CD2 4.03Å; I211-L264 HydrophobicContact CG2-CD1 3.75Å; I211-L264 HydrophobicContact CG2-CD2 4.23Å; A229-L264 HydrophobicContact CB-CD2 4.15Å; K260-L264 WeakPolarHBondContact O-CB 3.5Å; K260-L264 PolarHBondContact O-N 3.17Å; L261-L264 WeakPolarHBondContact O-CB 3.33Å; L261-L264 PolarHBondContact O-N 2.92Å; L262-L264 VanDerWaalsContact C-N 3.33Å; L262-L264 PolarHBondContact O-N 3.44Å; L264-Q266 VanDerWaalsContact C-N 3.25Å; L264-Q266 PolarHBondContact O-N 3.07Å; L264-C267 VanDerWaalsContact O-CB 3.31Å; L264-C267 WeakPolarHBondContact O-CB 3.28Å; L264-C267 PolarHBondContact O-N 3.11Å; L264-Y268 HydrophobicContact CD1-CE2 4.28Å |
| 265 | L | 96.4 | Very high | 95 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -29.8 | 177.5 | -64.7 | 171.9 | 0 | 0 | 0 | 112.3 | V226 A229 V230 L233 L261 L262 C267 Y268 L280 L316 | V226-L265 HydrophobicContact CB-CD2 4.45Å; V226-L265 HydrophobicContact CG1-CD2 3.83Å; A229-L265 HydrophobicContact CB-CD2 4.12Å; V230-L265 HydrophobicContact CG2-CD1 4.02Å; V230-L265 HydrophobicContact CG2-CD2 3.79Å; L233-L265 HydrophobicContact CD2-CD1 4.41Å; L261-L265 WeakPolarHBondContact O-CG 3.44Å; L261-L265 PolarHBondContact O-N 3.35Å; L262-L265 WeakPolarHBondContact O-CB 3.46Å; L262-L265 PolarHBondContact O-N 2.88Å; L262-L265 VanDerWaalsContact O-N 3.14Å; L265-C267 PolarHBondContact O-N 3.24Å; L265-Y268 PolarHBondContact O-N 2.76Å; L265-Y268 VanDerWaalsContact O-N 3.13Å; L265-L280 HydrophobicContact CD1-CD1 3.86Å; L265-L316 HydrophobicContact CB-CD1 3.82Å; L265-L316 HydrophobicContact CB-CD2 3.87Å; L265-L316 HydrophobicContact CD1-CD2 3.97Å |
| 266 | Q | 96.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -3.6 | 170.7 | -67 | 168.3 | 26 | 0 | 0 | 114.4 | L262 L264 Y268 E312 L316 H319 | L262-Q266 PolarHBondContact O-N 3.34Å; L262-Q266 VanDerWaalsContact O-N 3.09Å; L264-Q266 VanDerWaalsContact C-N 3.25Å; L264-Q266 PolarHBondContact O-N 3.07Å; Q266-Y268 VanDerWaalsContact C-N 3.28Å; Q266-E312 PolarHBondContact NE2-O 3.21Å; Q266-E312 PolarHBondContact NE2-OE1 2.92Å; Q266-E312 PolarHBondContact OE1-OE1 2.67Å; Q266-L316 HydrophobicContact CB-CD1 4.4Å; Q266-L316 HydrophobicContact CG-CB 4.02Å; Q266-L316 HydrophobicContact CG-CD1 3.63Å; Q266-L316 HydrophobicContact CG-CG 4.43Å; Q266-H319 PolarHBondContact O-NE2 3.35Å |
| 267 | C | 95.2 | Very high | 94.5 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0 | 169.9 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | A215 L264 L265 | A215-C267 HydrophobicContact CB-CB 4.35Å; L264-C267 VanDerWaalsContact O-CB 3.31Å; L264-C267 WeakPolarHBondContact O-CB 3.28Å; L264-C267 PolarHBondContact O-N 3.11Å; L265-C267 PolarHBondContact O-N 3.24Å |
| 268 | Y | 94.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -135.2 | 150.6 | -174 | -70.7 | -79.6 | 0 | 0 | 0 | 111.4 | A215 P219 F222 K223 V226 L264 L265 Q266 H320 | A215-Y268 HydrophobicContact CB-CE2 3.94Å; A215-Y268 WeakPolarHBondContact CB-OH 3.4Å; P219-Y268 HydrophobicContact CB-CE1 3.99Å; P219-Y268 VanDerWaalsContact O-CE1 3.28Å; P219-Y268 WeakPolarHBondContact O-CE1 3.5Å; P219-Y268 PolarHBondContact O-OH 2.78Å; F222-Y268 WeakPolarHBondContact CB-OH 3.46Å; F222-Y268 PolarHBondContact O-OH 2.81Å; K223-Y268 HydrophobicContact CB-CE1 4.33Å; K223-Y268 PolarHBondContact N-OH 2.7Å; V226-Y268 HydrophobicContact CG2-CD1 4.06Å; V226-Y268 HydrophobicContact CG2-CD2 3.51Å; V226-Y268 HydrophobicContact CG2-CE1 4.44Å; V226-Y268 HydrophobicContact CG2-CE2 3.94Å; V226-Y268 HydrophobicContact CG2-CG 3.57Å; L264-Y268 HydrophobicContact CD1-CE2 4.28Å; L265-Y268 PolarHBondContact O-N 2.76Å; L265-Y268 VanDerWaalsContact O-N 3.13Å; Q266-Y268 VanDerWaalsContact C-N 3.28Å; Y268-H320 PolarHBondContact O-NE2 2.99Å |
| 269 | P | 92.9 | Very high | 94.2 | Very high | 90 Ų | 90 | 50.4 Ų | 50.4 | 58% | 0.584 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 169.1 | 167.4 | 29.9 | -36.2 | 0 | 0 | 0 | 111.4 | ||
| 270 | P | 91.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 27% | 0.266 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -49.4 | 140 | 172 | -27.1 | 34.1 | 0 | 0 | 0 | 112 | E272 H320 | P270-E272 PolarHBondContact O-N 2.82Å; P270-H320 HydrophobicContact CG-CB 3.88Å |
| 271 | P | 91.3 | Very high | 93.9 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 134.2 | -178.7 | -27.4 | 34.8 | 0 | 0 | 0 | 113.3 | V226 L276 R277 L280 | V226-P271 HydrophobicContact CG1-CG 4.17Å; P271-L276 HydrophobicContact CB-CB 4.23Å; P271-L276 HydrophobicContact CB-CD2 4.03Å; P271-L276 HydrophobicContact CB-CG 4.08Å; P271-L276 HydrophobicContact CG-CD2 4.47Å; P271-L276 HydrophobicContact CG-CG 4.34Å; P271-R277 VanDerWaalsContact O-CZ 3.3Å; P271-R277 PolarHBondContact O-NE 2.69Å; P271-R277 PolarHBondContact O-NH2 3.47Å; P271-L280 HydrophobicContact CG-CD2 4.15Å |
| 272 | E | 85.9 | Confident | 93.8 | Very high | 141 Ų | 141 | 52.2 Ų | 52.2 | 66% | 0.659 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66.9 | -39 | 177.4 | -71.5 | 161.5 | -169.2 | 0 | 0 | 112.3 | K223 P270 A274 R277 | K223-E272 WeakPolarHBondContact CE-OE2 3.29Å; K223-E272 IonicContact NZ-OE1 2.92Å; K223-E272 PolarHBondContact NZ-OE1 3.34Å; K223-E272 IonicContact NZ-OE2 2.82Å; K223-E272 PolarHBondContact NZ-OE2 3.13Å; P270-E272 PolarHBondContact O-N 2.82Å; E272-A274 PolarHBondContact O-N 3.36Å; E272-R277 VanDerWaalsContact C-NH2 3.35Å; E272-R277 PolarHBondContact O-NH2 3.39Å |
| 273 | D | 91.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -70.1 | 123.8 | 174.4 | 171.6 | 29.2 | 0 | 0 | 0 | 111.1 | S275 L276 R277 | D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 PolarHBondContact O-N 2.68Å; D273-S275 PolarHBondContact OD1-N 2.66Å; D273-S275 PolarHBondContact OD1-OG 2.83Å; D273-S275 PolarHBondContact OD2-OG 3.1Å; D273-L276 HydrophobicContact CB-CB 4.03Å; D273-L276 PolarHBondContact O-N 3.38Å; D273-L276 WeakPolarHBondContact OD2-CB 3.36Å; D273-L276 PolarHBondContact OD2-N 3.39Å; D273-L276 VanDerWaalsContact OD2-N 3.09Å; D273-R277 WeakPolarHBondContact O-CB 3.48Å; D273-R277 PolarHBondContact O-N 3.11Å |
| 274 | A | 91.3 | Very high | 93.6 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 50% | 0.504 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.9 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E272 R277 S278 | E272-A274 PolarHBondContact O-N 3.36Å; A274-R277 PolarHBondContact O-N 3.25Å; A274-S278 PolarHBondContact O-N 3.48Å |
| 275 | S | 93.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 49.6 Ų | 49.6 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.1 | -43.3 | 179.3 | 93.1 | 0 | 0 | 0 | 0 | 111.1 | D273 R279 | D273-S275 VanDerWaalsContact C-N 3.29Å; D273-S275 PolarHBondContact O-N 2.68Å; D273-S275 PolarHBondContact OD1-N 2.66Å; D273-S275 PolarHBondContact OD1-OG 2.83Å; D273-S275 PolarHBondContact OD2-OG 3.1Å; S275-R279 PolarHBondContact O-N 3.46Å |
| 276 | L | 92.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.12 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 176.6 | -169.8 | 60.4 | 0 | 0 | 0 | 112.3 | V226 V230 P271 D273 L280 | V226-L276 HydrophobicContact CG1-CD2 4.33Å; V230-L276 HydrophobicContact CB-CD1 3.74Å; V230-L276 HydrophobicContact CG1-CD1 3.81Å; V230-L276 HydrophobicContact CG2-CD1 4.22Å; V230-L276 HydrophobicContact CG2-CG 4.47Å; P271-L276 HydrophobicContact CB-CB 4.23Å; P271-L276 HydrophobicContact CB-CD2 4.03Å; P271-L276 HydrophobicContact CB-CG 4.08Å; P271-L276 HydrophobicContact CG-CD2 4.47Å; P271-L276 HydrophobicContact CG-CG 4.34Å; D273-L276 HydrophobicContact CB-CB 4.03Å; D273-L276 PolarHBondContact O-N 3.38Å; D273-L276 WeakPolarHBondContact OD2-CB 3.36Å; D273-L276 PolarHBondContact OD2-N 3.39Å; D273-L276 VanDerWaalsContact OD2-N 3.09Å; L276-L280 PolarHBondContact O-N 2.85Å; L276-L280 VanDerWaalsContact O-N 3.08Å |
| 277 | R | 92.4 | Very high | 93.4 | Very high | 86 Ų | 86 | 50.9 Ų | 50.9 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -53.8 | 174.5 | -163.8 | -175.5 | -49.3 | 114.5 | 10.7 | 111.4 | P271 E272 D273 A274 R279 L280 S281 | P271-R277 VanDerWaalsContact O-CZ 3.3Å; P271-R277 PolarHBondContact O-NE 2.69Å; P271-R277 PolarHBondContact O-NH2 3.47Å; E272-R277 VanDerWaalsContact C-NH2 3.35Å; E272-R277 PolarHBondContact O-NH2 3.39Å; D273-R277 WeakPolarHBondContact O-CB 3.48Å; D273-R277 PolarHBondContact O-N 3.11Å; A274-R277 PolarHBondContact O-N 3.25Å; R277-R279 PolarHBondContact O-N 2.87Å; R277-L280 WeakPolarHBondContact O-CA 3.32Å; R277-L280 WeakPolarHBondContact O-CB 3.32Å; R277-L280 PolarHBondContact O-N 2.9Å; R277-S281 PolarHBondContact O-N 2.98Å; R277-S281 PolarHBondContact O-OG 3.18Å; R277-S281 VanDerWaalsContact O-OG 3.06Å |
| 278 | S | 92.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 42% | 0.42 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -51 | -46.3 | 176.5 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | A274 L280 S281 E282 | A274-S278 PolarHBondContact O-N 3.48Å; S278-L280 VanDerWaalsContact C-N 3.32Å; S278-L280 PolarHBondContact O-N 3.34Å; S278-S281 PolarHBondContact O-N 2.9Å; S278-E282 WeakPolarHBondContact O-CB 3.26Å; S278-E282 VanDerWaalsContact O-CG 3.3Å; S278-E282 WeakPolarHBondContact O-CG 3.43Å; S278-E282 PolarHBondContact O-N 2.92Å; S278-E282 PolarHBondContact OG-OE1 3.43Å |
| 279 | R | 94.4 | Very high | 93.5 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 36% | 0.362 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -32.1 | 179.3 | -171.7 | 175.2 | -176 | 164.7 | 6.6 | 113.7 | V230 S234 S275 R277 C283 | V230-R279 HydrophobicContact CG1-CB 4.38Å; V230-R279 HydrophobicContact CG1-CG 4.21Å; S234-R279 PolarHBondContact OG-NE 3.2Å; S234-R279 PolarHBondContact OG-NH2 3Å; S234-R279 VanDerWaalsContact OG-NH2 3.15Å; S275-R279 PolarHBondContact O-N 3.46Å; R277-R279 PolarHBondContact O-N 2.87Å; R279-C283 WeakPolarHBondContact O-CB 3.22Å; R279-C283 PolarHBondContact O-N 3.49Å |
| 280 | L | 95.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.3 | -44.6 | 172.8 | 176.9 | 56.5 | 0 | 0 | 0 | 110.5 | V230 L265 P271 L276 R277 S278 C283 L284 L316 | V230-L280 HydrophobicContact CG1-CB 4Å; V230-L280 HydrophobicContact CG2-CB 4.27Å; V230-L280 HydrophobicContact CG2-CD1 4.28Å; V230-L280 HydrophobicContact CG2-CD2 4.41Å; L265-L280 HydrophobicContact CD1-CD1 3.86Å; P271-L280 HydrophobicContact CG-CD2 4.15Å; L276-L280 PolarHBondContact O-N 2.85Å; L276-L280 VanDerWaalsContact O-N 3.08Å; R277-L280 WeakPolarHBondContact O-CA 3.32Å; R277-L280 WeakPolarHBondContact O-CB 3.32Å; R277-L280 PolarHBondContact O-N 2.9Å; S278-L280 VanDerWaalsContact C-N 3.32Å; S278-L280 PolarHBondContact O-N 3.34Å; L280-C283 VanDerWaalsContact O-CB 3.3Å; L280-C283 WeakPolarHBondContact O-CB 3.04Å; L280-C283 PolarHBondContact O-N 3.31Å; L280-C283 VanDerWaalsContact O-N 3.14Å; L280-L284 HydrophobicContact CD1-CD1 4.12Å; L280-L284 HydrophobicContact CD1-CG 4.17Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 WeakPolarHBondContact O-CG 3.42Å; L280-L284 PolarHBondContact O-N 3.18Å; L280-L316 HydrophobicContact CD1-CD2 4.22Å |
| 281 | S | 94.1 | Very high | 93.4 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.119 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 178.3 | -46.1 | 0 | 0 | 0 | 0 | 111.5 | R277 S278 C283 L284 E285 E323 | R277-S281 PolarHBondContact O-N 2.98Å; R277-S281 PolarHBondContact O-OG 3.18Å; R277-S281 VanDerWaalsContact O-OG 3.06Å; S278-S281 PolarHBondContact O-N 2.9Å; S281-C283 VanDerWaalsContact C-N 3.25Å; S281-C283 PolarHBondContact O-N 3.25Å; S281-L284 PolarHBondContact O-N 3Å; S281-L284 VanDerWaalsContact O-N 3.11Å; S281-E285 WeakPolarHBondContact O-CG 3.19Å; S281-E285 PolarHBondContact O-N 3.44Å; S281-E323 WeakPolarHBondContact CB-OE2 3.44Å; S281-E323 PolarHBondContact OG-OE1 2.9Å; S281-E323 PolarHBondContact OG-OE2 3.48Å; S281-E323 VanDerWaalsContact OG-OE2 3.13Å |
| 282 | E | 94.5 | Very high | 93.3 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.9 | -38 | 172 | -71.4 | 162.2 | -139 | 0 | 0 | 112.7 | S278 T286 | S278-E282 WeakPolarHBondContact O-CB 3.26Å; S278-E282 VanDerWaalsContact O-CG 3.3Å; S278-E282 WeakPolarHBondContact O-CG 3.43Å; S278-E282 PolarHBondContact O-N 2.92Å; S278-E282 PolarHBondContact OG-OE1 3.43Å; E282-T286 WeakPolarHBondContact O-CB 3.4Å; E282-T286 PolarHBondContact O-N 3.21Å; E282-T286 PolarHBondContact O-OG1 3.45Å |
| 283 | C | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.3 | -176 | 0 | 0 | 0 | 0 | 111.5 | V237 R279 L280 S281 T286 I287 | V237-C283 HydrophobicContact CG2-CB 4.5Å; V237-C283 WeakPolarHBondContact CG2-SG 3.27Å; R279-C283 WeakPolarHBondContact O-CB 3.22Å; R279-C283 PolarHBondContact O-N 3.49Å; L280-C283 VanDerWaalsContact O-CB 3.3Å; L280-C283 WeakPolarHBondContact O-CB 3.04Å; L280-C283 PolarHBondContact O-N 3.31Å; L280-C283 VanDerWaalsContact O-N 3.14Å; S281-C283 VanDerWaalsContact C-N 3.25Å; S281-C283 PolarHBondContact O-N 3.25Å; C283-T286 WeakPolarHBondContact O-CB 3.38Å; C283-T286 PolarHBondContact O-N 2.9Å; C283-I287 WeakPolarHBondContact O-CG1 3.48Å; C283-I287 PolarHBondContact O-N 3.47Å; C283-I287 VanDerWaalsContact O-N 3.07Å |
| 284 | L | 96.1 | Very high | 93.4 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.3 | -42.9 | 175.9 | -69 | 168.7 | 0 | 0 | 0 | 111.7 | L262 L280 S281 T286 I287 L288 A313 L316 I317 L326 | L262-L284 HydrophobicContact CD2-CD2 4.07Å; L280-L284 HydrophobicContact CD1-CD1 4.12Å; L280-L284 HydrophobicContact CD1-CG 4.17Å; L280-L284 HydrophobicContact CG-CD1 4.05Å; L280-L284 WeakPolarHBondContact O-CG 3.42Å; L280-L284 PolarHBondContact O-N 3.18Å; S281-L284 PolarHBondContact O-N 3Å; S281-L284 VanDerWaalsContact O-N 3.11Å; L284-T286 VanDerWaalsContact C-N 3.29Å; L284-T286 PolarHBondContact O-N 3.02Å; L284-I287 PolarHBondContact O-N 2.95Å; L284-I287 VanDerWaalsContact O-N 3.14Å; L284-L288 WeakPolarHBondContact O-CG 2.82Å; L284-L288 PolarHBondContact O-N 2.67Å; L284-A313 HydrophobicContact CD2-CB 3.76Å; L284-L316 HydrophobicContact CD2-CD2 4.37Å; L284-I317 HydrophobicContact CB-CD1 4.43Å; L284-I317 HydrophobicContact CD1-CG1 3.94Å; L284-I317 HydrophobicContact CD2-CD1 4.39Å; L284-I317 HydrophobicContact CD2-CG1 4.31Å; L284-L326 HydrophobicContact CB-CD1 4.01Å; L284-L326 HydrophobicContact CD1-CD1 3.89Å |
| 285 | E | 95 | Very high | 93.4 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -40.5 | 171.7 | -70.5 | -154.8 | 137.3 | 0 | 0 | 112 | S281 I287 L288 N289 N325 L326 R329 | S281-E285 WeakPolarHBondContact O-CG 3.19Å; S281-E285 PolarHBondContact O-N 3.44Å; E285-I287 VanDerWaalsContact C-N 3.32Å; E285-I287 PolarHBondContact O-N 2.91Å; E285-L288 PolarHBondContact O-N 3.14Å; E285-N289 WeakPolarHBondContact O-CB 3.5Å; E285-N289 PolarHBondContact O-N 2.81Å; E285-N289 PolarHBondContact O-ND2 3.35Å; E285-N289 PolarHBondContact O-OD1 2.87Å; E285-N325 PolarHBondContact OE1-ND2 3.49Å; E285-L326 HydrophobicContact CG-CD2 3.62Å; E285-R329 IonicContact OE1-NH1 2.67Å; E285-R329 PolarHBondContact OE1-NH1 2.93Å |
| 286 | T | 95.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 56.1 Ų | 56.1 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 175.6 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | V237 E282 C283 L284 K290 | V237-T286 HydrophobicContact CB-CG2 4.48Å; V237-T286 HydrophobicContact CG2-CG2 4.21Å; E282-T286 WeakPolarHBondContact O-CB 3.4Å; E282-T286 PolarHBondContact O-N 3.21Å; E282-T286 PolarHBondContact O-OG1 3.45Å; C283-T286 WeakPolarHBondContact O-CB 3.38Å; C283-T286 PolarHBondContact O-N 2.9Å; L284-T286 VanDerWaalsContact C-N 3.29Å; L284-T286 PolarHBondContact O-N 3.02Å; T286-K290 HydrophobicContact CG2-CD 4.4Å; T286-K290 WeakPolarHBondContact O-CB 3.5Å; T286-K290 WeakPolarHBondContact O-CG 3.35Å; T286-K290 PolarHBondContact O-N 3.46Å |
| 287 | I | 96.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 174.8 | -66.8 | 165.3 | 0 | 0 | 0 | 110.7 | V237 L262 C283 L284 E285 K290 A291 V309 L310 A313 | V237-I287 HydrophobicContact CG1-CD1 4.04Å; V237-I287 HydrophobicContact CG1-CG1 3.86Å; L262-I287 HydrophobicContact CD1-CD1 4.42Å; C283-I287 WeakPolarHBondContact O-CG1 3.48Å; C283-I287 PolarHBondContact O-N 3.47Å; C283-I287 VanDerWaalsContact O-N 3.07Å; L284-I287 PolarHBondContact O-N 2.95Å; L284-I287 VanDerWaalsContact O-N 3.14Å; E285-I287 VanDerWaalsContact C-N 3.32Å; E285-I287 PolarHBondContact O-N 2.91Å; I287-K290 PolarHBondContact O-N 3.03Å; I287-A291 PolarHBondContact O-N 3.41Å; I287-V309 HydrophobicContact CD1-CG1 4.24Å; I287-V309 HydrophobicContact CG1-CG1 4.49Å; I287-V309 HydrophobicContact CG2-CG1 4.32Å; I287-L310 HydrophobicContact CG2-CD1 4.26Å; I287-A313 HydrophobicContact CD1-CB 4.1Å; I287-A313 HydrophobicContact CG2-CB 3.92Å |
| 288 | L | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.3 | -42.8 | 176.2 | -69.6 | 168.5 | 0 | 0 | 0 | 112 | L284 E285 K290 A291 Q292 L310 I317 L326 R329 | L284-L288 WeakPolarHBondContact O-CG 2.82Å; L284-L288 PolarHBondContact O-N 2.67Å; E285-L288 PolarHBondContact O-N 3.14Å; L288-K290 VanDerWaalsContact C-N 3.35Å; L288-K290 PolarHBondContact O-N 3.2Å; L288-A291 VanDerWaalsContact O-CB 3.26Å; L288-A291 WeakPolarHBondContact O-CB 3.2Å; L288-A291 PolarHBondContact O-N 2.89Å; L288-A291 VanDerWaalsContact O-N 3.13Å; L288-Q292 PolarHBondContact O-N 3.3Å; L288-L310 HydrophobicContact CD2-CD1 3.86Å; L288-I317 HydrophobicContact CD1-CD1 4.29Å; L288-L326 HydrophobicContact CD1-CD2 4Å; L288-R329 HydrophobicContact CD1-CB 4.08Å |
| 289 | N | 95 | Very high | 93.4 | Very high | 69 Ų | 69 | 65.5 Ų | 65.5 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 175 | -67.9 | -17.6 | 0 | 0 | 0 | 110.9 | E285 A291 Q292 E293 R329 | E285-N289 WeakPolarHBondContact O-CB 3.5Å; E285-N289 PolarHBondContact O-N 2.81Å; E285-N289 PolarHBondContact O-ND2 3.35Å; E285-N289 PolarHBondContact O-OD1 2.87Å; N289-A291 PolarHBondContact O-N 3.37Å; N289-Q292 PolarHBondContact O-N 2.58Å; N289-Q292 VanDerWaalsContact O-N 3.09Å; N289-E293 PolarHBondContact O-N 3.08Å; N289-R329 PolarHBondContact OD1-NH2 3.02Å |
| 290 | K | 91.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.296 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -21.6 | 176.5 | -76 | -179.2 | 174.5 | -168.7 | 0 | 113.8 | V237 T286 I287 L288 E293 K306 | V237-K290 PolarHBondContact O-NZ 2.96Å; T286-K290 HydrophobicContact CG2-CD 4.4Å; T286-K290 WeakPolarHBondContact O-CB 3.5Å; T286-K290 WeakPolarHBondContact O-CG 3.35Å; T286-K290 PolarHBondContact O-N 3.46Å; I287-K290 PolarHBondContact O-N 3.03Å; L288-K290 VanDerWaalsContact C-N 3.35Å; L288-K290 PolarHBondContact O-N 3.2Å; K290-E293 WeakPolarHBondContact CG-OE1 3.48Å; K290-K306 WeakPolarHBondContact O-CD 3.44Å; K290-K306 WeakPolarHBondContact O-CE 3.49Å; K290-K306 PolarHBondContact O-NZ 2.83Å |
| 291 | A | 90.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 67 Ų | 67 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I287 L288 N289 K306 L310 Q333 | I287-A291 PolarHBondContact O-N 3.41Å; L288-A291 VanDerWaalsContact O-CB 3.26Å; L288-A291 WeakPolarHBondContact O-CB 3.2Å; L288-A291 PolarHBondContact O-N 2.89Å; L288-A291 VanDerWaalsContact O-N 3.13Å; N289-A291 PolarHBondContact O-N 3.37Å; A291-K306 PolarHBondContact O-NZ 3.26Å; A291-L310 HydrophobicContact CB-CD1 3.89Å; A291-L310 HydrophobicContact CB-CD2 3.53Å; A291-L310 HydrophobicContact CB-CG 4.3Å; A291-Q333 HydrophobicContact CB-CG 4.38Å |
| 292 | Q | 90 | Very high | 93.4 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.6 | -24.7 | -178.1 | -61.5 | 179 | -10.8 | 0 | 0 | 113.2 | L288 N289 | L288-Q292 PolarHBondContact O-N 3.3Å; N289-Q292 PolarHBondContact O-N 2.58Å; N289-Q292 VanDerWaalsContact O-N 3.09Å |
| 293 | E | 91.2 | Very high | 93.4 | Very high | 80 Ų | 80 | 62.7 Ų | 62.7 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -54.6 | 138.2 | 171.3 | -78.1 | 178.3 | -150 | 0 | 0 | 112.2 | N289 K290 K306 | N289-E293 PolarHBondContact O-N 3.08Å; K290-E293 WeakPolarHBondContact CG-OE1 3.48Å; E293-K306 PolarHBondContact O-NZ 2.92Å; E293-K306 VanDerWaalsContact O-NZ 3.12Å |
| 294 | P | 89.8 | Confident | 93.4 | Very high | 110 Ų | 110 | 66 Ų | 66 | 71% | 0.714 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 142.1 | 176.9 | 26 | -34.5 | 0 | 0 | 0 | 111 | K296 | P294-K296 PolarHBondContact O-N 3.19Š|
| 295 | P | 90.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 56% | 0.558 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 126 | -172.1 | 25.6 | -34.4 | 0 | 0 | 0 | 111.8 | S297 | P295-S297 PolarHBondContact O-N 2.94Š|
| 296 | K | 90.8 | Very high | 93.4 | Very high | 121 Ų | 121 | 64.9 Ų | 64.9 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -67.3 | -16.4 | 178.3 | -61.7 | -178.1 | -177 | 177.3 | 0 | 112.6 | F251 P294 H302 | F251-K296 HydrophobicContact CB-CB 4.35Å; P294-K296 PolarHBondContact O-N 3.19Å; K296-H302 PolarHBondContact N-NE2 3.24Å; K296-H302 VanDerWaalsContact N-NE2 3.13Å |
| 297 | S | 93 | Very high | 93.4 | Very high | 25 Ų | 25 | 63.3 Ų | 63.3 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | trans | -143.9 | 140.8 | 171.8 | -165 | 0 | 0 | 0 | 0 | 111.6 | P295 K299 H302 | P295-S297 PolarHBondContact O-N 2.94Å; S297-K299 PolarHBondContact O-N 3.44Å; S297-K299 PolarHBondContact OG-N 3.22Å; S297-H302 PolarHBondContact O-CD2 3.16Å | ||
| 298 | K | 91.6 | Very high | 93.4 | Very high | 217 Ų | 217 | 65 Ų | 65 | 94% | 0.943 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -74.7 | -4.2 | 172.9 | -62 | -176.6 | 179.4 | -179 | 0 | 113.6 | ||
| 299 | K | 94.4 | Very high | 93.5 | Very high | 124 Ų | 124 | 65.5 Ų | 65.5 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -75.5 | 128.3 | 179.6 | -64.4 | -172.2 | -179.6 | 178.7 | 0 | 110 | Y250 S297 Q301 H302 | Y250-K299 HydrophobicContact CD1-CB 4.13Å; Y250-K299 HydrophobicContact CD1-CD 4.08Å; Y250-K299 HydrophobicContact CE1-CB 4.11Å; Y250-K299 HydrophobicContact CE1-CD 3.61Å; S297-K299 PolarHBondContact O-N 3.44Å; S297-K299 PolarHBondContact OG-N 3.22Å; K299-Q301 PolarHBondContact O-N 3.48Å; K299-H302 WeakPolarHBondContact O-CB 3.38Å; K299-H302 PolarHBondContact O-N 2.98Å |
| 300 | V | 93.6 | Very high | 93.6 | Very high | 64 Ų | 64 | 62.3 Ų | 62.3 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.1 | -30 | -177.1 | 68 | 0 | 0 | 0 | 0 | 113.6 | H302 S303 N304 | V300-H302 VanDerWaalsContact C-N 3.26Å; V300-H302 PolarHBondContact O-N 3.1Å; V300-S303 WeakPolarHBondContact O-CB 3.21Å; V300-S303 PolarHBondContact O-N 3.3Å; V300-S303 VanDerWaalsContact O-N 3.15Å; V300-N304 PolarHBondContact O-N 3.34Å; V300-N304 PolarHBondContact O-OD1 3.08Å |
| 301 | Q | 94.8 | Very high | 93.9 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 32% | 0.318 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 175.9 | -64 | 76.4 | 19.6 | 0 | 0 | 113.1 | Y249 Y250 K299 A305 | Y249-Q301 HydrophobicContact CE1-CB 4Å; Y250-Q301 HydrophobicContact CD1-CB 3.64Å; Y250-Q301 HydrophobicContact CD2-CB 4.08Å; Y250-Q301 HydrophobicContact CE1-CB 3.6Å; Y250-Q301 HydrophobicContact CE1-CG 4Å; Y250-Q301 HydrophobicContact CE2-CB 4.09Å; Y250-Q301 HydrophobicContact CE2-CG 4.38Å; Y250-Q301 HydrophobicContact CG-CB 3.88Å; K299-Q301 PolarHBondContact O-N 3.48Å; Q301-A305 VanDerWaalsContact O-CB 3.22Å; Q301-A305 WeakPolarHBondContact O-CB 3.39Å; Q301-A305 PolarHBondContact O-N 2.9Å |
| 302 | H | 94.9 | Very high | 94.2 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 2% | 0.023 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.3 | -48.2 | 173.9 | 174.4 | 68.7 | 0 | 0 | 0 | 111 | Y250 K296 S297 K299 V300 A305 K306 | Y250-H302 PolarHBondContact O-ND1 3.05Å; K296-H302 PolarHBondContact N-NE2 3.24Å; K296-H302 VanDerWaalsContact N-NE2 3.13Å; S297-H302 PolarHBondContact O-CD2 3.16Å; K299-H302 WeakPolarHBondContact O-CB 3.38Å; K299-H302 PolarHBondContact O-N 2.98Å; V300-H302 VanDerWaalsContact C-N 3.26Å; V300-H302 PolarHBondContact O-N 3.1Å; H302-A305 PolarHBondContact O-N 3.28Å; H302-K306 WeakPolarHBondContact O-CB 3.38Å; H302-K306 PolarHBondContact O-N 2.98Å |
| 303 | S | 94.5 | Very high | 94.6 | Very high | 28 Ų | 28 | 56 Ų | 56 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.6 | -53 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 110.8 | V300 A305 K306 N307 | V300-S303 WeakPolarHBondContact O-CB 3.21Å; V300-S303 PolarHBondContact O-N 3.3Å; V300-S303 VanDerWaalsContact O-N 3.15Å; S303-A305 PolarHBondContact O-N 3.42Å; S303-K306 PolarHBondContact O-N 3.37Å; S303-N307 VanDerWaalsContact O-CB 3.31Å; S303-N307 WeakPolarHBondContact O-CB 3.49Å; S303-N307 PolarHBondContact O-N 3.48Å; S303-N307 PolarHBondContact O-ND2 2.88Å; S303-N307 PolarHBondContact OG-ND2 2.75Å |
| 304 | N | 95.7 | Very high | 94.8 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | -178.5 | -67.4 | 2.9 | 0 | 0 | 0 | 112.5 | V300 N307 A308 | V300-N304 PolarHBondContact O-N 3.34Å; V300-N304 PolarHBondContact O-OD1 3.08Å; N304-N307 PolarHBondContact O-N 3.38Å; N304-A308 VanDerWaalsContact O-CB 3.32Å; N304-A308 WeakPolarHBondContact O-CB 3.35Å; N304-A308 PolarHBondContact O-N 2.91Å |
| 305 | A | 95.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y249 V252 P255 Q301 H302 S303 | Y249-A305 HydrophobicContact CD1-CB 3.77Å; Y249-A305 HydrophobicContact CE1-CB 4.14Å; V252-A305 HydrophobicContact CB-CB 4.3Å; V252-A305 HydrophobicContact CG2-CB 4.03Å; P255-A305 HydrophobicContact CB-CB 4.27Å; P255-A305 HydrophobicContact CG-CB 4.23Å; Q301-A305 VanDerWaalsContact O-CB 3.22Å; Q301-A305 WeakPolarHBondContact O-CB 3.39Å; Q301-A305 PolarHBondContact O-N 2.9Å; H302-A305 PolarHBondContact O-N 3.28Å; S303-A305 PolarHBondContact O-N 3.42Å |
| 306 | K | 95.1 | Very high | 95.4 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -47.8 | 174.1 | -168.5 | 176.6 | 88.1 | 155.8 | 0 | 110.6 | V252 K290 A291 E293 H302 S303 A308 V309 L310 | V252-K306 HydrophobicContact CG2-CB 4.28Å; K290-K306 WeakPolarHBondContact O-CD 3.44Å; K290-K306 WeakPolarHBondContact O-CE 3.49Å; K290-K306 PolarHBondContact O-NZ 2.83Å; A291-K306 PolarHBondContact O-NZ 3.26Å; E293-K306 PolarHBondContact O-NZ 2.92Å; E293-K306 VanDerWaalsContact O-NZ 3.12Å; H302-K306 WeakPolarHBondContact O-CB 3.38Å; H302-K306 PolarHBondContact O-N 2.98Å; S303-K306 PolarHBondContact O-N 3.37Å; K306-A308 PolarHBondContact O-N 2.78Å; K306-V309 PolarHBondContact O-N 2.91Å; K306-L310 PolarHBondContact O-N 2.9Å; K306-L310 VanDerWaalsContact O-N 3.17Å |
| 307 | N | 95.9 | Very high | 95.6 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.2 | -30.9 | -176 | -63.8 | -11.7 | 0 | 0 | 0 | 112.1 | S303 N304 V309 L310 F311 L345 | S303-N307 VanDerWaalsContact O-CB 3.31Å; S303-N307 WeakPolarHBondContact O-CB 3.49Å; S303-N307 PolarHBondContact O-N 3.48Å; S303-N307 PolarHBondContact O-ND2 2.88Å; S303-N307 PolarHBondContact OG-ND2 2.75Å; N304-N307 PolarHBondContact O-N 3.38Å; N307-V309 VanDerWaalsContact C-N 3.35Å; N307-V309 PolarHBondContact O-N 2.68Å; N307-L310 WeakPolarHBondContact O-CB 3.48Å; N307-L310 PolarHBondContact O-N 3.16Å; N307-F311 HydrophobicContact CB-CD2 4.34Å; N307-F311 HydrophobicContact CB-CE2 4.37Å; N307-F311 VanDerWaalsContact O-CD2 3.22Å; N307-F311 WeakPolarHBondContact O-CD2 3.5Å; N307-F311 PolarHBondContact O-N 2.93Å; N307-L345 HydrophobicContact CB-CD2 4.19Å; N307-L345 WeakPolarHBondContact ND2-CD1 3.45Å; N307-L345 WeakPolarHBondContact ND2-CD2 3.28Å |
| 308 | A | 97.4 | Very high | 95.7 | Very high | 47 Ų | 47 | 39 Ų | 39 | 39% | 0.388 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V259 N304 K306 E312 | V259-A308 HydrophobicContact CG2-CB 4.36Å; N304-A308 VanDerWaalsContact O-CB 3.32Å; N304-A308 WeakPolarHBondContact O-CB 3.35Å; N304-A308 PolarHBondContact O-N 2.91Å; K306-A308 PolarHBondContact O-N 2.78Å; A308-E312 PolarHBondContact O-N 2.81Å |
| 309 | V | 97.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 174.7 | -178.9 | 0 | 0 | 0 | 0 | 111 | P255 V259 L262 I287 K306 N307 A313 | P255-V309 HydrophobicContact CB-CG2 3.9Å; V259-V309 HydrophobicContact CG2-CG2 4.19Å; L262-V309 HydrophobicContact CD1-CG1 4.14Å; I287-V309 HydrophobicContact CD1-CG1 4.24Å; I287-V309 HydrophobicContact CG1-CG1 4.49Å; I287-V309 HydrophobicContact CG2-CG1 4.32Å; K306-V309 PolarHBondContact O-N 2.91Å; N307-V309 VanDerWaalsContact C-N 3.35Å; N307-V309 PolarHBondContact O-N 2.68Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.95Å |
| 310 | L | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64 | -47.9 | 177.8 | 176.4 | 64.1 | 0 | 0 | 0 | 112.9 | I287 L288 A291 K306 N307 E312 A313 I314 Q333 F337 | I287-L310 HydrophobicContact CG2-CD1 4.26Å; L288-L310 HydrophobicContact CD2-CD1 3.86Å; A291-L310 HydrophobicContact CB-CD1 3.89Å; A291-L310 HydrophobicContact CB-CD2 3.53Å; A291-L310 HydrophobicContact CB-CG 4.3Å; K306-L310 PolarHBondContact O-N 2.9Å; K306-L310 VanDerWaalsContact O-N 3.17Å; N307-L310 WeakPolarHBondContact O-CB 3.48Å; N307-L310 PolarHBondContact O-N 3.16Å; L310-E312 VanDerWaalsContact C-N 3.34Å; L310-E312 PolarHBondContact O-N 2.82Å; L310-A313 WeakPolarHBondContact O-CB 3.5Å; L310-A313 PolarHBondContact O-N 3.4Å; L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.28Å; L310-I314 HydrophobicContact CG-CD1 3.95Å; L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.48Å; L310-Q333 HydrophobicContact CD2-CG 4.16Å; L310-F337 HydrophobicContact CD2-CE2 3.56Å; L310-F337 HydrophobicContact CD2-CZ 3.55Å |
| 311 | F | 97.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 179.1 | -83.6 | -69 | 0 | 0 | 0 | 111.7 | N307 A313 I314 A315 L334 F337 L345 L348 S352 | N307-F311 HydrophobicContact CB-CD2 4.34Å; N307-F311 HydrophobicContact CB-CE2 4.37Å; N307-F311 VanDerWaalsContact O-CD2 3.22Å; N307-F311 WeakPolarHBondContact O-CD2 3.5Å; N307-F311 PolarHBondContact O-N 2.93Å; F311-A313 VanDerWaalsContact C-N 3.33Å; F311-A313 PolarHBondContact O-N 3.38Å; F311-I314 PolarHBondContact O-N 2.87Å; F311-A315 WeakPolarHBondContact O-CB 3.31Å; F311-A315 PolarHBondContact O-N 3.35Å; F311-L334 HydrophobicContact CD1-CD2 4.22Å; F311-L334 HydrophobicContact CE1-CD2 3.59Å; F311-L334 HydrophobicContact CZ-CD2 4.41Å; F311-F337 HydrophobicContact CZ-CD2 4.01Å; F311-F337 HydrophobicContact CZ-CE2 4.3Å; F311-L345 HydrophobicContact CE2-CD2 3.99Å; F311-L348 HydrophobicContact CD1-CB 4.32Å; F311-L348 HydrophobicContact CD2-CB 4.45Å; F311-L348 HydrophobicContact CD2-CD1 4.17Å; F311-L348 HydrophobicContact CE1-CB 3.73Å; F311-L348 HydrophobicContact CE2-CB 3.89Å; F311-L348 HydrophobicContact CE2-CD1 3.98Å; F311-L348 HydrophobicContact CZ-CB 3.49Å; F311-L348 VanDerWaalsContact CZ-CB 3.49Å; F311-L348 HydrophobicContact CZ-CD1 4.46Å; F311-S352 WeakPolarHBondContact CD1-OG 3.37Å |
| 312 | E | 97.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 26.3 Ų | 26.3 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.5 | -30.9 | 175.4 | -160.2 | 71.8 | -127.7 | 0 | 0 | 112.5 | V259 L262 R263 Q266 A308 L310 L316 | V259-E312 HydrophobicContact CB-CG 4.44Å; V259-E312 HydrophobicContact CG1-CB 4.3Å; V259-E312 HydrophobicContact CG1-CG 3.98Å; V259-E312 HydrophobicContact CG2-CB 4.25Å; L262-E312 HydrophobicContact CB-CB 4.25Å; L262-E312 HydrophobicContact CB-CG 3.62Å; L262-E312 HydrophobicContact CD1-CB 4.1Å; L262-E312 HydrophobicContact CD1-CG 4.38Å; R263-E312 WeakPolarHBondContact CD-OE1 3.38Å; Q266-E312 PolarHBondContact NE2-O 3.21Å; Q266-E312 PolarHBondContact NE2-OE1 2.92Å; Q266-E312 PolarHBondContact OE1-OE1 2.67Å; A308-E312 PolarHBondContact O-N 2.81Å; L310-E312 VanDerWaalsContact C-N 3.34Å; L310-E312 PolarHBondContact O-N 2.82Å; E312-L316 PolarHBondContact O-N 3.48Å |
| 313 | A | 97.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.4 | -41.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L262 L284 I287 V309 L310 F311 A315 L316 I317 | L262-A313 HydrophobicContact CD1-CB 4Å; L262-A313 HydrophobicContact CD2-CB 4.28Å; L284-A313 HydrophobicContact CD2-CB 3.76Å; I287-A313 HydrophobicContact CD1-CB 4.1Å; I287-A313 HydrophobicContact CG2-CB 3.92Å; V309-A313 WeakPolarHBondContact O-CB 3.37Å; V309-A313 PolarHBondContact O-N 2.95Å; L310-A313 WeakPolarHBondContact O-CB 3.5Å; L310-A313 PolarHBondContact O-N 3.4Å; F311-A313 VanDerWaalsContact C-N 3.33Å; F311-A313 PolarHBondContact O-N 3.38Å; A313-A315 VanDerWaalsContact C-N 3.35Å; A313-L316 PolarHBondContact O-N 3.25Å; A313-I317 WeakPolarHBondContact O-CD1 3.47Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.4Å; A313-I317 PolarHBondContact O-N 3.35Å |
| 314 | I | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 172.8 | -70.8 | 172 | 0 | 0 | 0 | 110.5 | L310 F311 L316 I317 I318 A330 L334 | L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.28Å; L310-I314 HydrophobicContact CG-CD1 3.95Å; L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.48Å; F311-I314 PolarHBondContact O-N 2.87Å; I314-L316 VanDerWaalsContact C-N 3.32Å; I314-L316 PolarHBondContact O-N 2.9Å; I314-I317 PolarHBondContact O-N 3.11Å; I314-I318 HydrophobicContact CG2-CD1 3.67Å; I314-I318 HydrophobicContact CG2-CG1 4.36Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.41Å; I314-I318 PolarHBondContact O-N 2.67Å; I314-A330 HydrophobicContact CD1-CB 4.43Å; I314-A330 HydrophobicContact CG1-CB 3.95Å; I314-A330 HydrophobicContact CG2-CB 4.18Å; I314-L334 HydrophobicContact CD1-CD2 3.83Å; I314-L334 HydrophobicContact CD1-CG 4.19Å; I314-L334 HydrophobicContact CG2-CD1 4.18Å |
| 315 | A | 96.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 28% | 0.281 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.8 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F311 A313 H319 | F311-A315 WeakPolarHBondContact O-CB 3.31Å; F311-A315 PolarHBondContact O-N 3.35Å; A313-A315 VanDerWaalsContact C-N 3.35Å; A315-H319 VanDerWaalsContact O-CB 3.29Å; A315-H319 WeakPolarHBondContact O-CB 3.49Å; A315-H319 PolarHBondContact O-N 3.49Å |
| 316 | L | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.4 | -44 | 172.4 | -179.6 | 64.1 | 0 | 0 | 0 | 112 | L262 L265 Q266 L280 L284 E312 A313 I314 I318 H319 H320 | L262-L316 HydrophobicContact CD2-CD2 3.63Å; L265-L316 HydrophobicContact CB-CD1 3.82Å; L265-L316 HydrophobicContact CB-CD2 3.87Å; L265-L316 HydrophobicContact CD1-CD2 3.97Å; Q266-L316 HydrophobicContact CB-CD1 4.4Å; Q266-L316 HydrophobicContact CG-CB 4.02Å; Q266-L316 HydrophobicContact CG-CD1 3.63Å; Q266-L316 HydrophobicContact CG-CG 4.43Å; L280-L316 HydrophobicContact CD1-CD2 4.22Å; L284-L316 HydrophobicContact CD2-CD2 4.37Å; E312-L316 PolarHBondContact O-N 3.48Å; A313-L316 PolarHBondContact O-N 3.25Å; I314-L316 VanDerWaalsContact C-N 3.32Å; I314-L316 PolarHBondContact O-N 2.9Å; L316-I318 PolarHBondContact O-N 3.21Å; L316-H319 PolarHBondContact O-N 3.21Å; L316-H320 WeakPolarHBondContact O-CB 3.45Å; L316-H320 PolarHBondContact O-N 3.46Å |
| 317 | I | 95.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 29.7 Ų | 29.7 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 176.8 | -68.5 | 160.6 | 0 | 0 | 0 | 110.8 | L284 L288 A313 I314 H320 D321 L326 L327 | L284-I317 HydrophobicContact CB-CD1 4.43Å; L284-I317 HydrophobicContact CD1-CG1 3.94Å; L284-I317 HydrophobicContact CD2-CD1 4.39Å; L284-I317 HydrophobicContact CD2-CG1 4.31Å; L288-I317 HydrophobicContact CD1-CD1 4.29Å; A313-I317 WeakPolarHBondContact O-CD1 3.47Å; A313-I317 VanDerWaalsContact O-CG1 3.28Å; A313-I317 WeakPolarHBondContact O-CG1 3.4Å; A313-I317 PolarHBondContact O-N 3.35Å; I314-I317 PolarHBondContact O-N 3.11Å; I317-H320 PolarHBondContact O-N 2.85Å; I317-D321 PolarHBondContact O-N 3.47Å; I317-D321 VanDerWaalsContact O-N 3.09Å; I317-L326 HydrophobicContact CD1-CB 4.11Å; I317-L326 HydrophobicContact CD1-CD1 4.38Å; I317-L326 HydrophobicContact CG1-CB 4.16Å; I317-L326 HydrophobicContact CG1-CD1 4.12Å; I317-L326 HydrophobicContact CG2-CB 3.74Å; I317-L327 HydrophobicContact CG2-CD2 3.83Å; I317-L327 HydrophobicContact CG2-CG 3.94Å |
| 318 | I | 94.3 | Very high | 94.6 | Very high | 21 Ų | 21 | 31.9 Ų | 31.9 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.5 | -63.8 | 161.9 | 0 | 0 | 0 | 111.3 | I314 L316 L327 T355 L356 | I314-I318 HydrophobicContact CG2-CD1 3.67Å; I314-I318 HydrophobicContact CG2-CG1 4.36Å; I314-I318 VanDerWaalsContact O-CG1 3.28Å; I314-I318 WeakPolarHBondContact O-CG1 3.41Å; I314-I318 PolarHBondContact O-N 2.67Å; L316-I318 PolarHBondContact O-N 3.21Å; I318-L327 HydrophobicContact CG1-CD2 4.43Å; I318-T355 HydrophobicContact CG2-CG2 3.65Å; I318-L356 HydrophobicContact CD1-CB 3.85Å; I318-L356 HydrophobicContact CD1-CD1 3.97Å; I318-L356 HydrophobicContact CD1-CG 4.35Å; I318-L356 HydrophobicContact CG1-CB 4.03Å; I318-L356 HydrophobicContact CG1-CD1 3.84Å; I318-L356 HydrophobicContact CG1-CG 4.13Å |
| 319 | H | 94.1 | Very high | 94.5 | Very high | 75 Ų | 75 | 32 Ų | 32 | 35% | 0.347 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -69.1 | -32.7 | -179.8 | -178 | 60.2 | 0 | 0 | 0 | 113.3 | Q266 A315 L316 | Q266-H319 PolarHBondContact O-NE2 3.35Å; A315-H319 VanDerWaalsContact O-CB 3.29Å; A315-H319 WeakPolarHBondContact O-CB 3.49Å; A315-H319 PolarHBondContact O-N 3.49Å; L316-H319 PolarHBondContact O-N 3.21Å |
| 320 | H | 92.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 12% | 0.12 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.7 | -29.4 | 179.4 | -80.9 | -171.7 | 0 | 0 | 0 | 113.5 | Y268 P270 L316 I317 S322 | Y268-H320 PolarHBondContact O-NE2 2.99Å; P270-H320 HydrophobicContact CG-CB 3.88Å; L316-H320 WeakPolarHBondContact O-CB 3.45Å; L316-H320 PolarHBondContact O-N 3.46Å; I317-H320 PolarHBondContact O-N 2.85Å; H320-S322 WeakPolarHBondContact O-CB 3.29Å; H320-S322 PolarHBondContact O-N 3.2Å |
| 321 | D | 92.2 | Very high | 94.3 | Very high | 45 Ų | 45 | 31.3 Ų | 31.3 | 24% | 0.241 | 17% | 0.171 | C | C | . | . | trans | 47.9 | 29.4 | 172.7 | -157.3 | 31.7 | 0 | 0 | 0 | 115.2 | I317 L327 S359 F361 | I317-D321 PolarHBondContact O-N 3.47Å; I317-D321 VanDerWaalsContact O-N 3.09Å; D321-L327 WeakPolarHBondContact OD1-CD1 3.33Å; D321-S359 VanDerWaalsContact OD1-CB 3.25Å; D321-S359 WeakPolarHBondContact OD1-CB 3.44Å; D321-S359 PolarHBondContact OD1-OG 3.42Å; D321-F361 WeakPolarHBondContact O-CE2 3.27Å | ||
| 322 | S | 87.9 | Confident | 94.1 | Very high | 62 Ų | 62 | 33.6 Ų | 33.6 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | trans | -112.2 | -17.7 | -167.9 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | H320 | H320-S322 WeakPolarHBondContact O-CB 3.29Å; H320-S322 PolarHBondContact O-N 3.2Å | ||
| 323 | E | 89.3 | Confident | 93.9 | Very high | 59 Ų | 59 | 32 Ų | 32 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | trans | -126.1 | 95 | -175.3 | -69.3 | -167.6 | 174.4 | 0 | 0 | 111.4 | S281 N325 L326 L327 | S281-E323 WeakPolarHBondContact CB-OE2 3.44Å; S281-E323 PolarHBondContact OG-OE1 2.9Å; S281-E323 PolarHBondContact OG-OE2 3.48Å; S281-E323 VanDerWaalsContact OG-OE2 3.13Å; E323-N325 PolarHBondContact O-N 3.21Å; E323-N325 VanDerWaalsContact O-N 3.16Å; E323-L326 HydrophobicContact CB-CB 4.27Å; E323-L326 HydrophobicContact CB-CD1 4.29Å; E323-L326 HydrophobicContact CB-CG 4.15Å; E323-L326 PolarHBondContact O-N 3.36Å; E323-L326 WeakPolarHBondContact OE2-CD1 3.19Å; E323-L326 WeakPolarHBondContact OE2-CG 3.12Å; E323-L327 PolarHBondContact O-N 2.93Å; E323-L327 VanDerWaalsContact O-N 3.17Å | ||
| 324 | P | 91.5 | Very high | 93.8 | Very high | 61 Ų | 61 | 32 Ų | 32 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -55.9 | -34.3 | -177.4 | -29.2 | 36.4 | 0 | 0 | 0 | 114.3 | L326 L327 V328 F361 | P324-L326 PolarHBondContact O-N 3.16Å; P324-L327 PolarHBondContact O-N 2.95Å; P324-V328 VanDerWaalsContact O-CG2 3.32Å; P324-V328 WeakPolarHBondContact O-CG2 3.34Å; P324-V328 PolarHBondContact O-N 3.47Å; P324-F361 HydrophobicContact CB-CB 4.38Å; P324-F361 HydrophobicContact CG-CB 4.26Å; P324-F361 HydrophobicContact CG-CD1 4.01Å; P324-F361 HydrophobicContact CG-CG 4.11Å |
| 325 | N | 93.2 | Very high | 93.7 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 52% | 0.524 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.5 | -45.5 | 176 | -178.5 | 39.9 | 0 | 0 | 0 | 111.8 | E285 E323 R329 | E285-N325 PolarHBondContact OE1-ND2 3.49Å; E323-N325 PolarHBondContact O-N 3.21Å; E323-N325 VanDerWaalsContact O-N 3.16Å; N325-R329 WeakPolarHBondContact O-CB 3.5Å; N325-R329 VanDerWaalsContact O-CG 3.25Å; N325-R329 WeakPolarHBondContact O-CG 3.41Å; N325-R329 PolarHBondContact O-N 3.2Å |
| 326 | L | 94.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.9 | -40.1 | 177.6 | -66.3 | -170.4 | 0 | 0 | 0 | 111.7 | L284 E285 L288 I317 E323 P324 R329 A330 | L284-L326 HydrophobicContact CB-CD1 4.01Å; L284-L326 HydrophobicContact CD1-CD1 3.89Å; E285-L326 HydrophobicContact CG-CD2 3.62Å; L288-L326 HydrophobicContact CD1-CD2 4Å; I317-L326 HydrophobicContact CD1-CB 4.11Å; I317-L326 HydrophobicContact CD1-CD1 4.38Å; I317-L326 HydrophobicContact CG1-CB 4.16Å; I317-L326 HydrophobicContact CG1-CD1 4.12Å; I317-L326 HydrophobicContact CG2-CB 3.74Å; E323-L326 HydrophobicContact CB-CB 4.27Å; E323-L326 HydrophobicContact CB-CD1 4.29Å; E323-L326 HydrophobicContact CB-CG 4.15Å; E323-L326 PolarHBondContact O-N 3.36Å; E323-L326 WeakPolarHBondContact OE2-CD1 3.19Å; E323-L326 WeakPolarHBondContact OE2-CG 3.12Å; P324-L326 PolarHBondContact O-N 3.16Å; L326-R329 PolarHBondContact O-N 2.95Å; L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 3.31Å |
| 327 | L | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.5 | -46.7 | 176.9 | -73.5 | 163.6 | 0 | 0 | 0 | 112.1 | I317 I318 D321 E323 P324 A330 C331 F361 | I317-L327 HydrophobicContact CG2-CD2 3.83Å; I317-L327 HydrophobicContact CG2-CG 3.94Å; I318-L327 HydrophobicContact CG1-CD2 4.43Å; D321-L327 WeakPolarHBondContact OD1-CD1 3.33Å; E323-L327 PolarHBondContact O-N 2.93Å; E323-L327 VanDerWaalsContact O-N 3.17Å; P324-L327 PolarHBondContact O-N 2.95Å; L327-A330 PolarHBondContact O-N 2.66Å; L327-C331 WeakPolarHBondContact O-CB 3.27Å; L327-C331 PolarHBondContact O-N 3.24Å; L327-F361 HydrophobicContact CD1-CB 4.02Å; L327-F361 HydrophobicContact CD1-CD2 4.45Å |
| 328 | V | 94.1 | Very high | 93.3 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.4 | -43 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | P324 A330 C331 N332 A365 | P324-V328 VanDerWaalsContact O-CG2 3.32Å; P324-V328 WeakPolarHBondContact O-CG2 3.34Å; P324-V328 PolarHBondContact O-N 3.47Å; V328-A330 PolarHBondContact O-N 3.46Å; V328-C331 PolarHBondContact O-N 2.78Å; V328-N332 PolarHBondContact O-N 3.04Å; V328-N332 PolarHBondContact O-ND2 2.97Å; V328-A365 HydrophobicContact CG2-CB 4.37Å |
| 329 | R | 94.3 | Very high | 93.2 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 19% | 0.189 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.7 | -71.5 | -175.6 | 71.6 | -175.2 | 2 | 112.3 | E285 L288 N289 N325 L326 Q333 | E285-R329 IonicContact OE1-NH1 2.67Å; E285-R329 PolarHBondContact OE1-NH1 2.93Å; L288-R329 HydrophobicContact CD1-CB 4.08Å; N289-R329 PolarHBondContact OD1-NH2 3.02Å; N325-R329 WeakPolarHBondContact O-CB 3.5Å; N325-R329 VanDerWaalsContact O-CG 3.25Å; N325-R329 WeakPolarHBondContact O-CG 3.41Å; N325-R329 PolarHBondContact O-N 3.2Å; L326-R329 PolarHBondContact O-N 2.95Å; R329-Q333 WeakPolarHBondContact O-CB 3.38Å; R329-Q333 PolarHBondContact O-N 3.4Å |
| 330 | A | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -48.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I314 L326 L327 V328 N332 Q333 L334 L356 | I314-A330 HydrophobicContact CD1-CB 4.43Å; I314-A330 HydrophobicContact CG1-CB 3.95Å; I314-A330 HydrophobicContact CG2-CB 4.18Å; L326-A330 VanDerWaalsContact O-CB 3.27Å; L326-A330 WeakPolarHBondContact O-CB 3.29Å; L326-A330 PolarHBondContact O-N 3.31Å; L327-A330 PolarHBondContact O-N 2.66Å; V328-A330 PolarHBondContact O-N 3.46Å; A330-N332 PolarHBondContact O-N 2.65Å; A330-Q333 PolarHBondContact O-N 2.69Å; A330-Q333 VanDerWaalsContact O-N 3.11Å; A330-L334 WeakPolarHBondContact O-CG 3.5Å; A330-L334 PolarHBondContact O-N 2.74Å; A330-L356 HydrophobicContact CB-CD1 4.2Å |
| 331 | C | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.3 | -51.8 | 176.7 | -171.3 | 0 | 0 | 0 | 0 | 112 | L327 V328 Q333 L334 G335 L356 A365 | L327-C331 WeakPolarHBondContact O-CB 3.27Å; L327-C331 PolarHBondContact O-N 3.24Å; V328-C331 PolarHBondContact O-N 2.78Å; C331-Q333 VanDerWaalsContact C-N 3.28Å; C331-Q333 PolarHBondContact O-N 2.87Å; C331-L334 PolarHBondContact O-N 2.85Å; C331-L334 VanDerWaalsContact O-N 3.17Å; C331-G335 PolarHBondContact O-N 3.06Å; C331-L356 HydrophobicContact CB-CD1 4.38Å; C331-L356 HydrophobicContact CB-CD2 3.85Å; C331-A365 HydrophobicContact CB-CB 4.11Å; C331-A365 VanDerWaalsContact SG-C 3.52Å |
| 332 | N | 93.5 | Very high | 93.1 | Very high | 70 Ų | 70 | 53.1 Ų | 53.1 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -37.7 | 177.7 | -71.2 | -31 | 0 | 0 | 0 | 112.5 | V328 A330 G335 Q336 | V328-N332 PolarHBondContact O-N 3.04Å; V328-N332 PolarHBondContact O-ND2 2.97Å; A330-N332 PolarHBondContact O-N 2.65Å; N332-G335 PolarHBondContact O-N 2.92Å; N332-Q336 WeakPolarHBondContact O-CG 3.39Å; N332-Q336 PolarHBondContact O-N 3.38Å |
| 333 | Q | 94.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.023 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70 | -38 | 177.6 | -170.5 | 57 | 78.3 | 0 | 0 | 112.5 | A291 L310 R329 A330 C331 G335 F337 | A291-Q333 HydrophobicContact CB-CG 4.38Å; L310-Q333 HydrophobicContact CD2-CG 4.16Å; R329-Q333 WeakPolarHBondContact O-CB 3.38Å; R329-Q333 PolarHBondContact O-N 3.4Å; A330-Q333 PolarHBondContact O-N 2.69Å; A330-Q333 VanDerWaalsContact O-N 3.11Å; C331-Q333 VanDerWaalsContact C-N 3.28Å; C331-Q333 PolarHBondContact O-N 2.87Å; Q333-G335 VanDerWaalsContact C-N 3.35Å; Q333-F337 HydrophobicContact CG-CE2 4.11Å; Q333-F337 HydrophobicContact CG-CZ 4.4Å; Q333-F337 WeakPolarHBondContact O-CD2 3.43Å; Q333-F337 PolarHBondContact O-N 3.42Å |
| 334 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 171.5 | -62.5 | 175.9 | 0 | 0 | 0 | 111.1 | F311 I314 A330 C331 Q336 F337 L338 A349 M353 L356 | F311-L334 HydrophobicContact CD1-CD2 4.22Å; F311-L334 HydrophobicContact CE1-CD2 3.59Å; F311-L334 HydrophobicContact CZ-CD2 4.41Å; I314-L334 HydrophobicContact CD1-CD2 3.83Å; I314-L334 HydrophobicContact CD1-CG 4.19Å; I314-L334 HydrophobicContact CG2-CD1 4.18Å; A330-L334 WeakPolarHBondContact O-CG 3.5Å; A330-L334 PolarHBondContact O-N 2.74Å; C331-L334 PolarHBondContact O-N 2.85Å; C331-L334 VanDerWaalsContact O-N 3.17Å; L334-Q336 VanDerWaalsContact C-N 3.3Å; L334-Q336 PolarHBondContact O-N 3.04Å; L334-F337 HydrophobicContact CD2-CD2 4.43Å; L334-F337 WeakPolarHBondContact O-CA 3.43Å; L334-F337 WeakPolarHBondContact O-CB 3.13Å; L334-F337 PolarHBondContact O-N 3.39Å; L334-L338 PolarHBondContact O-N 2.87Å; L334-L338 VanDerWaalsContact O-N 3.12Å; L334-A349 HydrophobicContact CB-CB 4.45Å; L334-A349 HydrophobicContact CD2-CB 4.4Å; L334-M353 VanDerWaalsContact C-CE 3.46Å; L334-M353 HydrophobicContact CB-CE 3.61Å; L334-M353 HydrophobicContact CB-CG 3.85Å; L334-M353 HydrophobicContact CD1-CG 3.74Å; L334-M353 HydrophobicContact CG-CG 4.46Å; L334-L356 HydrophobicContact CD1-CD1 4.31Å |
| 335 | G | 93.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C331 N332 Q333 F337 L338 | C331-G335 PolarHBondContact O-N 3.06Å; N332-G335 PolarHBondContact O-N 2.92Å; Q333-G335 VanDerWaalsContact C-N 3.35Å; G335-F337 VanDerWaalsContact C-N 3.33Å; G335-F337 PolarHBondContact O-N 3.3Å; G335-L338 PolarHBondContact O-N 3.27Å |
| 336 | Q | 92.8 | Very high | 93.9 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.5 | -36.2 | 171.3 | -66.4 | 173.6 | 9.3 | 0 | 0 | 112.6 | N332 L334 Q339 | N332-Q336 WeakPolarHBondContact O-CG 3.39Å; N332-Q336 PolarHBondContact O-N 3.38Å; L334-Q336 VanDerWaalsContact C-N 3.3Å; L334-Q336 PolarHBondContact O-N 3.04Å; Q336-Q339 PolarHBondContact O-N 3.07Å |
| 337 | F | 94.8 | Very high | 94 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71 | -27.3 | 178.3 | -67.9 | -39.7 | 0 | 0 | 0 | 113.7 | L310 F311 Q333 L334 G335 Q339 H340 L345 R346 A349 | L310-F337 HydrophobicContact CD2-CE2 3.56Å; L310-F337 HydrophobicContact CD2-CZ 3.55Å; F311-F337 HydrophobicContact CZ-CD2 4.01Å; F311-F337 HydrophobicContact CZ-CE2 4.3Å; Q333-F337 HydrophobicContact CG-CE2 4.11Å; Q333-F337 HydrophobicContact CG-CZ 4.4Å; Q333-F337 WeakPolarHBondContact O-CD2 3.43Å; Q333-F337 PolarHBondContact O-N 3.42Å; L334-F337 HydrophobicContact CD2-CD2 4.43Å; L334-F337 WeakPolarHBondContact O-CA 3.43Å; L334-F337 WeakPolarHBondContact O-CB 3.13Å; L334-F337 PolarHBondContact O-N 3.39Å; G335-F337 VanDerWaalsContact C-N 3.33Å; G335-F337 PolarHBondContact O-N 3.3Å; F337-Q339 PolarHBondContact O-N 2.85Å; F337-H340 VanDerWaalsContact O-CB 3.25Å; F337-H340 WeakPolarHBondContact O-CB 3.48Å; F337-H340 PolarHBondContact O-N 3.38Å; F337-L345 HydrophobicContact CB-CB 4.5Å; F337-L345 HydrophobicContact CD1-CD1 4.29Å; F337-L345 HydrophobicContact CE1-CD1 4.45Å; F337-R346 VanDerWaalsContact O-CG 3.26Å; F337-R346 WeakPolarHBondContact O-CG 3.31Å; F337-A349 HydrophobicContact CB-CB 3.75Å |
| 338 | L | 92.9 | Very high | 94.1 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -29.7 | 173.1 | -62.8 | -177.3 | 0 | 0 | 0 | 112.9 | L334 G335 R346 A349 L350 M353 T372 V373 | L334-L338 PolarHBondContact O-N 2.87Å; L334-L338 VanDerWaalsContact O-N 3.12Å; G335-L338 PolarHBondContact O-N 3.27Å; L338-R346 WeakPolarHBondContact O-CD 3.41Å; L338-R346 WeakPolarHBondContact O-CG 3.46Å; L338-A349 HydrophobicContact CD2-CB 3.82Å; L338-A349 HydrophobicContact CG-CB 4.43Å; L338-L350 HydrophobicContact CD2-CD2 3.49Å; L338-L350 VanDerWaalsContact CD2-CD2 3.49Å; L338-L350 HydrophobicContact CD2-CG 3.62Å; L338-M353 HydrophobicContact CD1-CE 3.71Å; L338-M353 HydrophobicContact CD1-SD 3.82Å; L338-M353 HydrophobicContact CG-CE 4.12Å; L338-M353 HydrophobicContact CG-SD 4.45Å; L338-T372 HydrophobicContact CB-CG2 3.65Å; L338-T372 HydrophobicContact CD1-CG2 3.99Å; L338-V373 HydrophobicContact CD1-CG2 3.78Å |
| 339 | Q | 92.3 | Very high | 94.2 | Very high | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.2 | 178 | -58 | -176.9 | 2.9 | 0 | 0 | 112.7 | Q336 F337 T372 | Q336-Q339 PolarHBondContact O-N 3.07Å; F337-Q339 PolarHBondContact O-N 2.85Å; Q339-T372 HydrophobicContact CG-CG2 3.67Å; Q339-T372 PolarHBondContact NE2-OG1 2.99Å |
| 340 | H | 93.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 51 Ų | 51 | 33% | 0.329 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -75.4 | 148.8 | -177.3 | -165 | -99.7 | 0 | 0 | 0 | 112.3 | F337 E342 R346 | F337-H340 VanDerWaalsContact O-CB 3.25Å; F337-H340 WeakPolarHBondContact O-CB 3.48Å; F337-H340 PolarHBondContact O-N 3.38Å; H340-E342 IonicContact CE1-OE1 2.72Å; H340-E342 PolarHBondContact ND1-N 3.17Å; H340-E342 PolarHBondContact O-N 2.9Å; H340-E342 VanDerWaalsContact O-N 3.17Å; H340-R346 WeakPolarHBondContact O-CD 3.35Å; H340-R346 WeakPolarHBondContact O-CG 3.47Å; H340-R346 PolarHBondContact O-NE 3.08Å; H340-R346 VanDerWaalsContact O-NE 3.08Å |
| 341 | R | 91 | Very high | 94.3 | Very high | 239 Ų | 239 | 54.3 Ų | 54.3 | 90% | 0.902 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -68.1 | -14.9 | -177.5 | -63.1 | -178.2 | -179.8 | -176.4 | -0.7 | 114.6 | ||
| 342 | E | 92.4 | Very high | 94.2 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | trans | -93.5 | 116.5 | -178.5 | -68.4 | 178.1 | -172.3 | 0 | 0 | 111 | H340 N344 L345 R346 | H340-E342 IonicContact CE1-OE1 2.72Å; H340-E342 PolarHBondContact ND1-N 3.17Å; H340-E342 PolarHBondContact O-N 2.9Å; H340-E342 VanDerWaalsContact O-N 3.17Å; E342-N344 PolarHBondContact O-N 3.22Å; E342-L345 HydrophobicContact CB-CB 4.47Å; E342-L345 HydrophobicContact CB-CD1 4.39Å; E342-L345 HydrophobicContact CB-CG 4.22Å; E342-L345 PolarHBondContact O-N 3.2Å; E342-L345 VanDerWaalsContact O-N 3.12Å; E342-L345 WeakPolarHBondContact OE2-CD1 3.43Å; E342-R346 PolarHBondContact O-N 3.07Å | ||
| 343 | T | 94.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 51.9 Ų | 51.9 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -54.2 | -37.5 | 176.2 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | L345 R346 Y347 D382 V385 | T343-L345 VanDerWaalsContact C-N 3.33Å; T343-L345 PolarHBondContact O-N 3.08Å; T343-R346 PolarHBondContact O-N 3.06Å; T343-R346 PolarHBondContact OG1-NH2 2.91Å; T343-R346 VanDerWaalsContact OG1-NH2 3.07Å; T343-Y347 WeakPolarHBondContact O-CB 3.4Å; T343-Y347 PolarHBondContact O-N 3.33Å; T343-D382 HydrophobicContact CG2-CB 4.29Å; T343-V385 HydrophobicContact CG2-CG2 3.68Å |
| 344 | N | 95.1 | Very high | 94.3 | Very high | 115 Ų | 115 | 53 Ų | 53 | 62% | 0.615 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.1 | -38.1 | 178.9 | -63.5 | -5.2 | 0 | 0 | 0 | 112.7 | E342 L348 | E342-N344 PolarHBondContact O-N 3.22Å; N344-L348 WeakPolarHBondContact O-CG 3.46Å; N344-L348 PolarHBondContact O-N 2.92Å; N344-L348 VanDerWaalsContact O-N 3.13Å |
| 345 | L | 94.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.2 | -36.8 | 177.8 | -62.5 | -176.8 | 0 | 0 | 0 | 111.4 | N307 F311 F337 E342 T343 L348 A349 | N307-L345 HydrophobicContact CB-CD2 4.19Å; N307-L345 WeakPolarHBondContact ND2-CD1 3.45Å; N307-L345 WeakPolarHBondContact ND2-CD2 3.28Å; F311-L345 HydrophobicContact CE2-CD2 3.99Å; F337-L345 HydrophobicContact CB-CB 4.5Å; F337-L345 HydrophobicContact CD1-CD1 4.29Å; F337-L345 HydrophobicContact CE1-CD1 4.45Å; E342-L345 HydrophobicContact CB-CB 4.47Å; E342-L345 HydrophobicContact CB-CD1 4.39Å; E342-L345 HydrophobicContact CB-CG 4.22Å; E342-L345 PolarHBondContact O-N 3.2Å; E342-L345 VanDerWaalsContact O-N 3.12Å; E342-L345 WeakPolarHBondContact OE2-CD1 3.43Å; T343-L345 VanDerWaalsContact C-N 3.33Å; T343-L345 PolarHBondContact O-N 3.08Å; L345-L348 PolarHBondContact O-N 3.1Å; L345-A349 WeakPolarHBondContact O-CB 3.45Å; L345-A349 PolarHBondContact O-N 3.29Å |
| 346 | R | 95.2 | Very high | 94 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 17% | 0.166 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 173.2 | -67.9 | -176.1 | -74.4 | 155.4 | 19.8 | 111.5 | F337 L338 H340 E342 T343 A349 L350 E380 | F337-R346 VanDerWaalsContact O-CG 3.26Å; F337-R346 WeakPolarHBondContact O-CG 3.31Å; L338-R346 WeakPolarHBondContact O-CD 3.41Å; L338-R346 WeakPolarHBondContact O-CG 3.46Å; H340-R346 WeakPolarHBondContact O-CD 3.35Å; H340-R346 WeakPolarHBondContact O-CG 3.47Å; H340-R346 PolarHBondContact O-NE 3.08Å; H340-R346 VanDerWaalsContact O-NE 3.08Å; E342-R346 PolarHBondContact O-N 3.07Å; T343-R346 PolarHBondContact O-N 3.06Å; T343-R346 PolarHBondContact OG1-NH2 2.91Å; T343-R346 VanDerWaalsContact OG1-NH2 3.07Å; R346-A349 PolarHBondContact O-N 3.35Å; R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.1Å; R346-E380 WeakPolarHBondContact CD-OE1 3.33Å; R346-E380 IonicContact CZ-OE1 2.72Å; R346-E380 IonicContact CZ-OE2 2.9Å; R346-E380 IonicContact NE-OE1 2.76Å; R346-E380 PolarHBondContact NE-OE1 3.21Å; R346-E380 VanDerWaalsContact NE-OE1 3.17Å; R346-E380 IonicContact NH1-OE1 3.87Å; R346-E380 PolarHBondContact NH1-OE1 3.05Å; R346-E380 IonicContact NH1-OE2 2.66Å; R346-E380 PolarHBondContact NH1-OE2 3.37Å; R346-E380 VanDerWaalsContact NH2-CD 3.32Å; R346-E380 IonicContact NH2-OE1 2.71Å; R346-E380 PolarHBondContact NH2-OE1 3.28Å; R346-E380 IonicContact NH2-OE2 3.17Å; R346-E380 PolarHBondContact NH2-OE2 3.12Å |
| 347 | Y | 96.2 | Very high | 94 | Very high | 60 Ų | 60 | 51.5 Ų | 51.5 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -54.9 | 174.1 | 179.2 | -87.4 | 0 | 0 | 0 | 112.4 | T343 A349 L350 E351 V385 R388 | T343-Y347 WeakPolarHBondContact O-CB 3.4Å; T343-Y347 PolarHBondContact O-N 3.33Å; Y347-A349 VanDerWaalsContact C-N 3.28Å; Y347-A349 PolarHBondContact O-N 3.24Å; Y347-L350 PolarHBondContact O-N 3.03Å; Y347-E351 VanDerWaalsContact CE1-OE2 3.29Å; Y347-E351 WeakPolarHBondContact CE1-OE2 3.44Å; Y347-E351 PolarHBondContact O-N 2.93Å; Y347-V385 HydrophobicContact CD2-CG2 4.22Å; Y347-R388 HydrophobicContact CD2-CG 4.09Å; Y347-R388 HydrophobicContact CE2-CG 3.62Å; Y347-R388 PolarHBondContact OH-NE 3.29Å; Y347-R388 PolarHBondContact OH-NH2 3.41Å |
| 348 | L | 96.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -31.5 | -178.1 | -70.6 | 171.9 | 0 | 0 | 0 | 112.7 | F311 N344 L345 S352 | F311-L348 HydrophobicContact CD1-CB 4.32Å; F311-L348 HydrophobicContact CD2-CB 4.45Å; F311-L348 HydrophobicContact CD2-CD1 4.17Å; F311-L348 HydrophobicContact CE1-CB 3.73Å; F311-L348 HydrophobicContact CE2-CB 3.89Å; F311-L348 HydrophobicContact CE2-CD1 3.98Å; F311-L348 HydrophobicContact CZ-CB 3.49Å; F311-L348 VanDerWaalsContact CZ-CB 3.49Å; F311-L348 HydrophobicContact CZ-CD1 4.46Å; N344-L348 WeakPolarHBondContact O-CG 3.46Å; N344-L348 PolarHBondContact O-N 2.92Å; N344-L348 VanDerWaalsContact O-N 3.13Å; L345-L348 PolarHBondContact O-N 3.1Å; L348-S352 WeakPolarHBondContact O-CB 3.33Å; L348-S352 PolarHBondContact O-N 3.08Å; L348-S352 PolarHBondContact O-OG 3.15Å |
| 349 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L334 F337 L338 L345 R346 Y347 S352 M353 | L334-A349 HydrophobicContact CB-CB 4.45Å; L334-A349 HydrophobicContact CD2-CB 4.4Å; F337-A349 HydrophobicContact CB-CB 3.75Å; L338-A349 HydrophobicContact CD2-CB 3.82Å; L338-A349 HydrophobicContact CG-CB 4.43Å; L345-A349 WeakPolarHBondContact O-CB 3.45Å; L345-A349 PolarHBondContact O-N 3.29Å; R346-A349 PolarHBondContact O-N 3.35Å; Y347-A349 VanDerWaalsContact C-N 3.28Å; Y347-A349 PolarHBondContact O-N 3.24Å; A349-S352 PolarHBondContact O-N 2.92Å; A349-M353 VanDerWaalsContact O-CB 3.31Å; A349-M353 WeakPolarHBondContact O-CB 3.34Å; A349-M353 WeakPolarHBondContact O-CG 3.46Å; A349-M353 PolarHBondContact O-N 3.11Å |
| 350 | L | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 173.7 | -67.5 | 168 | 0 | 0 | 0 | 111.7 | L338 R346 Y347 C354 V373 V385 R388 A389 L392 | L338-L350 HydrophobicContact CD2-CD2 3.49Å; L338-L350 VanDerWaalsContact CD2-CD2 3.49Å; L338-L350 HydrophobicContact CD2-CG 3.62Å; R346-L350 WeakPolarHBondContact O-CG 3.39Å; R346-L350 PolarHBondContact O-N 3.1Å; Y347-L350 PolarHBondContact O-N 3.03Å; L350-C354 WeakPolarHBondContact O-CB 3.4Å; L350-C354 PolarHBondContact O-N 3.18Å; L350-V373 HydrophobicContact CD2-CG1 4.12Å; L350-V373 HydrophobicContact CD2-CG2 4.35Å; L350-V385 HydrophobicContact CD1-CG1 3.57Å; L350-V385 WeakPolarHBondContact CD1-O 3.42Å; L350-R388 HydrophobicContact CB-CB 3.78Å; L350-R388 HydrophobicContact CD1-CB 4.13Å; L350-A389 HydrophobicContact CD1-CB 4.12Å; L350-A389 HydrophobicContact CD2-CB 4.28Å; L350-L392 HydrophobicContact CD2-CD2 3.56Å |
| 351 | E | 94.7 | Very high | 92.7 | Very high | 68 Ų | 68 | 58.9 Ų | 58.9 | 32% | 0.318 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 177.8 | 178.8 | 160.6 | -140.9 | 0 | 0 | 112.2 | Y347 C354 R388 | Y347-E351 VanDerWaalsContact CE1-OE2 3.29Å; Y347-E351 WeakPolarHBondContact CE1-OE2 3.44Å; Y347-E351 PolarHBondContact O-N 2.93Å; E351-C354 WeakPolarHBondContact O-CB 3.42Å; E351-C354 PolarHBondContact O-N 2.99Å; E351-R388 VanDerWaalsContact CD-NH2 3.3Å; E351-R388 IonicContact OE1-CZ 2.69Å; E351-R388 IonicContact OE1-NH1 2.8Å; E351-R388 PolarHBondContact OE1-NH1 2.8Å; E351-R388 IonicContact OE1-NH2 2.74Å; E351-R388 PolarHBondContact OE1-NH2 2.86Å; E351-R388 IonicContact OE2-NH2 3.2Å |
| 352 | S | 94.7 | Very high | 92.6 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.2 | -39.7 | 178.5 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | F311 L348 A349 C354 T355 L356 | F311-S352 WeakPolarHBondContact CD1-OG 3.37Å; L348-S352 WeakPolarHBondContact O-CB 3.33Å; L348-S352 PolarHBondContact O-N 3.08Å; L348-S352 PolarHBondContact O-OG 3.15Å; A349-S352 PolarHBondContact O-N 2.92Å; S352-C354 VanDerWaalsContact C-N 3.27Å; S352-C354 PolarHBondContact O-N 3.34Å; S352-T355 PolarHBondContact O-N 3.3Å; S352-L356 WeakPolarHBondContact O-CB 3.25Å; S352-L356 PolarHBondContact O-N 3.41Å; S352-L356 VanDerWaalsContact O-N 3.11Å |
| 353 | M | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -35.3 | 173.9 | -80.8 | -164.4 | -179.7 | 0 | 0 | 112.1 | L334 L338 A349 T355 L356 A357 H369 L392 | L334-M353 VanDerWaalsContact C-CE 3.46Å; L334-M353 HydrophobicContact CB-CE 3.61Å; L334-M353 HydrophobicContact CB-CG 3.85Å; L334-M353 HydrophobicContact CD1-CG 3.74Å; L334-M353 HydrophobicContact CG-CG 4.46Å; L338-M353 HydrophobicContact CD1-CE 3.71Å; L338-M353 HydrophobicContact CD1-SD 3.82Å; L338-M353 HydrophobicContact CG-CE 4.12Å; L338-M353 HydrophobicContact CG-SD 4.45Å; A349-M353 VanDerWaalsContact O-CB 3.31Å; A349-M353 WeakPolarHBondContact O-CB 3.34Å; A349-M353 WeakPolarHBondContact O-CG 3.46Å; A349-M353 PolarHBondContact O-N 3.11Å; M353-T355 PolarHBondContact O-N 3.36Å; M353-L356 CarbonylContact O-C 3.53Å; M353-L356 PolarHBondContact O-N 3Å; M353-L356 VanDerWaalsContact O-N 3.15Å; M353-A357 WeakPolarHBondContact O-CB 3.47Å; M353-A357 PolarHBondContact O-N 3.36Å; M353-H369 HydrophobicContact CE-CB 4.44Å; M353-L392 HydrophobicContact CB-CD1 3.7Å; M353-L392 HydrophobicContact CB-CD2 3.7Å; M353-L392 HydrophobicContact CB-CG 4.37Å; M353-L392 HydrophobicContact CG-CD2 4.43Å; M353-L392 HydrophobicContact SD-CD2 3.83Å |
| 354 | C | 93.8 | Very high | 92.1 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -32.1 | -180 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | L350 E351 S352 L392 | L350-C354 WeakPolarHBondContact O-CB 3.4Å; L350-C354 PolarHBondContact O-N 3.18Å; E351-C354 WeakPolarHBondContact O-CB 3.42Å; E351-C354 PolarHBondContact O-N 2.99Å; S352-C354 VanDerWaalsContact C-N 3.27Å; S352-C354 PolarHBondContact O-N 3.34Å; C354-L392 HydrophobicContact CB-CD1 4.5Å |
| 355 | T | 91.3 | Very high | 91.9 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -75.7 | -41.5 | 171.9 | -41.3 | 0 | 0 | 0 | 0 | 111.4 | I318 S352 M353 A357 S358 | I318-T355 HydrophobicContact CG2-CG2 3.65Å; S352-T355 PolarHBondContact O-N 3.3Å; M353-T355 PolarHBondContact O-N 3.36Å; T355-A357 VanDerWaalsContact C-N 3.27Å; T355-A357 PolarHBondContact O-N 2.88Å; T355-S358 WeakPolarHBondContact O-CB 3.37Å; T355-S358 PolarHBondContact O-N 3.28Å |
| 356 | L | 92.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -25.4 | 179.9 | -165.6 | 148.7 | 0 | 0 | 0 | 113 | I318 A330 C331 L334 S352 M353 S358 S359 S362 V366 | I318-L356 HydrophobicContact CD1-CB 3.85Å; I318-L356 HydrophobicContact CD1-CD1 3.97Å; I318-L356 HydrophobicContact CD1-CG 4.35Å; I318-L356 HydrophobicContact CG1-CB 4.03Å; I318-L356 HydrophobicContact CG1-CD1 3.84Å; I318-L356 HydrophobicContact CG1-CG 4.13Å; A330-L356 HydrophobicContact CB-CD1 4.2Å; C331-L356 HydrophobicContact CB-CD1 4.38Å; C331-L356 HydrophobicContact CB-CD2 3.85Å; L334-L356 HydrophobicContact CD1-CD1 4.31Å; S352-L356 WeakPolarHBondContact O-CB 3.25Å; S352-L356 PolarHBondContact O-N 3.41Å; S352-L356 VanDerWaalsContact O-N 3.11Å; M353-L356 CarbonylContact O-C 3.53Å; M353-L356 PolarHBondContact O-N 3Å; M353-L356 VanDerWaalsContact O-N 3.15Å; L356-S358 PolarHBondContact O-N 3.42Å; L356-S359 PolarHBondContact O-N 3.22Å; L356-S362 VanDerWaalsContact CD2-CB 3.47Å; L356-S362 WeakPolarHBondContact CD2-OG 3.22Å; L356-S362 PolarHBondContact O-OG 3.11Å; L356-V366 HydrophobicContact CD2-CG2 3.31Å |
| 357 | A | 91.5 | Very high | 91.7 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | M353 T355 H363 V366 L392 A395 | M353-A357 WeakPolarHBondContact O-CB 3.47Å; M353-A357 PolarHBondContact O-N 3.36Å; T355-A357 VanDerWaalsContact C-N 3.27Å; T355-A357 PolarHBondContact O-N 2.88Å; A357-H363 PolarHBondContact O-ND1 2.96Å; A357-V366 HydrophobicContact CB-CG1 4.22Å; A357-V366 HydrophobicContact CB-CG2 4.46Å; A357-L392 HydrophobicContact CB-CD1 4.28Å; A357-A395 HydrophobicContact CB-CB 3.99Å |
| 358 | S | 87.9 | Confident | 91.5 | Very high | 101 Ų | 101 | 46.1 Ų | 46.1 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.4 | 177.8 | -55.3 | 0 | 0 | 0 | 0 | 113.8 | T355 L356 | T355-S358 WeakPolarHBondContact O-CB 3.37Å; T355-S358 PolarHBondContact O-N 3.28Å; L356-S358 PolarHBondContact O-N 3.42Å |
| 359 | S | 88.5 | Confident | 91.4 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | trans | -84.5 | 132.4 | 174.6 | 162.1 | 0 | 0 | 0 | 0 | 110.8 | D321 L356 F361 S362 H363 | D321-S359 VanDerWaalsContact OD1-CB 3.25Å; D321-S359 WeakPolarHBondContact OD1-CB 3.44Å; D321-S359 PolarHBondContact OD1-OG 3.42Å; L356-S359 PolarHBondContact O-N 3.22Å; S359-F361 VanDerWaalsContact C-N 3.31Å; S359-F361 PolarHBondContact O-N 2.96Å; S359-F361 PolarHBondContact OG-N 3.17Å; S359-S362 WeakPolarHBondContact CB-OG 3.21Å; S359-S362 PolarHBondContact O-N 3.45Å; S359-S362 PolarHBondContact OG-OG 3.02Å; S359-H363 WeakPolarHBondContact O-CB 3.43Å; S359-H363 PolarHBondContact O-N 3.24Å; S359-H363 VanDerWaalsContact O-N 3.09Å | ||
| 360 | E | 83.9 | Confident | 91.3 | Very high | 172 Ų | 172 | 45.2 Ų | 45.2 | 80% | 0.804 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -38.1 | 178.1 | -62.3 | -177.6 | 174.4 | 0 | 0 | 112.1 | S362 | E360-S362 VanDerWaalsContact C-N 3.34Å; E360-S362 PolarHBondContact O-N 3.29Å |
| 361 | F | 86.3 | Confident | 91.2 | Very high | 115 Ų | 115 | 50.4 Ų | 50.4 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -26.3 | -175.6 | -59.4 | -66.1 | 0 | 0 | 0 | 113.7 | D321 P324 L327 S359 | D321-F361 WeakPolarHBondContact O-CE2 3.27Å; P324-F361 HydrophobicContact CB-CB 4.38Å; P324-F361 HydrophobicContact CG-CB 4.26Å; P324-F361 HydrophobicContact CG-CD1 4.01Å; P324-F361 HydrophobicContact CG-CG 4.11Å; L327-F361 HydrophobicContact CD1-CB 4.02Å; L327-F361 HydrophobicContact CD1-CD2 4.45Å; S359-F361 VanDerWaalsContact C-N 3.31Å; S359-F361 PolarHBondContact O-N 2.96Å; S359-F361 PolarHBondContact OG-N 3.17Å |
| 362 | S | 88.5 | Confident | 91.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -4.2 | -176.7 | 51.5 | 0 | 0 | 0 | 0 | 115.6 | L356 S359 E360 E364 A365 V366 | L356-S362 VanDerWaalsContact CD2-CB 3.47Å; L356-S362 WeakPolarHBondContact CD2-OG 3.22Å; L356-S362 PolarHBondContact O-OG 3.11Å; S359-S362 WeakPolarHBondContact CB-OG 3.21Å; S359-S362 PolarHBondContact O-N 3.45Å; S359-S362 PolarHBondContact OG-OG 3.02Å; E360-S362 VanDerWaalsContact C-N 3.34Å; E360-S362 PolarHBondContact O-N 3.29Å; S362-E364 VanDerWaalsContact C-N 3.3Å; S362-E364 PolarHBondContact O-N 3.31Å; S362-A365 WeakPolarHBondContact O-CB 3.08Å; S362-A365 PolarHBondContact O-N 3.06Å; S362-V366 PolarHBondContact O-N 3.49Å |
| 363 | H | 87.8 | Confident | 91.2 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 19% | 0.19 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.3 | -44.9 | -178.7 | -168.3 | 76.6 | 0 | 0 | 0 | 112.7 | A357 S359 A365 V366 K367 | A357-H363 PolarHBondContact O-ND1 2.96Å; S359-H363 WeakPolarHBondContact O-CB 3.43Å; S359-H363 PolarHBondContact O-N 3.24Å; S359-H363 VanDerWaalsContact O-N 3.09Å; H363-A365 PolarHBondContact O-N 3.41Å; H363-V366 PolarHBondContact O-N 3.27Å; H363-K367 WeakPolarHBondContact CD2-CE 3.42Å; H363-K367 PolarHBondContact CD2-NZ 2.82Å; H363-K367 VanDerWaalsContact CD2-NZ 3.28Å; H363-K367 WeakPolarHBondContact NE2-CE 3.12Å; H363-K367 PolarHBondContact NE2-NZ 2.89Å; H363-K367 PolarHBondContact O-N 2.97Å |
| 364 | E | 89.1 | Confident | 91.1 | Very high | 121 Ų | 121 | 47.8 Ų | 47.8 | 57% | 0.565 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -66.2 | -35 | 176 | -65.2 | -52.5 | 119.6 | 0 | 0 | 113.4 | S362 V366 K367 T368 | S362-E364 VanDerWaalsContact C-N 3.3Å; S362-E364 PolarHBondContact O-N 3.31Å; E364-V366 VanDerWaalsContact C-N 3.34Å; E364-V366 PolarHBondContact O-N 3.48Å; E364-K367 PolarHBondContact O-N 3.21Å; E364-K367 IonicContact OE1-NZ 2.7Å; E364-K367 PolarHBondContact OE1-NZ 2.66Å; E364-K367 IonicContact OE2-NZ 2.69Å; E364-T368 PolarHBondContact O-N 3Å |
| 365 | A | 91.1 | Very high | 90.9 | Very high | 17 Ų | 17 | 49.3 Ų | 49.3 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | V328 C331 S362 H363 T368 | V328-A365 HydrophobicContact CG2-CB 4.37Å; C331-A365 HydrophobicContact CB-CB 4.11Å; C331-A365 VanDerWaalsContact SG-C 3.52Å; S362-A365 WeakPolarHBondContact O-CB 3.08Å; S362-A365 PolarHBondContact O-N 3.06Å; H363-A365 PolarHBondContact O-N 3.41Å; A365-T368 PolarHBondContact O-N 3.13Å; A365-T368 PolarHBondContact O-OG1 3.05Å |
| 366 | V | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | L356 A357 S362 H363 E364 T368 H369 L392 M396 | L356-V366 HydrophobicContact CD2-CG2 3.31Å; A357-V366 HydrophobicContact CB-CG1 4.22Å; A357-V366 HydrophobicContact CB-CG2 4.46Å; S362-V366 PolarHBondContact O-N 3.49Å; H363-V366 PolarHBondContact O-N 3.27Å; E364-V366 VanDerWaalsContact C-N 3.34Å; E364-V366 PolarHBondContact O-N 3.48Å; V366-T368 PolarHBondContact O-N 3.49Å; V366-H369 PolarHBondContact O-N 3.29Å; V366-L392 HydrophobicContact CG1-CD1 4.04Å; V366-M396 HydrophobicContact CG1-CB 4.04Å; V366-M396 HydrophobicContact CG1-CE 3.87Å; V366-M396 HydrophobicContact CG1-SD 4.42Å |
| 367 | K | 91.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57 | -32.2 | 178.9 | -72.1 | 176.8 | -173 | 166.2 | 0 | 113.1 | H363 E364 H369 I370 D398 | H363-K367 WeakPolarHBondContact CD2-CE 3.42Å; H363-K367 PolarHBondContact CD2-NZ 2.82Å; H363-K367 VanDerWaalsContact CD2-NZ 3.28Å; H363-K367 WeakPolarHBondContact NE2-CE 3.12Å; H363-K367 PolarHBondContact NE2-NZ 2.89Å; H363-K367 PolarHBondContact O-N 2.97Å; E364-K367 PolarHBondContact O-N 3.21Å; E364-K367 IonicContact OE1-NZ 2.7Å; E364-K367 PolarHBondContact OE1-NZ 2.66Å; E364-K367 IonicContact OE2-NZ 2.69Å; K367-H369 PolarHBondContact O-N 3.24Å; K367-I370 WeakPolarHBondContact O-CB 3.08Å; K367-I370 VanDerWaalsContact O-CG2 3.25Å; K367-I370 WeakPolarHBondContact O-CG2 3.39Å; K367-I370 PolarHBondContact O-N 3.36Å; K367-D398 WeakPolarHBondContact CE-OD2 3.38Å; K367-D398 VanDerWaalsContact NZ-CG 3.35Å; K367-D398 IonicContact NZ-OD2 3.95Å; K367-D398 PolarHBondContact NZ-OD2 3.29Å |
| 368 | T | 92.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 60% | 0.595 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.7 | 176.8 | 73.4 | 0 | 0 | 0 | 0 | 113.7 | E364 A365 V366 | E364-T368 PolarHBondContact O-N 3Å; A365-T368 PolarHBondContact O-N 3.13Å; A365-T368 PolarHBondContact O-OG1 3.05Å; V366-T368 PolarHBondContact O-N 3.49Å |
| 369 | H | 94.1 | Very high | 90.7 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 14% | 0.139 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 4.7 | 179.8 | -60.2 | -44.7 | 0 | 0 | 0 | 114.1 | M353 V366 K367 E371 T372 V373 | M353-H369 HydrophobicContact CE-CB 4.44Å; V366-H369 PolarHBondContact O-N 3.29Å; K367-H369 PolarHBondContact O-N 3.24Å; H369-E371 VanDerWaalsContact C-N 3.32Å; H369-E371 PolarHBondContact O-N 3.06Å; H369-T372 WeakPolarHBondContact O-CA 3.28Å; H369-T372 WeakPolarHBondContact O-CB 3.43Å; H369-T372 PolarHBondContact O-N 3.41Å; H369-V373 PolarHBondContact O-N 2.71Å |
| 370 | I | 94.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -50.5 | -46.6 | -176.2 | -169.1 | 172.7 | 0 | 0 | 0 | 113.1 | K367 T372 V373 I374 L393 M396 N401 I405 | K367-I370 WeakPolarHBondContact O-CB 3.08Å; K367-I370 VanDerWaalsContact O-CG2 3.25Å; K367-I370 WeakPolarHBondContact O-CG2 3.39Å; K367-I370 PolarHBondContact O-N 3.36Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.9Å; I370-V373 PolarHBondContact O-N 3.19Å; I370-V373 VanDerWaalsContact O-N 3.08Å; I370-I374 HydrophobicContact CG1-CD1 3.9Å; I370-I374 HydrophobicContact CG1-CG1 4.46Å; I370-I374 WeakPolarHBondContact O-CG1 3.33Å; I370-I374 PolarHBondContact O-N 3.33Å; I370-L393 HydrophobicContact CG1-CD2 4.08Å; I370-M396 HydrophobicContact CB-SD 3.92Å; I370-M396 HydrophobicContact CD1-SD 4.29Å; I370-M396 HydrophobicContact CG1-SD 3.88Å; I370-N401 HydrophobicContact CD1-CB 4.02Å; I370-I405 HydrophobicContact CD1-CD1 3.89Å; I370-I405 HydrophobicContact CD1-CG1 3.8Å |
| 371 | E | 93.5 | Very high | 90.9 | Very high | 110 Ų | 110 | 53.7 Ų | 53.7 | 51% | 0.514 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -34.8 | 177.7 | -63.4 | -57.7 | 152.6 | 0 | 0 | 112.9 | H369 S375 Q404 | H369-E371 VanDerWaalsContact C-N 3.32Å; H369-E371 PolarHBondContact O-N 3.06Å; E371-S375 WeakPolarHBondContact O-CB 3.48Å; E371-S375 PolarHBondContact O-N 3.48Å; E371-Q404 PolarHBondContact OE1-NE2 2.93Å |
| 372 | T | 93.8 | Very high | 91.1 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 17% | 0.172 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 176.1 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | L338 Q339 H369 I370 A376 | L338-T372 HydrophobicContact CB-CG2 3.65Å; L338-T372 HydrophobicContact CD1-CG2 3.99Å; Q339-T372 HydrophobicContact CG-CG2 3.67Å; Q339-T372 PolarHBondContact NE2-OG1 2.99Å; H369-T372 WeakPolarHBondContact O-CA 3.28Å; H369-T372 WeakPolarHBondContact O-CB 3.43Å; H369-T372 PolarHBondContact O-N 3.41Å; I370-T372 VanDerWaalsContact C-N 3.29Å; I370-T372 PolarHBondContact O-N 2.9Å; T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 3.35Å |
| 373 | V | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.3 | -41.2 | 176.2 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | L338 L350 H369 I370 S375 A376 L377 A389 L392 L393 M396 | L338-V373 HydrophobicContact CD1-CG2 3.78Å; L350-V373 HydrophobicContact CD2-CG1 4.12Å; L350-V373 HydrophobicContact CD2-CG2 4.35Å; H369-V373 PolarHBondContact O-N 2.71Å; I370-V373 PolarHBondContact O-N 3.19Å; I370-V373 VanDerWaalsContact O-N 3.08Å; V373-S375 VanDerWaalsContact C-N 3.34Å; V373-A376 PolarHBondContact O-N 3.5Å; V373-L377 PolarHBondContact O-N 3.07Å; V373-A389 HydrophobicContact CG1-CB 4.04Å; V373-L392 HydrophobicContact CG1-CD2 4.04Å; V373-L392 HydrophobicContact CG1-CG 4.32Å; V373-L392 HydrophobicContact CG2-CD2 3.6Å; V373-L392 HydrophobicContact CG2-CG 4.39Å; V373-L393 HydrophobicContact CB-CD2 4.29Å; V373-L393 HydrophobicContact CG1-CD1 4.39Å; V373-L393 HydrophobicContact CG1-CD2 3.97Å; V373-L393 HydrophobicContact CG1-CG 3.78Å; V373-M396 HydrophobicContact CB-CE 4.39Å; V373-M396 HydrophobicContact CG2-CE 4Å |
| 374 | I | 92.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 173 | -66.6 | 163.9 | 0 | 0 | 0 | 110.2 | I370 A376 L377 K378 L393 Q404 E408 | I370-I374 HydrophobicContact CG1-CD1 3.9Å; I370-I374 HydrophobicContact CG1-CG1 4.46Å; I370-I374 WeakPolarHBondContact O-CG1 3.33Å; I370-I374 PolarHBondContact O-N 3.33Å; I374-A376 PolarHBondContact O-N 3.46Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.33Å; I374-K378 HydrophobicContact CG2-CD 4.28Å; I374-K378 WeakPolarHBondContact O-CG 3.29Å; I374-K378 PolarHBondContact O-N 2.93Å; I374-K378 VanDerWaalsContact O-N 3.08Å; I374-L393 HydrophobicContact CG1-CD1 4.38Å; I374-L393 HydrophobicContact CG1-CD2 4.04Å; I374-Q404 HydrophobicContact CD1-CG 4.39Å; I374-E408 HydrophobicContact CD1-CG 4.2Å; I374-E408 HydrophobicContact CG1-CG 4.44Å; I374-E408 HydrophobicContact CG2-CB 4.43Å; I374-E408 HydrophobicContact CG2-CG 3.96Å |
| 375 | S | 91.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 42% | 0.42 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -42 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 112 | E371 V373 K378 T379 | E371-S375 WeakPolarHBondContact O-CB 3.48Å; E371-S375 PolarHBondContact O-N 3.48Å; V373-S375 VanDerWaalsContact C-N 3.34Å; S375-K378 PolarHBondContact O-N 3.38Å; S375-T379 WeakPolarHBondContact O-CB 3.39Å; S375-T379 WeakPolarHBondContact O-CG2 3.49Å; S375-T379 PolarHBondContact O-N 3.12Å; S375-T379 PolarHBondContact O-OG1 3.24Å |
| 376 | A | 90.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | T372 V373 I374 K378 T379 E380 | T372-A376 WeakPolarHBondContact O-CB 3.42Å; T372-A376 PolarHBondContact O-N 3.35Å; V373-A376 PolarHBondContact O-N 3.5Å; I374-A376 PolarHBondContact O-N 3.46Å; A376-K378 VanDerWaalsContact C-N 3.31Å; A376-K378 PolarHBondContact O-N 2.94Å; A376-T379 PolarHBondContact O-N 3.03Å; A376-E380 HydrophobicContact CB-CG 4.45Å; A376-E380 WeakPolarHBondContact O-CB 2.86Å; A376-E380 WeakPolarHBondContact O-CG 3.48Å; A376-E380 PolarHBondContact O-N 3.3Å |
| 377 | L | 90.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.3 | -43.6 | 177 | -179.2 | 59.9 | 0 | 0 | 0 | 112.3 | V373 I374 R386 A389 V390 L393 Y412 | V373-L377 PolarHBondContact O-N 3.07Å; I374-L377 WeakPolarHBondContact O-CB 3.3Å; I374-L377 PolarHBondContact O-N 3.33Å; L377-R386 HydrophobicContact CD1-CB 3.94Å; L377-R386 HydrophobicContact CD1-CG 4.34Å; L377-A389 HydrophobicContact CB-CB 4.09Å; L377-A389 HydrophobicContact CD1-CB 4.29Å; L377-V390 HydrophobicContact CD1-CG2 3.7Å; L377-V390 HydrophobicContact CD2-CG2 4.14Å; L377-L393 HydrophobicContact CD2-CD1 3.92Å; L377-Y412 HydrophobicContact CD1-CD1 3.75Å; L377-Y412 HydrophobicContact CD1-CD2 4.24Å; L377-Y412 HydrophobicContact CD1-CE1 3.72Å; L377-Y412 HydrophobicContact CD1-CE2 4.26Å; L377-Y412 HydrophobicContact CD1-CG 4.02Å; L377-Y412 HydrophobicContact CD2-CD1 4.15Å; L377-Y412 HydrophobicContact CD2-CG 4.12Å; L377-Y412 HydrophobicContact CG-CD1 4.21Å; L377-Y412 HydrophobicContact CG-CD2 4.34Å; L377-Y412 HydrophobicContact CG-CG 4.06Å |
| 378 | K | 87.8 | Confident | 91.4 | Very high | 110 Ų | 110 | 55 Ų | 55 | 48% | 0.478 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74.9 | -41.5 | -179.6 | -70.3 | 176.9 | 178.4 | 174.6 | 0 | 113.7 | I374 S375 A376 E408 | I374-K378 HydrophobicContact CG2-CD 4.28Å; I374-K378 WeakPolarHBondContact O-CG 3.29Å; I374-K378 PolarHBondContact O-N 2.93Å; I374-K378 VanDerWaalsContact O-N 3.08Å; S375-K378 PolarHBondContact O-N 3.38Å; A376-K378 VanDerWaalsContact C-N 3.31Å; A376-K378 PolarHBondContact O-N 2.94Å; K378-E408 WeakPolarHBondContact CE-OE2 3.28Å; K378-E408 IonicContact NZ-OE1 2.78Å; K378-E408 PolarHBondContact NZ-OE1 3.18Å; K378-E408 IonicContact NZ-OE2 2.78Å; K378-E408 PolarHBondContact NZ-OE2 2.92Å |
| 379 | T | 88.9 | Confident | 91.5 | Very high | 94 Ų | 94 | 50.4 Ų | 50.4 | 58% | 0.577 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -93.4 | -24 | -168.5 | 60.4 | 0 | 0 | 0 | 0 | 114.3 | S375 A376 | S375-T379 WeakPolarHBondContact O-CB 3.39Å; S375-T379 WeakPolarHBondContact O-CG2 3.49Å; S375-T379 PolarHBondContact O-N 3.12Å; S375-T379 PolarHBondContact O-OG1 3.24Å; A376-T379 PolarHBondContact O-N 3.03Å |
| 380 | E | 89.1 | Confident | 91.4 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | trans | -66.1 | 150.7 | 179 | -73.7 | -77.2 | -147.2 | 0 | 0 | 111.9 | R346 A376 V385 R386 | R346-E380 WeakPolarHBondContact CD-OE1 3.33Å; R346-E380 IonicContact CZ-OE1 2.72Å; R346-E380 IonicContact CZ-OE2 2.9Å; R346-E380 IonicContact NE-OE1 2.76Å; R346-E380 PolarHBondContact NE-OE1 3.21Å; R346-E380 VanDerWaalsContact NE-OE1 3.17Å; R346-E380 IonicContact NH1-OE1 3.87Å; R346-E380 PolarHBondContact NH1-OE1 3.05Å; R346-E380 IonicContact NH1-OE2 2.66Å; R346-E380 PolarHBondContact NH1-OE2 3.37Å; R346-E380 VanDerWaalsContact NH2-CD 3.32Å; R346-E380 IonicContact NH2-OE1 2.71Å; R346-E380 PolarHBondContact NH2-OE1 3.28Å; R346-E380 IonicContact NH2-OE2 3.17Å; R346-E380 PolarHBondContact NH2-OE2 3.12Å; A376-E380 HydrophobicContact CB-CG 4.45Å; A376-E380 WeakPolarHBondContact O-CB 2.86Å; A376-E380 WeakPolarHBondContact O-CG 3.48Å; A376-E380 PolarHBondContact O-N 3.3Å; E380-V385 HydrophobicContact CB-CG1 4.45Å; E380-V385 HydrophobicContact CG-CB 4.43Å; E380-V385 HydrophobicContact CG-CG1 3.82Å; E380-V385 WeakPolarHBondContact OE1-CG1 3.26Å; E380-R386 HydrophobicContact CB-CG 4.22Å; E380-R386 PolarHBondContact O-NE 3.32Å; E380-R386 PolarHBondContact O-NH2 3.32Å | ||
| 381 | R | 88.5 | Confident | 91.4 | Very high | 230 Ų | 230 | 49.2 Ų | 49.2 | 87% | 0.868 | 24% | 0.242 | S | C | * | . | trans | -101.3 | -20.7 | 174.8 | -61.6 | -176.7 | -175.8 | -179.4 | 0.2 | 113.3 | ||||
| 382 | D | 90.7 | Very high | 91.4 | Very high | 70 Ų | 70 | 44 Ų | 44 | 37% | 0.374 | 22% | 0.217 | S | C | . | . | trans | -86.2 | 124.5 | -175.8 | -171.8 | -73.6 | 0 | 0 | 0 | 110.9 | T343 S384 V385 R386 | T343-D382 HydrophobicContact CG2-CB 4.29Å; D382-S384 VanDerWaalsContact C-N 3.31Å; D382-S384 PolarHBondContact O-N 3.24Å; D382-S384 WeakPolarHBondContact OD1-CA 3.32Å; D382-S384 VanDerWaalsContact OD1-CB 3.31Å; D382-S384 WeakPolarHBondContact OD1-CB 3.31Å; D382-S384 PolarHBondContact OD1-N 3.17Å; D382-S384 PolarHBondContact OD1-OG 2.72Å; D382-V385 HydrophobicContact CB-CB 4.27Å; D382-V385 HydrophobicContact CB-CG2 3.83Å; D382-V385 PolarHBondContact O-N 2.86Å; D382-V385 PolarHBondContact OD1-N 3Å; D382-R386 WeakPolarHBondContact O-CG 3.15Å; D382-R386 PolarHBondContact O-N 2.89Å; D382-R386 VanDerWaalsContact O-N 3.1Å | ||
| 383 | V | 88.7 | Confident | 91.5 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.5 | -34.2 | -176.2 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | R386 Q387 I420 | V383-R386 PolarHBondContact O-N 3.47Å; V383-Q387 VanDerWaalsContact O-CG 3.28Å; V383-Q387 WeakPolarHBondContact O-CG 3.38Å; V383-Q387 PolarHBondContact O-N 3.3Å; V383-I420 HydrophobicContact CG1-CD1 4.26Å; V383-I420 HydrophobicContact CG1-CG2 4.24Å |
| 384 | S | 91.3 | Very high | 91.4 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 32% | 0.315 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 178.5 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | D382 Q387 R388 | D382-S384 VanDerWaalsContact C-N 3.31Å; D382-S384 PolarHBondContact O-N 3.24Å; D382-S384 WeakPolarHBondContact OD1-CA 3.32Å; D382-S384 VanDerWaalsContact OD1-CB 3.31Å; D382-S384 WeakPolarHBondContact OD1-CB 3.31Å; D382-S384 PolarHBondContact OD1-N 3.17Å; D382-S384 PolarHBondContact OD1-OG 2.72Å; S384-Q387 PolarHBondContact O-N 3.35Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å; S384-R388 PolarHBondContact O-N 2.77Å; S384-R388 VanDerWaalsContact O-N 3.08Å |
| 385 | V | 92.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.5 | -43.3 | 173.9 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | T343 Y347 L350 E380 D382 Q387 R388 A389 | T343-V385 HydrophobicContact CG2-CG2 3.68Å; Y347-V385 HydrophobicContact CD2-CG2 4.22Å; L350-V385 HydrophobicContact CD1-CG1 3.57Å; L350-V385 WeakPolarHBondContact CD1-O 3.42Å; E380-V385 HydrophobicContact CB-CG1 4.45Å; E380-V385 HydrophobicContact CG-CB 4.43Å; E380-V385 HydrophobicContact CG-CG1 3.82Å; E380-V385 WeakPolarHBondContact OE1-CG1 3.26Å; D382-V385 HydrophobicContact CB-CB 4.27Å; D382-V385 HydrophobicContact CB-CG2 3.83Å; D382-V385 PolarHBondContact O-N 2.86Å; D382-V385 PolarHBondContact OD1-N 3Å; V385-Q387 PolarHBondContact O-N 3.06Å; V385-R388 PolarHBondContact O-N 3.45Å; V385-A389 PolarHBondContact O-N 3.2Å |
| 386 | R | 90.4 | Very high | 91.4 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 174.7 | -67.6 | 177.2 | 179.9 | -177.9 | -12.9 | 112.1 | L377 E380 D382 V383 R388 A389 V390 Y412 | L377-R386 HydrophobicContact CD1-CB 3.94Å; L377-R386 HydrophobicContact CD1-CG 4.34Å; E380-R386 HydrophobicContact CB-CG 4.22Å; E380-R386 PolarHBondContact O-NE 3.32Å; E380-R386 PolarHBondContact O-NH2 3.32Å; D382-R386 WeakPolarHBondContact O-CG 3.15Å; D382-R386 PolarHBondContact O-N 2.89Å; D382-R386 VanDerWaalsContact O-N 3.1Å; V383-R386 PolarHBondContact O-N 3.47Å; R386-R388 PolarHBondContact O-N 3.01Å; R386-A389 WeakPolarHBondContact O-CB 3.47Å; R386-A389 PolarHBondContact O-N 3.05Å; R386-V390 WeakPolarHBondContact O-CG2 3.1Å; R386-V390 PolarHBondContact O-N 2.98Å; R386-Y412 VanDerWaalsContact CD-OH 3.27Å; R386-Y412 WeakPolarHBondContact CD-OH 3.42Å |
| 387 | Q | 90.3 | Very high | 91.6 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 35% | 0.346 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56 | -47.6 | 173.3 | -75.5 | 167.9 | -6.1 | 0 | 0 | 111.6 | V383 S384 V385 A389 V390 D391 I420 | V383-Q387 VanDerWaalsContact O-CG 3.28Å; V383-Q387 WeakPolarHBondContact O-CG 3.38Å; V383-Q387 PolarHBondContact O-N 3.3Å; S384-Q387 PolarHBondContact O-N 3.35Å; V385-Q387 PolarHBondContact O-N 3.06Å; Q387-A389 VanDerWaalsContact C-N 3.33Å; Q387-A389 PolarHBondContact O-N 2.57Å; Q387-V390 PolarHBondContact O-N 3.2Å; Q387-D391 PolarHBondContact O-N 3.49Å; Q387-I420 HydrophobicContact CG-CG2 3.71Å |
| 388 | R | 93.6 | Very high | 91.6 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66 | -32 | 177.5 | -65.5 | -52.2 | -169.1 | 144.7 | 11 | 113.4 | Y347 L350 E351 S384 V385 R386 D391 L392 | Y347-R388 HydrophobicContact CD2-CG 4.09Å; Y347-R388 HydrophobicContact CE2-CG 3.62Å; Y347-R388 PolarHBondContact OH-NE 3.29Å; Y347-R388 PolarHBondContact OH-NH2 3.41Å; L350-R388 HydrophobicContact CB-CB 3.78Å; L350-R388 HydrophobicContact CD1-CB 4.13Å; E351-R388 VanDerWaalsContact CD-NH2 3.3Å; E351-R388 IonicContact OE1-CZ 2.69Å; E351-R388 IonicContact OE1-NH1 2.8Å; E351-R388 PolarHBondContact OE1-NH1 2.8Å; E351-R388 IonicContact OE1-NH2 2.74Å; E351-R388 PolarHBondContact OE1-NH2 2.86Å; E351-R388 IonicContact OE2-NH2 3.2Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å; S384-R388 PolarHBondContact O-N 2.77Å; S384-R388 VanDerWaalsContact O-N 3.08Å; V385-R388 PolarHBondContact O-N 3.45Å; R386-R388 PolarHBondContact O-N 3.01Å; R388-D391 PolarHBondContact O-N 2.81Å; R388-L392 WeakPolarHBondContact O-CB 3.41Å; R388-L392 PolarHBondContact O-N 2.93Å |
| 389 | A | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L350 V373 L377 V385 R386 Q387 L392 L393 | L350-A389 HydrophobicContact CD1-CB 4.12Å; L350-A389 HydrophobicContact CD2-CB 4.28Å; V373-A389 HydrophobicContact CG1-CB 4.04Å; L377-A389 HydrophobicContact CB-CB 4.09Å; L377-A389 HydrophobicContact CD1-CB 4.29Å; V385-A389 PolarHBondContact O-N 3.2Å; R386-A389 WeakPolarHBondContact O-CB 3.47Å; R386-A389 PolarHBondContact O-N 3.05Å; Q387-A389 VanDerWaalsContact C-N 3.33Å; Q387-A389 PolarHBondContact O-N 2.57Å; A389-L392 PolarHBondContact O-N 3.31Å; A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 VanDerWaalsContact O-CG 3.29Å; A389-L393 WeakPolarHBondContact O-CG 3.36Å; A389-L393 PolarHBondContact O-N 3.49Å |
| 390 | V | 92.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.3 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | L377 R386 Q387 L393 Y394 M409 Y412 I424 K427 | L377-V390 HydrophobicContact CD1-CG2 3.7Å; L377-V390 HydrophobicContact CD2-CG2 4.14Å; R386-V390 WeakPolarHBondContact O-CG2 3.1Å; R386-V390 PolarHBondContact O-N 2.98Å; Q387-V390 PolarHBondContact O-N 3.2Å; V390-L393 PolarHBondContact O-N 2.98Å; V390-Y394 WeakPolarHBondContact O-CB 3.19Å; V390-Y394 PolarHBondContact O-N 3.31Å; V390-M409 HydrophobicContact CG1-CE 4.02Å; V390-M409 HydrophobicContact CG1-SD 4.46Å; V390-Y412 HydrophobicContact CG2-CD1 4.13Å; V390-Y412 HydrophobicContact CG2-CE1 4.09Å; V390-I424 HydrophobicContact CG1-CG1 4.23Å; V390-K427 HydrophobicContact CG1-CD 3.95Å |
| 391 | D | 93.1 | Very high | 92 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.112 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 173.7 | -86.3 | -36.5 | 0 | 0 | 0 | 111.7 | Q387 R388 Y394 A395 K427 K620 | Q387-D391 PolarHBondContact O-N 3.49Å; R388-D391 PolarHBondContact O-N 2.81Å; D391-Y394 WeakPolarHBondContact O-CB 3.2Å; D391-Y394 PolarHBondContact O-N 3.31Å; D391-A395 WeakPolarHBondContact O-CB 3.25Å; D391-A395 PolarHBondContact O-N 3Å; D391-K427 IonicContact OD1-NZ 2.84Å; D391-K427 PolarHBondContact OD1-NZ 2.85Å; D391-K620 IonicContact OD1-NZ 3.76Å; D391-K620 PolarHBondContact OD1-NZ 3.09Å |
| 392 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 179.6 | 174.7 | 57.4 | 0 | 0 | 0 | 112.1 | L350 M353 C354 A357 V366 V373 R388 A389 Y394 A395 M396 | L350-L392 HydrophobicContact CD2-CD2 3.56Å; M353-L392 HydrophobicContact CB-CD1 3.7Å; M353-L392 HydrophobicContact CB-CD2 3.7Å; M353-L392 HydrophobicContact CB-CG 4.37Å; M353-L392 HydrophobicContact CG-CD2 4.43Å; M353-L392 HydrophobicContact SD-CD2 3.83Å; C354-L392 HydrophobicContact CB-CD1 4.5Å; A357-L392 HydrophobicContact CB-CD1 4.28Å; V366-L392 HydrophobicContact CG1-CD1 4.04Å; V373-L392 HydrophobicContact CG1-CD2 4.04Å; V373-L392 HydrophobicContact CG1-CG 4.32Å; V373-L392 HydrophobicContact CG2-CD2 3.6Å; V373-L392 HydrophobicContact CG2-CG 4.39Å; R388-L392 WeakPolarHBondContact O-CB 3.41Å; R388-L392 PolarHBondContact O-N 2.93Å; A389-L392 PolarHBondContact O-N 3.31Å; L392-Y394 VanDerWaalsContact C-N 3.32Å; L392-Y394 PolarHBondContact O-N 2.98Å; L392-A395 PolarHBondContact O-N 2.94Å; L392-M396 HydrophobicContact CD1-CE 3.89Å; L392-M396 HydrophobicContact CD2-CE 4.17Å; L392-M396 HydrophobicContact CG-CE 3.58Å; L392-M396 WeakPolarHBondContact O-CG 3.41Å; L392-M396 PolarHBondContact O-N 3.34Å |
| 393 | L | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.2 | -73.3 | 172.1 | 0 | 0 | 0 | 111.6 | I370 V373 I374 L377 A389 V390 M396 C397 I405 M409 | I370-L393 HydrophobicContact CG1-CD2 4.08Å; V373-L393 HydrophobicContact CB-CD2 4.29Å; V373-L393 HydrophobicContact CG1-CD1 4.39Å; V373-L393 HydrophobicContact CG1-CD2 3.97Å; V373-L393 HydrophobicContact CG1-CG 3.78Å; I374-L393 HydrophobicContact CG1-CD1 4.38Å; I374-L393 HydrophobicContact CG1-CD2 4.04Å; L377-L393 HydrophobicContact CD2-CD1 3.92Å; A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 VanDerWaalsContact O-CG 3.29Å; A389-L393 WeakPolarHBondContact O-CG 3.36Å; A389-L393 PolarHBondContact O-N 3.49Å; V390-L393 PolarHBondContact O-N 2.98Å; L393-M396 HydrophobicContact CD2-CE 4.35Å; L393-M396 HydrophobicContact CD2-SD 4.39Å; L393-C397 WeakPolarHBondContact O-CB 3.31Å; L393-C397 PolarHBondContact O-N 3.49Å; L393-I405 HydrophobicContact CB-CG2 4.06Å; L393-I405 HydrophobicContact CD2-CD1 4.48Å; L393-I405 HydrophobicContact CD2-CG1 4.39Å; L393-M409 HydrophobicContact CB-CE 3.65Å |
| 394 | Y | 93.7 | Very high | 92.6 | Very high | 56 Ų | 56 | 41.2 Ų | 41.2 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 174.3 | 175.2 | -90.9 | 0 | 0 | 0 | 112.2 | V390 D391 L392 C397 K427 I430 L431 | V390-Y394 WeakPolarHBondContact O-CB 3.19Å; V390-Y394 PolarHBondContact O-N 3.31Å; D391-Y394 WeakPolarHBondContact O-CB 3.2Å; D391-Y394 PolarHBondContact O-N 3.31Å; L392-Y394 VanDerWaalsContact C-N 3.32Å; L392-Y394 PolarHBondContact O-N 2.98Å; Y394-C397 WeakPolarHBondContact O-CB 3.42Å; Y394-C397 PolarHBondContact O-N 2.99Å; Y394-K427 HydrophobicContact CD2-CB 3.72Å; Y394-K427 HydrophobicContact CD2-CD 4.21Å; Y394-K427 HydrophobicContact CD2-CG 3.68Å; Y394-K427 HydrophobicContact CE2-CB 4.16Å; Y394-K427 HydrophobicContact CE2-CG 4.02Å; Y394-K427 HydrophobicContact CG-CD 4.21Å; Y394-K427 HydrophobicContact CG-CG 4.15Å; Y394-I430 HydrophobicContact CE2-CB 4.35Å; Y394-I430 HydrophobicContact CE2-CG2 4.08Å; Y394-L431 HydrophobicContact CD2-CD1 3.96Å; Y394-L431 HydrophobicContact CD2-CD2 3.69Å; Y394-L431 HydrophobicContact CD2-CG 3.73Å; Y394-L431 HydrophobicContact CE2-CD2 3.85Å; Y394-L431 HydrophobicContact CE2-CG 4.04Å |
| 395 | A | 92.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 39 Ų | 39 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.8 | -38.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | A357 D391 L392 C397 | A357-A395 HydrophobicContact CB-CB 3.99Å; D391-A395 WeakPolarHBondContact O-CB 3.25Å; D391-A395 PolarHBondContact O-N 3Å; L392-A395 PolarHBondContact O-N 2.94Å; A395-C397 VanDerWaalsContact C-N 3.29Å; A395-C397 PolarHBondContact O-N 3.48Å |
| 396 | M | 92.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -1.5 | 177.1 | 79.2 | 169.9 | 79.5 | 0 | 0 | 114.2 | V366 I370 V373 L392 L393 N401 I405 | V366-M396 HydrophobicContact CG1-CB 4.04Å; V366-M396 HydrophobicContact CG1-CE 3.87Å; V366-M396 HydrophobicContact CG1-SD 4.42Å; I370-M396 HydrophobicContact CB-SD 3.92Å; I370-M396 HydrophobicContact CD1-SD 4.29Å; I370-M396 HydrophobicContact CG1-SD 3.88Å; V373-M396 HydrophobicContact CB-CE 4.39Å; V373-M396 HydrophobicContact CG2-CE 4Å; L392-M396 HydrophobicContact CD1-CE 3.89Å; L392-M396 HydrophobicContact CD2-CE 4.17Å; L392-M396 HydrophobicContact CG-CE 3.58Å; L392-M396 WeakPolarHBondContact O-CG 3.41Å; L392-M396 PolarHBondContact O-N 3.34Å; L393-M396 HydrophobicContact CD2-CE 4.35Å; L393-M396 HydrophobicContact CD2-SD 4.39Å; M396-N401 PolarHBondContact O-ND2 3.34Å; M396-I405 HydrophobicContact CG-CD1 4.23Å |
| 397 | C | 93.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | trans | -72.6 | 130.7 | -174 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | L393 Y394 A395 N401 I405 L431 Y435 | L393-C397 WeakPolarHBondContact O-CB 3.31Å; L393-C397 PolarHBondContact O-N 3.49Å; Y394-C397 WeakPolarHBondContact O-CB 3.42Å; Y394-C397 PolarHBondContact O-N 2.99Å; A395-C397 VanDerWaalsContact C-N 3.29Å; A395-C397 PolarHBondContact O-N 3.48Å; C397-N401 VanDerWaalsContact CA-OD1 3.3Å; C397-N401 WeakPolarHBondContact CA-OD1 3.25Å; C397-I405 HydrophobicContact CB-CD1 3.89Å; C397-L431 HydrophobicContact CB-CD1 4.17Å; C397-L431 HydrophobicContact CB-CD2 3.67Å; C397-Y435 HydrophobicContact CB-CE2 4.01Å; C397-Y435 WeakPolarHBondContact O-CE2 3.33Å; C397-Y435 PolarHBondContact O-OH 3.39Å | ||
| 398 | D | 90.6 | Very high | 93.2 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | trans | -136 | -171.5 | 176.8 | 83 | -17.5 | 0 | 0 | 0 | 111.4 | K367 S400 N401 S402 | K367-D398 WeakPolarHBondContact CE-OD2 3.38Å; K367-D398 VanDerWaalsContact NZ-CG 3.35Å; K367-D398 IonicContact NZ-OD2 3.95Å; K367-D398 PolarHBondContact NZ-OD2 3.29Å; D398-S400 VanDerWaalsContact C-N 3.27Å; D398-S400 VanDerWaalsContact CG-OG 3.28Å; D398-S400 PolarHBondContact O-N 2.97Å; D398-S400 WeakPolarHBondContact OD1-CA 3.26Å; D398-S400 WeakPolarHBondContact OD1-CB 3.39Å; D398-S400 PolarHBondContact OD1-N 2.96Å; D398-S400 PolarHBondContact OD1-OG 3.22Å; D398-S400 PolarHBondContact OD2-OG 3.26Å; D398-S400 VanDerWaalsContact OD2-OG 3.11Å; D398-N401 PolarHBondContact N-OD1 3.22Å; D398-N401 PolarHBondContact O-OD1 3.32Å; D398-N401 PolarHBondContact OD1-N 2.55Å; D398-N401 PolarHBondContact OD1-ND2 2.96Å; D398-N401 PolarHBondContact OD1-OD1 3.42Å; D398-S402 WeakPolarHBondContact O-CB 3.46Å; D398-S402 PolarHBondContact O-N 3.09Å; D398-S402 VanDerWaalsContact O-N 3.1Å | ||
| 399 | R | 90 | Very high | 93.2 | Very high | 189 Ų | 189 | 34.8 Ų | 34.8 | 71% | 0.713 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.6 | 177.9 | -69.8 | -177.4 | 175.8 | 175.5 | -1.3 | 114.2 | Y435 | R399-Y435 HydrophobicContact CG-CD1 3.79Å; R399-Y435 HydrophobicContact CG-CE1 4.45Å |
| 400 | S | 91 | Very high | 93.2 | Very high | 97 Ų | 97 | 35.9 Ų | 35.9 | 68% | 0.678 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -38.9 | -178 | 75.7 | 0 | 0 | 0 | 0 | 112.3 | D398 | D398-S400 VanDerWaalsContact C-N 3.27Å; D398-S400 VanDerWaalsContact CG-OG 3.28Å; D398-S400 PolarHBondContact O-N 2.97Å; D398-S400 WeakPolarHBondContact OD1-CA 3.26Å; D398-S400 WeakPolarHBondContact OD1-CB 3.39Å; D398-S400 PolarHBondContact OD1-N 2.96Å; D398-S400 PolarHBondContact OD1-OG 3.22Å; D398-S400 PolarHBondContact OD2-OG 3.26Å; D398-S400 VanDerWaalsContact OD2-OG 3.11Å |
| 401 | N | 92.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -8.9 | -172.4 | 65.9 | 23.8 | 0 | 0 | 0 | 114.2 | I370 M396 C397 D398 K403 Q404 I405 | I370-N401 HydrophobicContact CD1-CB 4.02Å; M396-N401 PolarHBondContact O-ND2 3.34Å; C397-N401 VanDerWaalsContact CA-OD1 3.3Å; C397-N401 WeakPolarHBondContact CA-OD1 3.25Å; D398-N401 PolarHBondContact N-OD1 3.22Å; D398-N401 PolarHBondContact O-OD1 3.32Å; D398-N401 PolarHBondContact OD1-N 2.55Å; D398-N401 PolarHBondContact OD1-ND2 2.96Å; D398-N401 PolarHBondContact OD1-OD1 3.42Å; N401-K403 VanDerWaalsContact C-N 3.33Å; N401-K403 PolarHBondContact O-N 3.09Å; N401-Q404 WeakPolarHBondContact O-CB 3.25Å; N401-Q404 PolarHBondContact O-N 3.44Å; N401-I405 HydrophobicContact CB-CD1 4.2Å; N401-I405 HydrophobicContact CB-CG1 4.48Å; N401-I405 PolarHBondContact O-N 3.35Å; N401-I405 WeakPolarHBondContact OD1-CD1 3.02Å |
| 402 | S | 93.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -48.6 | -47.1 | -176.5 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | D398 Q404 I405 V406 | D398-S402 WeakPolarHBondContact O-CB 3.46Å; D398-S402 PolarHBondContact O-N 3.09Å; D398-S402 VanDerWaalsContact O-N 3.1Å; S402-Q404 VanDerWaalsContact C-N 3.34Å; S402-Q404 PolarHBondContact O-N 3.43Å; S402-I405 PolarHBondContact O-N 3.41Å; S402-V406 VanDerWaalsContact O-CB 3.32Å; S402-V406 WeakPolarHBondContact O-CB 3.49Å; S402-V406 VanDerWaalsContact O-CG2 3.32Å; S402-V406 WeakPolarHBondContact O-CG2 3.24Å; S402-V406 PolarHBondContact O-N 2.98Å |
| 403 | K | 92.8 | Very high | 93 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 51% | 0.513 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.2 | -40.4 | -179.6 | -65.4 | -168.9 | 175.9 | -171.4 | 0 | 112.4 | N401 A407 W441 | N401-K403 VanDerWaalsContact C-N 3.33Å; N401-K403 PolarHBondContact O-N 3.09Å; K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 2.95Å; K403-W441 HydrophobicContact CG-CD2 4.48Å; K403-W441 HydrophobicContact CG-CZ2 4.14Å |
| 404 | Q | 94.3 | Very high | 92.8 | Very high | 74 Ų | 74 | 43.2 Ų | 43.2 | 35% | 0.346 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.3 | -48.1 | 177 | -177.3 | -179 | 1.5 | 0 | 0 | 110.9 | E371 I374 N401 S402 V406 A407 E408 | E371-Q404 PolarHBondContact OE1-NE2 2.93Å; I374-Q404 HydrophobicContact CD1-CG 4.39Å; N401-Q404 WeakPolarHBondContact O-CB 3.25Å; N401-Q404 PolarHBondContact O-N 3.44Å; S402-Q404 VanDerWaalsContact C-N 3.34Å; S402-Q404 PolarHBondContact O-N 3.43Å; Q404-V406 PolarHBondContact O-N 3.44Å; Q404-A407 PolarHBondContact O-N 2.9Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 2.99Å |
| 405 | I | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -45.1 | -178 | -66.9 | -179.4 | 0 | 0 | 0 | 111.3 | I370 L393 M396 C397 N401 S402 E408 M409 L431 | I370-I405 HydrophobicContact CD1-CD1 3.89Å; I370-I405 HydrophobicContact CD1-CG1 3.8Å; L393-I405 HydrophobicContact CB-CG2 4.06Å; L393-I405 HydrophobicContact CD2-CD1 4.48Å; L393-I405 HydrophobicContact CD2-CG1 4.39Å; M396-I405 HydrophobicContact CG-CD1 4.23Å; C397-I405 HydrophobicContact CB-CD1 3.89Å; N401-I405 HydrophobicContact CB-CD1 4.2Å; N401-I405 HydrophobicContact CB-CG1 4.48Å; N401-I405 PolarHBondContact O-N 3.35Å; N401-I405 WeakPolarHBondContact OD1-CD1 3.02Å; S402-I405 PolarHBondContact O-N 3.41Å; I405-E408 PolarHBondContact O-N 3.18Å; I405-M409 HydrophobicContact CG2-CE 3.7Å; I405-M409 HydrophobicContact CG2-CG 4.36Å; I405-M409 HydrophobicContact CG2-SD 4.26Å; I405-M409 WeakPolarHBondContact O-CB 3.32Å; I405-M409 WeakPolarHBondContact O-CG 3.41Å; I405-M409 PolarHBondContact O-N 3.17Å; I405-L431 HydrophobicContact CG2-CD1 4.17Å |
| 406 | V | 95.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -43.7 | 177.9 | 165.1 | 0 | 0 | 0 | 0 | 111.5 | S402 Q404 E408 M409 L410 V428 L431 W441 T445 | S402-V406 VanDerWaalsContact O-CB 3.32Å; S402-V406 WeakPolarHBondContact O-CB 3.49Å; S402-V406 VanDerWaalsContact O-CG2 3.32Å; S402-V406 WeakPolarHBondContact O-CG2 3.24Å; S402-V406 PolarHBondContact O-N 2.98Å; Q404-V406 PolarHBondContact O-N 3.44Å; V406-E408 VanDerWaalsContact C-N 3.31Å; V406-E408 PolarHBondContact O-N 3.32Å; V406-M409 PolarHBondContact O-N 3.38Å; V406-L410 HydrophobicContact CG1-CD1 4.05Å; V406-L410 HydrophobicContact CG1-CG 4.49Å; V406-L410 WeakPolarHBondContact O-CB 3.41Å; V406-L410 WeakPolarHBondContact O-CG 3.22Å; V406-L410 PolarHBondContact O-N 3.11Å; V406-V428 HydrophobicContact CG1-CG1 4.19Å; V406-L431 HydrophobicContact CG2-CB 4.13Å; V406-W441 HydrophobicContact CB-CZ2 4.02Å; V406-W441 HydrophobicContact CG1-CZ2 4.03Å; V406-W441 HydrophobicContact CG2-CH2 4.22Å; V406-W441 HydrophobicContact CG2-CZ2 4.06Å; V406-T445 HydrophobicContact CG1-CG2 3.52Å |
| 407 | A | 94.1 | Very high | 92 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 47% | 0.471 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K403 Q404 L410 S411 | K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 2.95Å; Q404-A407 PolarHBondContact O-N 2.9Å; A407-L410 PolarHBondContact O-N 3.42Å; A407-S411 WeakPolarHBondContact O-CB 3.42Å; A407-S411 PolarHBondContact O-N 3Å |
| 408 | E | 93.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.1 | -35.7 | 178.5 | -68.5 | -69.2 | -167.5 | 0 | 0 | 113.1 | I374 K378 Q404 I405 V406 S411 Y412 | I374-E408 HydrophobicContact CD1-CG 4.2Å; I374-E408 HydrophobicContact CG1-CG 4.44Å; I374-E408 HydrophobicContact CG2-CB 4.43Å; I374-E408 HydrophobicContact CG2-CG 3.96Å; K378-E408 WeakPolarHBondContact CE-OE2 3.28Å; K378-E408 IonicContact NZ-OE1 2.78Å; K378-E408 PolarHBondContact NZ-OE1 3.18Å; K378-E408 IonicContact NZ-OE2 2.78Å; K378-E408 PolarHBondContact NZ-OE2 2.92Å; Q404-E408 WeakPolarHBondContact O-CG 3.44Å; Q404-E408 PolarHBondContact O-N 2.99Å; I405-E408 PolarHBondContact O-N 3.18Å; V406-E408 VanDerWaalsContact C-N 3.31Å; V406-E408 PolarHBondContact O-N 3.32Å; E408-S411 PolarHBondContact O-N 3.31Å; E408-Y412 WeakPolarHBondContact O-CB 3.34Å; E408-Y412 PolarHBondContact O-N 2.87Å |
| 409 | M | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 171.5 | -74.2 | -170.3 | -178.2 | 0 | 0 | 111.9 | V390 L393 I405 V406 Y412 L413 I424 V428 L431 | V390-M409 HydrophobicContact CG1-CE 4.02Å; V390-M409 HydrophobicContact CG1-SD 4.46Å; L393-M409 HydrophobicContact CB-CE 3.65Å; I405-M409 HydrophobicContact CG2-CE 3.7Å; I405-M409 HydrophobicContact CG2-CG 4.36Å; I405-M409 HydrophobicContact CG2-SD 4.26Å; I405-M409 WeakPolarHBondContact O-CB 3.32Å; I405-M409 WeakPolarHBondContact O-CG 3.41Å; I405-M409 PolarHBondContact O-N 3.17Å; V406-M409 PolarHBondContact O-N 3.38Å; M409-Y412 PolarHBondContact O-N 3.34Å; M409-L413 WeakPolarHBondContact O-CB 3.47Å; M409-L413 PolarHBondContact O-N 3.35Å; M409-I424 HydrophobicContact CB-CG2 4.48Å; M409-V428 HydrophobicContact CB-CG2 3.58Å; M409-V428 HydrophobicContact CG-CG2 4.35Å; M409-V428 HydrophobicContact SD-CG2 3.86Å; M409-L431 HydrophobicContact CE-CD1 4.06Å; M409-L431 HydrophobicContact SD-CD1 4.06Å |
| 410 | L | 93.6 | Very high | 91.1 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.3 | -73.8 | 171.9 | 0 | 0 | 0 | 111.7 | V406 A407 Y412 L413 E414 V428 T445 N448 L449 I452 | V406-L410 HydrophobicContact CG1-CD1 4.05Å; V406-L410 HydrophobicContact CG1-CG 4.49Å; V406-L410 WeakPolarHBondContact O-CB 3.41Å; V406-L410 WeakPolarHBondContact O-CG 3.22Å; V406-L410 PolarHBondContact O-N 3.11Å; A407-L410 PolarHBondContact O-N 3.42Å; L410-Y412 VanDerWaalsContact C-N 3.34Å; L410-Y412 PolarHBondContact O-N 3.39Å; L410-L413 HydrophobicContact CD2-CD2 4.47Å; L410-L413 WeakPolarHBondContact O-CB 3.39Å; L410-L413 PolarHBondContact O-N 3.2Å; L410-E414 PolarHBondContact O-N 3.41Å; L410-V428 HydrophobicContact CD2-CG1 4.29Å; L410-V428 HydrophobicContact CG-CG1 4.47Å; L410-T445 HydrophobicContact CD1-CG2 4.45Å; L410-N448 HydrophobicContact CD1-CB 4.45Å; L410-L449 HydrophobicContact CD2-CB 4.4Å; L410-L449 HydrophobicContact CD2-CD1 3.66Å; L410-I452 HydrophobicContact CD2-CD1 4.32Å |
| 411 | S | 92.4 | Very high | 91 | Very high | 63 Ų | 63 | 47.3 Ų | 47.3 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 175.2 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | A407 E408 | A407-S411 WeakPolarHBondContact O-CB 3.42Å; A407-S411 PolarHBondContact O-N 3Å; E408-S411 PolarHBondContact O-N 3.31Å |
| 412 | Y | 90.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 174.5 | 177.2 | -124.6 | 0 | 0 | 0 | 112.2 | L377 R386 V390 E408 M409 L410 E414 T415 A416 I420 I424 | L377-Y412 HydrophobicContact CD1-CD1 3.75Å; L377-Y412 HydrophobicContact CD1-CD2 4.24Å; L377-Y412 HydrophobicContact CD1-CE1 3.72Å; L377-Y412 HydrophobicContact CD1-CE2 4.26Å; L377-Y412 HydrophobicContact CD1-CG 4.02Å; L377-Y412 HydrophobicContact CD2-CD1 4.15Å; L377-Y412 HydrophobicContact CD2-CG 4.12Å; L377-Y412 HydrophobicContact CG-CD1 4.21Å; L377-Y412 HydrophobicContact CG-CD2 4.34Å; L377-Y412 HydrophobicContact CG-CG 4.06Å; R386-Y412 VanDerWaalsContact CD-OH 3.27Å; R386-Y412 WeakPolarHBondContact CD-OH 3.42Å; V390-Y412 HydrophobicContact CG2-CD1 4.13Å; V390-Y412 HydrophobicContact CG2-CE1 4.09Å; E408-Y412 WeakPolarHBondContact O-CB 3.34Å; E408-Y412 PolarHBondContact O-N 2.87Å; M409-Y412 PolarHBondContact O-N 3.34Å; L410-Y412 VanDerWaalsContact C-N 3.34Å; L410-Y412 PolarHBondContact O-N 3.39Å; Y412-E414 PolarHBondContact O-N 3.37Å; Y412-T415 CarbonylContact O-C 3.56Å; Y412-T415 PolarHBondContact O-N 2.93Å; Y412-T415 PolarHBondContact O-OG1 3.1Å; Y412-A416 HydrophobicContact CD1-CB 4.36Å; Y412-A416 HydrophobicContact CE1-CB 4.04Å; Y412-A416 HydrophobicContact CE2-CB 4.3Å; Y412-A416 WeakPolarHBondContact O-CB 3.43Å; Y412-A416 PolarHBondContact O-N 3.23Å; Y412-I420 HydrophobicContact CE1-CD1 3.99Å; Y412-I420 WeakPolarHBondContact OH-CD1 3.47Å; Y412-I424 HydrophobicContact CD1-CD1 3.9Å; Y412-I424 HydrophobicContact CE1-CD1 3.66Å |
| 413 | L | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -32.9 | -176.9 | -173.8 | 66.5 | 0 | 0 | 0 | 113.7 | M409 L410 T415 A416 R421 I424 V425 L449 I452 A453 | M409-L413 WeakPolarHBondContact O-CB 3.47Å; M409-L413 PolarHBondContact O-N 3.35Å; L410-L413 HydrophobicContact CD2-CD2 4.47Å; L410-L413 WeakPolarHBondContact O-CB 3.39Å; L410-L413 PolarHBondContact O-N 3.2Å; L413-T415 VanDerWaalsContact C-N 3.27Å; L413-T415 PolarHBondContact O-N 3.41Å; L413-A416 PolarHBondContact O-N 2.95Å; L413-R421 HydrophobicContact CD1-CB 3.95Å; L413-R421 HydrophobicContact CD1-CG 3.88Å; L413-R421 PolarHBondContact O-NH2 3.06Å; L413-I424 HydrophobicContact CB-CG2 4.44Å; L413-I424 HydrophobicContact CD1-CB 4.04Å; L413-I424 HydrophobicContact CD1-CD1 4.39Å; L413-I424 HydrophobicContact CD1-CG2 3.95Å; L413-V425 HydrophobicContact CD1-CG2 4.15Å; L413-V425 HydrophobicContact CD2-CG2 3.91Å; L413-L449 HydrophobicContact CD2-CD1 3.54Å; L413-I452 HydrophobicContact CB-CG2 4.34Å; L413-I452 HydrophobicContact CD2-CG2 4.06Å; L413-I452 HydrophobicContact CG-CG2 3.98Å; L413-A453 HydrophobicContact CD1-CB 4.21Å; L413-A453 HydrophobicContact CD2-CB 3.72Å; L413-A453 HydrophobicContact CG-CB 4Å |
| 414 | E | 90.8 | Very high | 90.2 | Very high | 104 Ų | 104 | 47.3 Ų | 47.3 | 49% | 0.486 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 175.7 | -64.3 | -168.8 | 160.3 | 0 | 0 | 111.9 | L410 Y412 R421 R451 I452 | L410-E414 PolarHBondContact O-N 3.41Å; Y412-E414 PolarHBondContact O-N 3.37Å; E414-R421 PolarHBondContact O-NH2 3.32Å; E414-R451 IonicContact OE1-NH2 3.8Å; E414-I452 HydrophobicContact CB-CG2 4.43Å; E414-I452 HydrophobicContact CG-CD1 3.94Å; E414-I452 HydrophobicContact CG-CG1 4.07Å; E414-I452 HydrophobicContact CG-CG2 3.69Å |
| 415 | T | 89.4 | Confident | 90.2 | Very high | 107 Ų | 107 | 43.9 Ų | 43.9 | 66% | 0.656 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -102.4 | -4.2 | -178 | 64.2 | 0 | 0 | 0 | 0 | 114.4 | Y412 L413 | Y412-T415 CarbonylContact O-C 3.56Å; Y412-T415 PolarHBondContact O-N 2.93Å; Y412-T415 PolarHBondContact O-OG1 3.1Å; L413-T415 VanDerWaalsContact C-N 3.27Å; L413-T415 PolarHBondContact O-N 3.41Å |
| 416 | A | 87.5 | Confident | 90 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -69.7 | 146.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y412 L413 I420 R421 I424 | Y412-A416 HydrophobicContact CD1-CB 4.36Å; Y412-A416 HydrophobicContact CE1-CB 4.04Å; Y412-A416 HydrophobicContact CE2-CB 4.3Å; Y412-A416 WeakPolarHBondContact O-CB 3.43Å; Y412-A416 PolarHBondContact O-N 3.23Å; L413-A416 PolarHBondContact O-N 2.95Å; A416-I420 HydrophobicContact CB-CD1 3.99Å; A416-I420 HydrophobicContact CB-CG1 4.2Å; A416-R421 HydrophobicContact CB-CG 4.37Å; A416-R421 VanDerWaalsContact O-CZ 3.31Å; A416-R421 PolarHBondContact O-NE 3.48Å; A416-R421 PolarHBondContact O-NH2 3.26Å; A416-I424 HydrophobicContact CB-CD1 4.05Å |
| 417 | D | 85.8 | Confident | 89.8 | Confident | 69 Ų | 69 | 44.2 Ų | 44.2 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | trans | -64.2 | 144.3 | 176.2 | -58.2 | -80.8 | 0 | 0 | 0 | 112.2 | S419 I420 R421 | D417-S419 PolarHBondContact O-N 3.36Å; D417-I420 HydrophobicContact CB-CD1 4.44Å; D417-I420 HydrophobicContact CB-CG1 4.24Å; D417-I420 WeakPolarHBondContact O-CG1 3.5Å; D417-I420 PolarHBondContact O-N 2.89Å; D417-I420 VanDerWaalsContact O-N 3.1Å; D417-R421 PolarHBondContact O-N 3.31Å | ||
| 418 | Y | 86.4 | Confident | 89.9 | Confident | 165 Ų | 165 | 41.5 Ų | 41.5 | 65% | 0.647 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -55.8 | -30.5 | -174.6 | -65.9 | -62 | 0 | 0 | 0 | 114.9 | I420 Y456 | Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 PolarHBondContact O-N 3.38Å; Y418-Y456 WeakPolarHBondContact CB-OH 3.39Å; Y418-Y456 HydrophobicContact CD1-CE2 4.03Å; Y418-Y456 AromaticContact CD1-CZ 3.91Å; Y418-Y456 WeakPolarHBondContact CD1-OH 3.27Å; Y418-Y456 WeakPolarHBondContact O-CE1 3.26Å |
| 419 | S | 83.4 | Confident | 89.8 | Confident | 101 Ų | 101 | 39.7 Ų | 39.7 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -69.7 | -23.2 | -179.1 | 54.1 | 0 | 0 | 0 | 0 | 114.4 | D417 | D417-S419 PolarHBondContact O-N 3.36Å |
| 420 | I | 83.6 | Confident | 89.7 | Confident | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -103.9 | -18 | -177 | 54.8 | 172.8 | 0 | 0 | 0 | 113.5 | V383 Q387 Y412 A416 D417 Y418 E422 E423 I424 | V383-I420 HydrophobicContact CG1-CD1 4.26Å; V383-I420 HydrophobicContact CG1-CG2 4.24Å; Q387-I420 HydrophobicContact CG-CG2 3.71Å; Y412-I420 HydrophobicContact CE1-CD1 3.99Å; Y412-I420 WeakPolarHBondContact OH-CD1 3.47Å; A416-I420 HydrophobicContact CB-CD1 3.99Å; A416-I420 HydrophobicContact CB-CG1 4.2Å; D417-I420 HydrophobicContact CB-CD1 4.44Å; D417-I420 HydrophobicContact CB-CG1 4.24Å; D417-I420 WeakPolarHBondContact O-CG1 3.5Å; D417-I420 PolarHBondContact O-N 2.89Å; D417-I420 VanDerWaalsContact O-N 3.1Å; Y418-I420 VanDerWaalsContact C-N 3.31Å; Y418-I420 PolarHBondContact O-N 3.38Å; I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 2.86Å; I420-E423 PolarHBondContact O-N 3.43Å; I420-E423 VanDerWaalsContact O-N 3.13Å; I420-I424 HydrophobicContact CB-CD1 4.21Å; I420-I424 HydrophobicContact CD1-CD1 4.05Å; I420-I424 HydrophobicContact CG1-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.45Å; I420-I424 PolarHBondContact O-N 3.23Å; I420-I424 VanDerWaalsContact O-N 3.08Å |
| 421 | R | 89.4 | Confident | 89.7 | Confident | 36 Ų | 36 | 39.1 Ų | 39.1 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -52.6 | -47.1 | -177.1 | -70.6 | -174.6 | -178.9 | -141.4 | -12.9 | 112.5 | L413 E414 A416 D417 E423 I424 V425 Y456 | L413-R421 HydrophobicContact CD1-CB 3.95Å; L413-R421 HydrophobicContact CD1-CG 3.88Å; L413-R421 PolarHBondContact O-NH2 3.06Å; E414-R421 PolarHBondContact O-NH2 3.32Å; A416-R421 HydrophobicContact CB-CG 4.37Å; A416-R421 VanDerWaalsContact O-CZ 3.31Å; A416-R421 PolarHBondContact O-NE 3.48Å; A416-R421 PolarHBondContact O-NH2 3.26Å; D417-R421 PolarHBondContact O-N 3.31Å; R421-E423 VanDerWaalsContact C-N 3.32Å; R421-E423 PolarHBondContact O-N 3.11Å; R421-I424 PolarHBondContact O-N 3.35Å; R421-V425 WeakPolarHBondContact O-CB 3.25Å; R421-V425 WeakPolarHBondContact O-CG2 3.38Å; R421-V425 PolarHBondContact O-N 3.01Å; R421-Y456 HydrophobicContact CB-CD1 4.18Å; R421-Y456 HydrophobicContact CB-CD2 3.74Å; R421-Y456 HydrophobicContact CB-CE2 4.16Å; R421-Y456 HydrophobicContact CB-CG 3.76Å; R421-Y456 HydrophobicContact CG-CD2 4.4Å; R421-Y456 HydrophobicContact CG-CE2 4.49Å |
| 422 | E | 87 | Confident | 89.8 | Confident | 71 Ų | 71 | 36.1 Ų | 36.1 | 33% | 0.332 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63 | -34.3 | -177.7 | -151.5 | -155.1 | 124.9 | 0 | 0 | 113.3 | I420 L426 Y456 K619 | I420-E422 VanDerWaalsContact C-N 3.31Å; I420-E422 PolarHBondContact O-N 2.86Å; E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 PolarHBondContact O-N 3.38Å; E422-L426 VanDerWaalsContact O-N 3.14Å; E422-Y456 HydrophobicContact CB-CD1 3.99Å; E422-Y456 HydrophobicContact CG-CD1 4.41Å; E422-K619 IonicContact OE1-NZ 3.28Å; E422-K619 PolarHBondContact OE1-NZ 3.45Å; E422-K619 IonicContact OE2-NZ 3.25Å; E422-K619 PolarHBondContact OE2-NZ 3.44Å |
| 423 | E | 85.3 | Confident | 89.7 | Confident | 55 Ų | 55 | 37 Ų | 37 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -76.1 | -39 | 176.1 | -172.3 | 178.1 | 173.5 | 0 | 0 | 111.8 | I420 R421 L426 K427 | I420-E423 PolarHBondContact O-N 3.43Å; I420-E423 VanDerWaalsContact O-N 3.13Å; R421-E423 VanDerWaalsContact C-N 3.32Å; R421-E423 PolarHBondContact O-N 3.11Å; E423-L426 PolarHBondContact O-N 3.38Å; E423-K427 HydrophobicContact CG-CD 4.32Å; E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 WeakPolarHBondContact O-CG 3.17Å; E423-K427 PolarHBondContact O-N 3.24Å; E423-K427 WeakPolarHBondContact OE1-CE 3.38Å; E423-K427 IonicContact OE1-NZ 2.85Å; E423-K427 PolarHBondContact OE1-NZ 3.05Å |
| 424 | I | 91 | Very high | 89.6 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | 174.5 | -62.3 | 162 | 0 | 0 | 0 | 109.9 | V390 M409 Y412 L413 A416 I420 R421 L426 K427 V428 | V390-I424 HydrophobicContact CG1-CG1 4.23Å; M409-I424 HydrophobicContact CB-CG2 4.48Å; Y412-I424 HydrophobicContact CD1-CD1 3.9Å; Y412-I424 HydrophobicContact CE1-CD1 3.66Å; L413-I424 HydrophobicContact CB-CG2 4.44Å; L413-I424 HydrophobicContact CD1-CB 4.04Å; L413-I424 HydrophobicContact CD1-CD1 4.39Å; L413-I424 HydrophobicContact CD1-CG2 3.95Å; A416-I424 HydrophobicContact CB-CD1 4.05Å; I420-I424 HydrophobicContact CB-CD1 4.21Å; I420-I424 HydrophobicContact CD1-CD1 4.05Å; I420-I424 HydrophobicContact CG1-CD1 4.04Å; I420-I424 WeakPolarHBondContact O-CG1 3.45Å; I420-I424 PolarHBondContact O-N 3.23Å; I420-I424 VanDerWaalsContact O-N 3.08Å; R421-I424 PolarHBondContact O-N 3.35Å; I424-L426 VanDerWaalsContact C-N 3.31Å; I424-L426 PolarHBondContact O-N 2.95Å; I424-K427 PolarHBondContact O-N 2.99Å; I424-V428 HydrophobicContact CG2-CG2 4.18Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.38Å; I424-V428 PolarHBondContact O-N 2.94Å |
| 425 | V | 93.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.9 | 164 | 0 | 0 | 0 | 0 | 111.1 | L413 R421 V428 A429 L449 A453 V457 | L413-V425 HydrophobicContact CD1-CG2 4.15Å; L413-V425 HydrophobicContact CD2-CG2 3.91Å; R421-V425 WeakPolarHBondContact O-CB 3.25Å; R421-V425 WeakPolarHBondContact O-CG2 3.38Å; R421-V425 PolarHBondContact O-N 3.01Å; V425-V428 PolarHBondContact O-N 3.28Å; V425-A429 WeakPolarHBondContact O-CB 3.41Å; V425-A429 PolarHBondContact O-N 3.08Å; V425-L449 HydrophobicContact CB-CD1 4.38Å; V425-L449 HydrophobicContact CG1-CD2 3.92Å; V425-L449 HydrophobicContact CG1-CG 4.13Å; V425-L449 HydrophobicContact CG2-CD1 3.91Å; V425-L449 HydrophobicContact CG2-CG 4.22Å; V425-A453 HydrophobicContact CG2-CB 3.8Å; V425-V457 HydrophobicContact CG1-CB 4.41Å; V425-V457 HydrophobicContact CG1-CG2 3.88Å |
| 426 | L | 90.8 | Very high | 89.8 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -42.7 | 178.9 | -164.6 | 61.9 | 0 | 0 | 0 | 111.9 | E422 E423 I424 A429 I430 I612 K615 L616 | E422-L426 WeakPolarHBondContact O-CB 3.4Å; E422-L426 PolarHBondContact O-N 3.38Å; E422-L426 VanDerWaalsContact O-N 3.14Å; E423-L426 PolarHBondContact O-N 3.38Å; I424-L426 VanDerWaalsContact C-N 3.31Å; I424-L426 PolarHBondContact O-N 2.95Å; L426-A429 PolarHBondContact O-N 3.49Å; L426-I430 HydrophobicContact CG-CD1 4.27Å; L426-I430 WeakPolarHBondContact O-CD1 3.33Å; L426-I430 VanDerWaalsContact O-CG1 3.25Å; L426-I430 WeakPolarHBondContact O-CG1 3.46Å; L426-I430 PolarHBondContact O-N 3.08Å; L426-I430 VanDerWaalsContact O-N 3.11Å; L426-I612 HydrophobicContact CD1-CG2 3.42Å; L426-I612 VanDerWaalsContact CD1-CG2 3.42Å; L426-I612 HydrophobicContact CG-CG2 4.34Å; L426-K615 HydrophobicContact CD2-CG 4.35Å; L426-L616 HydrophobicContact CD2-CB 3.73Å; L426-L616 HydrophobicContact CD2-CD1 3.82Å; L426-L616 HydrophobicContact CD2-CG 4.38Å; L426-L616 HydrophobicContact CG-CB 4.32Å; L426-L616 HydrophobicContact CG-CD1 4.39Å |
| 427 | K | 92.2 | Very high | 89.8 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 175.5 | -74.9 | 173.2 | -175.3 | 167.3 | 0 | 112.3 | V390 D391 Y394 E423 I424 A429 I430 L431 | V390-K427 HydrophobicContact CG1-CD 3.95Å; D391-K427 IonicContact OD1-NZ 2.84Å; D391-K427 PolarHBondContact OD1-NZ 2.85Å; Y394-K427 HydrophobicContact CD2-CB 3.72Å; Y394-K427 HydrophobicContact CD2-CD 4.21Å; Y394-K427 HydrophobicContact CD2-CG 3.68Å; Y394-K427 HydrophobicContact CE2-CB 4.16Å; Y394-K427 HydrophobicContact CE2-CG 4.02Å; Y394-K427 HydrophobicContact CG-CD 4.21Å; Y394-K427 HydrophobicContact CG-CG 4.15Å; E423-K427 HydrophobicContact CG-CD 4.32Å; E423-K427 WeakPolarHBondContact O-CB 3.48Å; E423-K427 WeakPolarHBondContact O-CG 3.17Å; E423-K427 PolarHBondContact O-N 3.24Å; E423-K427 WeakPolarHBondContact OE1-CE 3.38Å; E423-K427 IonicContact OE1-NZ 2.85Å; E423-K427 PolarHBondContact OE1-NZ 3.05Å; I424-K427 PolarHBondContact O-N 2.99Å; K427-A429 PolarHBondContact O-N 3.13Å; K427-I430 PolarHBondContact O-N 3.02Å; K427-L431 WeakPolarHBondContact O-CG 3.36Å; K427-L431 PolarHBondContact O-N 3.26Å |
| 428 | V | 94.8 | Very high | 90 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.4 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V406 M409 L410 I424 V425 I430 L431 A432 T445 L449 | V406-V428 HydrophobicContact CG1-CG1 4.19Å; M409-V428 HydrophobicContact CB-CG2 3.58Å; M409-V428 HydrophobicContact CG-CG2 4.35Å; M409-V428 HydrophobicContact SD-CG2 3.86Å; L410-V428 HydrophobicContact CD2-CG1 4.29Å; L410-V428 HydrophobicContact CG-CG1 4.47Å; I424-V428 HydrophobicContact CG2-CG2 4.18Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.38Å; I424-V428 PolarHBondContact O-N 2.94Å; V425-V428 PolarHBondContact O-N 3.28Å; V428-I430 PolarHBondContact O-N 3.4Å; V428-L431 PolarHBondContact O-N 3.27Å; V428-A432 VanDerWaalsContact O-CB 3.28Å; V428-A432 WeakPolarHBondContact O-CB 3.36Å; V428-A432 PolarHBondContact O-N 3.11Å; V428-T445 HydrophobicContact CG1-CG2 3.89Å; V428-L449 HydrophobicContact CB-CD1 4.15Å; V428-L449 HydrophobicContact CB-CD2 4.39Å; V428-L449 HydrophobicContact CG1-CD1 3.98Å; V428-L449 HydrophobicContact CG1-CD2 4.2Å |
| 429 | A | 92.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V425 L426 K427 A432 E433 I446 L449 V461 | V425-A429 WeakPolarHBondContact O-CB 3.41Å; V425-A429 PolarHBondContact O-N 3.08Å; L426-A429 PolarHBondContact O-N 3.49Å; K427-A429 PolarHBondContact O-N 3.13Å; A429-A432 PolarHBondContact O-N 2.92Å; A429-E433 WeakPolarHBondContact O-CB 3.34Å; A429-E433 PolarHBondContact O-N 3.48Å; A429-I446 HydrophobicContact CB-CD1 4.06Å; A429-L449 HydrophobicContact CB-CD2 4.3Å; A429-V461 HydrophobicContact CB-CG1 3.8Å; A429-V461 HydrophobicContact CB-CG2 3.88Å |
| 430 | I | 92.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 176.8 | -67.7 | 160.1 | 0 | 0 | 0 | 111.6 | Y394 L426 K427 V428 A432 E433 K434 I612 L613 L616 | Y394-I430 HydrophobicContact CE2-CB 4.35Å; Y394-I430 HydrophobicContact CE2-CG2 4.08Å; L426-I430 HydrophobicContact CG-CD1 4.27Å; L426-I430 WeakPolarHBondContact O-CD1 3.33Å; L426-I430 VanDerWaalsContact O-CG1 3.25Å; L426-I430 WeakPolarHBondContact O-CG1 3.46Å; L426-I430 PolarHBondContact O-N 3.08Å; L426-I430 VanDerWaalsContact O-N 3.11Å; K427-I430 PolarHBondContact O-N 3.02Å; V428-I430 PolarHBondContact O-N 3.4Å; I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.43Å; I430-E433 PolarHBondContact O-N 3.1Å; I430-K434 WeakPolarHBondContact O-CB 3.45Å; I430-K434 PolarHBondContact O-N 3.45Å; I430-I612 HydrophobicContact CD1-CG2 4.12Å; I430-I612 HydrophobicContact CG1-CB 4.48Å; I430-I612 HydrophobicContact CG1-CG2 3.55Å; I430-L613 HydrophobicContact CD1-CD2 3.89Å; I430-L613 HydrophobicContact CG1-CD2 4.05Å; I430-L613 HydrophobicContact CG2-CD2 3.75Å; I430-L616 HydrophobicContact CD1-CB 4.16Å; I430-L616 HydrophobicContact CD1-CD2 3.66Å; I430-L616 HydrophobicContact CD1-CG 4.45Å |
| 431 | L | 93.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 179.7 | -67.4 | -178.8 | 0 | 0 | 0 | 111.6 | Y394 C397 I405 V406 M409 K427 V428 Y435 | Y394-L431 HydrophobicContact CD2-CD1 3.96Å; Y394-L431 HydrophobicContact CD2-CD2 3.69Å; Y394-L431 HydrophobicContact CD2-CG 3.73Å; Y394-L431 HydrophobicContact CE2-CD2 3.85Å; Y394-L431 HydrophobicContact CE2-CG 4.04Å; C397-L431 HydrophobicContact CB-CD1 4.17Å; C397-L431 HydrophobicContact CB-CD2 3.67Å; I405-L431 HydrophobicContact CG2-CD1 4.17Å; V406-L431 HydrophobicContact CG2-CB 4.13Å; M409-L431 HydrophobicContact CE-CD1 4.06Å; M409-L431 HydrophobicContact SD-CD1 4.06Å; K427-L431 WeakPolarHBondContact O-CG 3.36Å; K427-L431 PolarHBondContact O-N 3.26Å; V428-L431 PolarHBondContact O-N 3.27Å; L431-Y435 HydrophobicContact CD2-CD2 4.2Å; L431-Y435 HydrophobicContact CD2-CE2 3.89Å; L431-Y435 WeakPolarHBondContact O-CB 3.37Å; L431-Y435 PolarHBondContact O-N 3.24Å; L431-Y435 VanDerWaalsContact O-N 3.1Å |
| 432 | A | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -49.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V428 A429 I430 A436 W441 Y442 T445 | V428-A432 VanDerWaalsContact O-CB 3.28Å; V428-A432 WeakPolarHBondContact O-CB 3.36Å; V428-A432 PolarHBondContact O-N 3.11Å; A429-A432 PolarHBondContact O-N 2.92Å; I430-A432 VanDerWaalsContact C-N 3.33Å; I430-A432 PolarHBondContact O-N 3.43Å; A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.23Å; A432-A436 PolarHBondContact O-N 3.29Å; A432-A436 VanDerWaalsContact O-N 3.08Å; A432-W441 HydrophobicContact CB-CH2 4.41Å; A432-W441 HydrophobicContact CB-CZ3 4.49Å; A432-Y442 HydrophobicContact CB-CD2 3.78Å; A432-Y442 HydrophobicContact CB-CE2 4.07Å; A432-T445 HydrophobicContact CB-CG2 3.77Å |
| 433 | E | 89.3 | Confident | 91.9 | Very high | 32 Ų | 32 | 29.6 Ų | 29.6 | 15% | 0.15 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 178.5 | -175.9 | 179.8 | 170.2 | 0 | 0 | 111.6 | A429 I430 Y435 Y442 R464 I468 S610 | A429-E433 WeakPolarHBondContact O-CB 3.34Å; A429-E433 PolarHBondContact O-N 3.48Å; I430-E433 PolarHBondContact O-N 3.1Å; E433-Y435 PolarHBondContact O-N 2.97Å; E433-Y442 HydrophobicContact CB-CE2 3.98Å; E433-R464 IonicContact OE1-CZ 2.79Å; E433-R464 VanDerWaalsContact OE1-CZ 3.25Å; E433-R464 IonicContact OE1-NE 3.75Å; E433-R464 PolarHBondContact OE1-NE 3.2Å; E433-R464 IonicContact OE1-NH2 3.45Å; E433-R464 PolarHBondContact OE1-NH2 3.01Å; E433-R464 IonicContact OE2-NE 3.27Å; E433-I468 HydrophobicContact CG-CD1 4.41Å; E433-S610 PolarHBondContact OE1-OG 3.04Å |
| 434 | K | 90.2 | Very high | 92.3 | Very high | 131 Ų | 131 | 29.3 Ų | 29.3 | 57% | 0.57 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -69.5 | -32.8 | -174 | -171 | -174.3 | 178.1 | -160.9 | 0 | 113.7 | I430 | I430-K434 WeakPolarHBondContact O-CB 3.45Å; I430-K434 PolarHBondContact O-N 3.45Å |
| 435 | Y | 93.1 | Very high | 92.5 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 13% | 0.129 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -116.7 | 11 | -172.3 | -58.2 | -50.1 | 0 | 0 | 0 | 114.4 | C397 R399 L431 E433 V437 | C397-Y435 HydrophobicContact CB-CE2 4.01Å; C397-Y435 WeakPolarHBondContact O-CE2 3.33Å; C397-Y435 PolarHBondContact O-OH 3.39Å; R399-Y435 HydrophobicContact CG-CD1 3.79Å; R399-Y435 HydrophobicContact CG-CE1 4.45Å; L431-Y435 HydrophobicContact CD2-CD2 4.2Å; L431-Y435 HydrophobicContact CD2-CE2 3.89Å; L431-Y435 WeakPolarHBondContact O-CB 3.37Å; L431-Y435 PolarHBondContact O-N 3.24Å; L431-Y435 VanDerWaalsContact O-N 3.1Å; E433-Y435 PolarHBondContact O-N 2.97Å; Y435-V437 PolarHBondContact O-N 2.69Å |
| 436 | A | 89.9 | Confident | 92.6 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | trans | -61.8 | 114.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A432 Y439 W441 | A432-A436 VanDerWaalsContact O-CB 3.26Å; A432-A436 WeakPolarHBondContact O-CB 3.23Å; A432-A436 PolarHBondContact O-N 3.29Å; A432-A436 VanDerWaalsContact O-N 3.08Å; A436-Y439 HydrophobicContact CB-CD1 4.46Å; A436-Y439 HydrophobicContact CB-CE1 4.35Å; A436-W441 HydrophobicContact CB-CE3 4.36Å; A436-W441 HydrophobicContact CB-CZ3 4.28Å | ||
| 437 | V | 87.6 | Confident | 92.7 | Very high | 117 Ų | 117 | 29.4 Ų | 29.4 | 71% | 0.709 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -92.6 | -32.7 | 162.4 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | Y435 | Y435-V437 PolarHBondContact O-N 2.69Š|
| 438 | D | 89.6 | Confident | 92.7 | Very high | 70 Ų | 70 | 32 Ų | 32 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -120.4 | 122.1 | 178.6 | 176.2 | -5.7 | 0 | 0 | 0 | 107.5 | T440 | D438-T440 VanDerWaalsContact C-N 3.35Å; D438-T440 WeakPolarHBondContact OD1-CB 3.26Å; D438-T440 PolarHBondContact OD1-N 3.44Å; D438-T440 PolarHBondContact OD1-OG1 2.97Å; D438-T440 PolarHBondContact OD2-OG1 3.46Å |
| 439 | Y | 92.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 32 Ų | 32 | 24% | 0.239 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80.6 | -14.3 | -176.4 | -76.7 | -87.4 | 0 | 0 | 0 | 112.9 | A436 Y442 V443 I468 | A436-Y439 HydrophobicContact CB-CD1 4.46Å; A436-Y439 HydrophobicContact CB-CE1 4.35Å; Y439-Y442 HydrophobicContact CD1-CD1 4.48Å; Y439-Y442 WeakPolarHBondContact O-CB 3.4Å; Y439-Y442 PolarHBondContact O-N 2.87Å; Y439-V443 WeakPolarHBondContact O-CG2 3.44Å; Y439-V443 PolarHBondContact O-N 3.27Å; Y439-I468 HydrophobicContact CD1-CG2 3.53Å; Y439-I468 HydrophobicContact CE1-CG2 3.8Å |
| 440 | T | 93.8 | Very high | 92.8 | Very high | 38 Ų | 38 | 32 Ų | 32 | 23% | 0.233 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 169.4 | 65.9 | 0 | 0 | 0 | 0 | 110.5 | D438 Y442 V443 D444 V475 Y478 | D438-T440 VanDerWaalsContact C-N 3.35Å; D438-T440 WeakPolarHBondContact OD1-CB 3.26Å; D438-T440 PolarHBondContact OD1-N 3.44Å; D438-T440 PolarHBondContact OD1-OG1 2.97Å; D438-T440 PolarHBondContact OD2-OG1 3.46Å; T440-Y442 VanDerWaalsContact C-N 3.3Å; T440-Y442 PolarHBondContact O-N 3.34Å; T440-V443 PolarHBondContact O-N 3.09Å; T440-D444 PolarHBondContact O-N 3.45Å; T440-V475 HydrophobicContact CG2-CG1 4.05Å; T440-Y478 HydrophobicContact CG2-CD1 3.94Å; T440-Y478 HydrophobicContact CG2-CE1 4.37Å; T440-Y478 HydrophobicContact CG2-CG 4.04Å |
| 441 | W | 94.8 | Very high | 92.7 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 14% | 0.14 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.2 | -34.6 | 173 | 171.3 | 76.2 | 0 | 0 | 0 | 113.1 | K403 V406 A432 A436 T445 | K403-W441 HydrophobicContact CG-CD2 4.48Å; K403-W441 HydrophobicContact CG-CZ2 4.14Å; V406-W441 HydrophobicContact CB-CZ2 4.02Å; V406-W441 HydrophobicContact CG1-CZ2 4.03Å; V406-W441 HydrophobicContact CG2-CH2 4.22Å; V406-W441 HydrophobicContact CG2-CZ2 4.06Å; A432-W441 HydrophobicContact CB-CH2 4.41Å; A432-W441 HydrophobicContact CB-CZ3 4.49Å; A436-W441 HydrophobicContact CB-CE3 4.36Å; A436-W441 HydrophobicContact CB-CZ3 4.28Å; W441-T445 VanDerWaalsContact O-CB 3.3Å; W441-T445 WeakPolarHBondContact O-CB 3.48Å; W441-T445 PolarHBondContact O-N 3.04Å; W441-T445 PolarHBondContact O-OG1 3.23Å |
| 442 | Y | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64 | -48.6 | 173.4 | 173.4 | -98.8 | 0 | 0 | 0 | 111.3 | A432 E433 Y439 T440 D444 T445 I446 V465 I468 | A432-Y442 HydrophobicContact CB-CD2 3.78Å; A432-Y442 HydrophobicContact CB-CE2 4.07Å; E433-Y442 HydrophobicContact CB-CE2 3.98Å; Y439-Y442 HydrophobicContact CD1-CD1 4.48Å; Y439-Y442 WeakPolarHBondContact O-CB 3.4Å; Y439-Y442 PolarHBondContact O-N 2.87Å; T440-Y442 VanDerWaalsContact C-N 3.3Å; T440-Y442 PolarHBondContact O-N 3.34Å; Y442-D444 PolarHBondContact O-N 3.06Å; Y442-T445 PolarHBondContact O-N 3.06Å; Y442-I446 HydrophobicContact CD2-CG1 4.27Å; Y442-I446 HydrophobicContact CE1-CG1 4.08Å; Y442-I446 HydrophobicContact CE2-CD1 4.04Å; Y442-I446 HydrophobicContact CE2-CG1 3.77Å; Y442-I446 WeakPolarHBondContact O-CG1 3.37Å; Y442-I446 PolarHBondContact O-N 3.08Å; Y442-V465 HydrophobicContact CE1-CB 4.13Å; Y442-V465 HydrophobicContact CE1-CG2 3.96Å; Y442-I468 HydrophobicContact CD1-CD1 4.36Å; Y442-I468 HydrophobicContact CD1-CG2 4.09Å; Y442-I468 HydrophobicContact CE1-CB 4.2Å; Y442-I468 HydrophobicContact CE1-CD1 3.58Å; Y442-I468 HydrophobicContact CE1-CG1 4.49Å; Y442-I468 HydrophobicContact CE1-CG2 4.07Å; Y442-I468 HydrophobicContact CE2-CD1 4.37Å |
| 443 | V | 94.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -49.9 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | Y439 T440 T445 I446 L447 V465 V469 A479 | Y439-V443 WeakPolarHBondContact O-CG2 3.44Å; Y439-V443 PolarHBondContact O-N 3.27Å; T440-V443 PolarHBondContact O-N 3.09Å; V443-T445 VanDerWaalsContact C-N 3.28Å; V443-T445 PolarHBondContact O-N 2.95Å; V443-I446 PolarHBondContact O-N 3.13Å; V443-L447 HydrophobicContact CG1-CD1 3.6Å; V443-L447 HydrophobicContact CG1-CG 4.16Å; V443-L447 WeakPolarHBondContact O-CB 3.23Å; V443-L447 VanDerWaalsContact O-CG 3.26Å; V443-L447 WeakPolarHBondContact O-CG 3.29Å; V443-L447 PolarHBondContact O-N 3.43Å; V443-V465 HydrophobicContact CG2-CG2 4.48Å; V443-V469 HydrophobicContact CG2-CG2 3.87Å; V443-A479 HydrophobicContact CG1-CB 4.07Å; V443-A479 HydrophobicContact CG2-CB 4.42Å |
| 444 | D | 94.3 | Very high | 92.5 | Very high | 48 Ų | 48 | 38.3 Ų | 38.3 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -56.9 | -40.7 | 176.9 | -75.1 | -16.6 | 0 | 0 | 0 | 113.1 | T440 Y442 N448 Y478 | T440-D444 PolarHBondContact O-N 3.45Å; Y442-D444 PolarHBondContact O-N 3.06Å; D444-N448 WeakPolarHBondContact O-CB 3.49Å; D444-N448 PolarHBondContact O-N 2.79Å; D444-N448 PolarHBondContact O-ND2 2.76Å; D444-Y478 WeakPolarHBondContact OD1-CE1 3.33Å; D444-Y478 PolarHBondContact OD1-OH 2.98Å; D444-Y478 PolarHBondContact OD2-OH 3.04Å; D444-Y478 VanDerWaalsContact OD2-OH 3.07Å |
| 445 | T | 95 | Very high | 92.5 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65 | -48.5 | 179.4 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | V406 L410 V428 A432 W441 Y442 V443 N448 L449 | V406-T445 HydrophobicContact CG1-CG2 3.52Å; L410-T445 HydrophobicContact CD1-CG2 4.45Å; V428-T445 HydrophobicContact CG1-CG2 3.89Å; A432-T445 HydrophobicContact CB-CG2 3.77Å; W441-T445 VanDerWaalsContact O-CB 3.3Å; W441-T445 WeakPolarHBondContact O-CB 3.48Å; W441-T445 PolarHBondContact O-N 3.04Å; W441-T445 PolarHBondContact O-OG1 3.23Å; Y442-T445 PolarHBondContact O-N 3.06Å; V443-T445 VanDerWaalsContact C-N 3.28Å; V443-T445 PolarHBondContact O-N 2.95Å; T445-N448 PolarHBondContact O-N 3.44Å; T445-L449 WeakPolarHBondContact O-CB 3.5Å; T445-L449 PolarHBondContact O-N 3.22Å |
| 446 | I | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.2 | -37.6 | -178.7 | -59.6 | -64.6 | 0 | 0 | 0 | 111.6 | A429 Y442 V443 L449 I450 V461 V465 | A429-I446 HydrophobicContact CB-CD1 4.06Å; Y442-I446 HydrophobicContact CD2-CG1 4.27Å; Y442-I446 HydrophobicContact CE1-CG1 4.08Å; Y442-I446 HydrophobicContact CE2-CD1 4.04Å; Y442-I446 HydrophobicContact CE2-CG1 3.77Å; Y442-I446 WeakPolarHBondContact O-CG1 3.37Å; Y442-I446 PolarHBondContact O-N 3.08Å; V443-I446 PolarHBondContact O-N 3.13Å; I446-L449 HydrophobicContact CD1-CD2 4.38Å; I446-L449 WeakPolarHBondContact O-CB 3.45Å; I446-L449 PolarHBondContact O-N 3.37Å; I446-I450 HydrophobicContact CG2-CD1 4Å; I446-I450 WeakPolarHBondContact O-CG1 3.21Å; I446-I450 PolarHBondContact O-N 3.29Å; I446-V461 HydrophobicContact CD1-CG1 4.03Å; I446-V461 HydrophobicContact CG2-CG1 4.22Å; I446-V465 HydrophobicContact CB-CB 4.47Å; I446-V465 HydrophobicContact CB-CG2 4.37Å; I446-V465 HydrophobicContact CG2-CB 3.99Å; I446-V465 HydrophobicContact CG2-CG1 4Å; I446-V465 HydrophobicContact CG2-CG2 4.31Å |
| 447 | L | 92.8 | Very high | 92.5 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -39.9 | 176.2 | -65.3 | 178.3 | 0 | 0 | 0 | 112 | V443 L449 I450 R451 T482 V483 L496 V499 | V443-L447 HydrophobicContact CG1-CD1 3.6Å; V443-L447 HydrophobicContact CG1-CG 4.16Å; V443-L447 WeakPolarHBondContact O-CB 3.23Å; V443-L447 VanDerWaalsContact O-CG 3.26Å; V443-L447 WeakPolarHBondContact O-CG 3.29Å; V443-L447 PolarHBondContact O-N 3.43Å; L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 2.88Å; L447-I450 PolarHBondContact O-N 3.25Å; L447-R451 WeakPolarHBondContact O-CB 3.47Å; L447-R451 PolarHBondContact O-N 3.05Å; L447-T482 HydrophobicContact CD1-CG2 3.73Å; L447-V483 HydrophobicContact CD1-CG2 3.47Å; L447-V483 VanDerWaalsContact CD1-CG2 3.47Å; L447-V483 HydrophobicContact CD2-CG2 3.65Å; L447-V483 HydrophobicContact CG-CG2 4.2Å; L447-L496 HydrophobicContact CD2-CD1 3.89Å; L447-V499 HydrophobicContact CD2-CG1 4.15Å |
| 448 | N | 93.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 34 Ų | 34 | 31% | 0.31 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.5 | -36.2 | 171 | -84.3 | -67.7 | 0 | 0 | 0 | 112.4 | L410 D444 T445 R451 I452 | L410-N448 HydrophobicContact CD1-CB 4.45Å; D444-N448 WeakPolarHBondContact O-CB 3.49Å; D444-N448 PolarHBondContact O-N 2.79Å; D444-N448 PolarHBondContact O-ND2 2.76Å; T445-N448 PolarHBondContact O-N 3.44Å; N448-R451 WeakPolarHBondContact O-CB 3.41Å; N448-R451 PolarHBondContact O-N 3.41Å; N448-R451 PolarHBondContact OD1-NE 2.98Å; N448-R451 VanDerWaalsContact OD1-NE 3.11Å; N448-R451 PolarHBondContact OD1-NH2 3.25Å; N448-I452 WeakPolarHBondContact O-CB 3.45Å; N448-I452 VanDerWaalsContact O-CG1 3.32Å; N448-I452 WeakPolarHBondContact O-CG1 3.28Å; N448-I452 PolarHBondContact O-N 3.48Å |
| 449 | L | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 176.6 | -162.8 | 65 | 0 | 0 | 0 | 111.9 | L410 L413 V425 V428 A429 T445 I446 L447 A453 V457 | L410-L449 HydrophobicContact CD2-CB 4.4Å; L410-L449 HydrophobicContact CD2-CD1 3.66Å; L413-L449 HydrophobicContact CD2-CD1 3.54Å; V425-L449 HydrophobicContact CB-CD1 4.38Å; V425-L449 HydrophobicContact CG1-CD2 3.92Å; V425-L449 HydrophobicContact CG1-CG 4.13Å; V425-L449 HydrophobicContact CG2-CD1 3.91Å; V425-L449 HydrophobicContact CG2-CG 4.22Å; V428-L449 HydrophobicContact CB-CD1 4.15Å; V428-L449 HydrophobicContact CB-CD2 4.39Å; V428-L449 HydrophobicContact CG1-CD1 3.98Å; V428-L449 HydrophobicContact CG1-CD2 4.2Å; A429-L449 HydrophobicContact CB-CD2 4.3Å; T445-L449 WeakPolarHBondContact O-CB 3.5Å; T445-L449 PolarHBondContact O-N 3.22Å; I446-L449 HydrophobicContact CD1-CD2 4.38Å; I446-L449 WeakPolarHBondContact O-CB 3.45Å; I446-L449 PolarHBondContact O-N 3.37Å; L447-L449 VanDerWaalsContact C-N 3.31Å; L447-L449 PolarHBondContact O-N 2.88Å; L449-A453 PolarHBondContact O-N 2.91Å; L449-V457 HydrophobicContact CG-CG2 4.39Å |
| 450 | I | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 173.7 | -65.2 | 165.8 | 0 | 0 | 0 | 111.2 | I446 L447 G454 V457 W462 N495 L496 V499 | I446-I450 HydrophobicContact CG2-CD1 4Å; I446-I450 WeakPolarHBondContact O-CG1 3.21Å; I446-I450 PolarHBondContact O-N 3.29Å; L447-I450 PolarHBondContact O-N 3.25Å; I450-G454 WeakPolarHBondContact O-CA 3.36Å; I450-G454 PolarHBondContact O-N 3.21Å; I450-V457 HydrophobicContact CG1-CB 4.42Å; I450-V457 HydrophobicContact CG1-CG1 4.06Å; I450-V457 HydrophobicContact CG1-CG2 4.05Å; I450-W462 HydrophobicContact CD1-CB 4.4Å; I450-N495 HydrophobicContact CG2-CB 4.06Å; I450-L496 HydrophobicContact CG2-CB 3.8Å; I450-V499 HydrophobicContact CD1-CG2 4.05Å |
| 451 | R | 91.4 | Very high | 92.4 | Very high | 144 Ų | 144 | 32.8 Ų | 32.8 | 54% | 0.543 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.9 | -174.8 | -173.4 | 65.4 | 72.6 | -1.6 | 112.7 | E414 L447 N448 | E414-R451 IonicContact OE1-NH2 3.8Å; L447-R451 WeakPolarHBondContact O-CB 3.47Å; L447-R451 PolarHBondContact O-N 3.05Å; N448-R451 WeakPolarHBondContact O-CB 3.41Å; N448-R451 PolarHBondContact O-N 3.41Å; N448-R451 PolarHBondContact OD1-NE 2.98Å; N448-R451 VanDerWaalsContact OD1-NE 3.11Å; N448-R451 PolarHBondContact OD1-NH2 3.25Å |
| 452 | I | 91.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -85.2 | -41.9 | -174.1 | -66.9 | 165.1 | 0 | 0 | 0 | 112.2 | L410 L413 E414 N448 | L410-I452 HydrophobicContact CD2-CD1 4.32Å; L413-I452 HydrophobicContact CB-CG2 4.34Å; L413-I452 HydrophobicContact CD2-CG2 4.06Å; L413-I452 HydrophobicContact CG-CG2 3.98Å; E414-I452 HydrophobicContact CB-CG2 4.43Å; E414-I452 HydrophobicContact CG-CD1 3.94Å; E414-I452 HydrophobicContact CG-CG1 4.07Å; E414-I452 HydrophobicContact CG-CG2 3.69Å; N448-I452 WeakPolarHBondContact O-CB 3.45Å; N448-I452 VanDerWaalsContact O-CG1 3.32Å; N448-I452 WeakPolarHBondContact O-CG1 3.28Å; N448-I452 PolarHBondContact O-N 3.48Å |
| 453 | A | 91.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -138.9 | 35.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L413 V425 L449 D455 Y456 V457 | L413-A453 HydrophobicContact CD1-CB 4.21Å; L413-A453 HydrophobicContact CD2-CB 3.72Å; L413-A453 HydrophobicContact CG-CB 4Å; V425-A453 HydrophobicContact CG2-CB 3.8Å; L449-A453 PolarHBondContact O-N 2.91Å; A453-D455 PolarHBondContact O-N 3.24Å; A453-Y456 HydrophobicContact CB-CD2 4.39Å; A453-Y456 WeakPolarHBondContact O-CA 3.41Å; A453-Y456 WeakPolarHBondContact O-CB 3.01Å; A453-Y456 PolarHBondContact O-N 2.94Å; A453-V457 PolarHBondContact O-N 3.12Å |
| 454 | G | 89.1 | Confident | 92 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -50.5 | -34 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I450 Y456 V457 H493 N495 | I450-G454 WeakPolarHBondContact O-CA 3.36Å; I450-G454 PolarHBondContact O-N 3.21Å; G454-Y456 PolarHBondContact O-N 2.95Å; G454-V457 PolarHBondContact O-N 2.63Å; G454-V457 VanDerWaalsContact O-N 3.14Å; G454-H493 PolarHBondContact O-CE1 2.98Å; G454-N495 PolarHBondContact O-ND2 3.13Å |
| 455 | D | 90.1 | Very high | 91.9 | Very high | 122 Ų | 122 | 36.5 Ų | 36.5 | 65% | 0.652 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -62 | -27.3 | 176.3 | -55.8 | -56.3 | 0 | 0 | 0 | 113.2 | A453 H493 | A453-D455 PolarHBondContact O-N 3.24Å; D455-H493 WeakPolarHBondContact CA-NE2 3.34Å; D455-H493 WeakPolarHBondContact CB-NE2 3.38Å; D455-H493 PolarHBondContact N-NE2 3.48Å; D455-H493 IonicContact OD1-CD2 3.4Å; D455-H493 PolarHBondContact OD1-CD2 3.37Å; D455-H493 IonicContact OD1-NE2 1.86Å; D455-H493 PolarHBondContact OD1-NE2 3.05Å; D455-H493 IonicContact OD2-NE2 3.59Å |
| 456 | Y | 91.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 24% | 0.239 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -99.5 | -3.5 | -179.5 | -58.8 | -78 | 0 | 0 | 0 | 112.6 | Y418 R421 E422 A453 G454 S458 | Y418-Y456 WeakPolarHBondContact CB-OH 3.39Å; Y418-Y456 HydrophobicContact CD1-CE2 4.03Å; Y418-Y456 AromaticContact CD1-CZ 3.91Å; Y418-Y456 WeakPolarHBondContact CD1-OH 3.27Å; Y418-Y456 WeakPolarHBondContact O-CE1 3.26Å; R421-Y456 HydrophobicContact CB-CD1 4.18Å; R421-Y456 HydrophobicContact CB-CD2 3.74Å; R421-Y456 HydrophobicContact CB-CE2 4.16Å; R421-Y456 HydrophobicContact CB-CG 3.76Å; R421-Y456 HydrophobicContact CG-CD2 4.4Å; R421-Y456 HydrophobicContact CG-CE2 4.49Å; E422-Y456 HydrophobicContact CB-CD1 3.99Å; E422-Y456 HydrophobicContact CG-CD1 4.41Å; A453-Y456 HydrophobicContact CB-CD2 4.39Å; A453-Y456 WeakPolarHBondContact O-CA 3.41Å; A453-Y456 WeakPolarHBondContact O-CB 3.01Å; A453-Y456 PolarHBondContact O-N 2.94Å; G454-Y456 PolarHBondContact O-N 2.95Å; Y456-S458 PolarHBondContact O-N 3.23Å |
| 457 | V | 92.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | trans | -77.1 | 106 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | V425 L449 I450 A453 G454 V461 N495 | V425-V457 HydrophobicContact CG1-CB 4.41Å; V425-V457 HydrophobicContact CG1-CG2 3.88Å; L449-V457 HydrophobicContact CG-CG2 4.39Å; I450-V457 HydrophobicContact CG1-CB 4.42Å; I450-V457 HydrophobicContact CG1-CG1 4.06Å; I450-V457 HydrophobicContact CG1-CG2 4.05Å; A453-V457 PolarHBondContact O-N 3.12Å; G454-V457 PolarHBondContact O-N 2.63Å; G454-V457 VanDerWaalsContact O-N 3.14Å; V457-V461 HydrophobicContact CG1-CB 3.82Å; V457-V461 HydrophobicContact CG1-CG1 3.89Å; V457-N495 PolarHBondContact O-ND2 3Å | ||
| 458 | S | 88.9 | Confident | 91.7 | Very high | 19 Ų | 19 | 39 Ų | 39 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | trans | -71.2 | 153.4 | 178.3 | 97.8 | 0 | 0 | 0 | 0 | 112.1 | Y456 E460 V461 K615 | Y456-S458 PolarHBondContact O-N 3.23Å; S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.26Å; S458-E460 VanDerWaalsContact O-N 3.16Å; S458-V461 WeakPolarHBondContact O-CB 3.18Å; S458-V461 PolarHBondContact O-N 3.47Å; S458-K615 PolarHBondContact OG-NZ 3.14Å | ||
| 459 | E | 90.1 | Very high | 91.7 | Very high | 97 Ų | 97 | 36.2 Ų | 36.2 | 45% | 0.453 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.3 | -37.1 | -169 | -54.8 | -165.4 | 135.3 | 0 | 0 | 114.7 | V461 W462 Y463 | E459-V461 PolarHBondContact O-N 2.94Å; E459-V461 VanDerWaalsContact O-N 3.13Å; E459-W462 PolarHBondContact O-N 2.92Å; E459-W462 VanDerWaalsContact O-N 3.11Å; E459-Y463 VanDerWaalsContact C-CD2 3.49Å; E459-Y463 HydrophobicContact CB-CD2 4Å; E459-Y463 HydrophobicContact CB-CE2 3.47Å; E459-Y463 VanDerWaalsContact CB-CE2 3.47Å; E459-Y463 WeakPolarHBondContact O-CB 3.4Å; E459-Y463 WeakPolarHBondContact O-CD2 3.4Å; E459-Y463 VanDerWaalsContact O-CG 3.3Å; E459-Y463 PolarHBondContact O-N 3.36Å; E459-Y463 PolarHBondContact OE2-OH 2.94Å |
| 460 | E | 88.9 | Confident | 91.6 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.22 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.8 | -33.4 | 175.6 | -66.8 | 146 | -130.6 | 0 | 0 | 113.5 | S458 R464 I612 K615 | S458-E460 VanDerWaalsContact C-N 3.28Å; S458-E460 PolarHBondContact O-N 3.26Å; S458-E460 VanDerWaalsContact O-N 3.16Å; E460-R464 WeakPolarHBondContact O-CB 3.5Å; E460-R464 PolarHBondContact O-N 2.86Å; E460-I612 HydrophobicContact CB-CG1 4.03Å; E460-K615 VanDerWaalsContact CD-CD 3.46Å; E460-K615 WeakPolarHBondContact OE1-CD 3.43Å; E460-K615 IonicContact OE1-NZ 2.59Å; E460-K615 PolarHBondContact OE1-NZ 3.21Å; E460-K615 VanDerWaalsContact OE2-CB 3.26Å; E460-K615 WeakPolarHBondContact OE2-CB 3.34Å; E460-K615 WeakPolarHBondContact OE2-CD 3.24Å; E460-K615 IonicContact OE2-NZ 2.78Å |
| 461 | V | 91.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.7 | -43.8 | 179.7 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | A429 I446 V457 S458 E459 R464 V465 I612 | A429-V461 HydrophobicContact CB-CG1 3.8Å; A429-V461 HydrophobicContact CB-CG2 3.88Å; I446-V461 HydrophobicContact CD1-CG1 4.03Å; I446-V461 HydrophobicContact CG2-CG1 4.22Å; V457-V461 HydrophobicContact CG1-CB 3.82Å; V457-V461 HydrophobicContact CG1-CG1 3.89Å; S458-V461 WeakPolarHBondContact O-CB 3.18Å; S458-V461 PolarHBondContact O-N 3.47Å; E459-V461 PolarHBondContact O-N 2.94Å; E459-V461 VanDerWaalsContact O-N 3.13Å; V461-R464 PolarHBondContact O-N 3.49Å; V461-V465 PolarHBondContact O-N 2.86Å; V461-I612 HydrophobicContact CG2-CD1 4.26Å; V461-I612 HydrophobicContact CG2-CG2 4.48Å |
| 462 | W | 92.2 | Very high | 91.5 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -82.2 | -25.9 | -178.4 | 75.9 | -108.2 | 0 | 0 | 0 | 113 | I450 E459 R464 V465 I466 K498 V499 | I450-W462 HydrophobicContact CD1-CB 4.4Å; E459-W462 PolarHBondContact O-N 2.92Å; E459-W462 VanDerWaalsContact O-N 3.11Å; W462-R464 VanDerWaalsContact C-N 3.34Å; W462-V465 WeakPolarHBondContact O-CG1 3.06Å; W462-I466 HydrophobicContact CE3-CD1 3.76Å; W462-I466 HydrophobicContact CZ3-CD1 3.84Å; W462-I466 WeakPolarHBondContact O-CG1 3.45Å; W462-K498 HydrophobicContact CE3-CB 4.41Å; W462-K498 HydrophobicContact CH2-CB 4.34Å; W462-K498 HydrophobicContact CH2-CD 3.9Å; W462-K498 HydrophobicContact CZ2-CD 3.58Å; W462-K498 HydrophobicContact CZ3-CB 4.22Å; W462-V499 HydrophobicContact CB-CG2 3.72Å; W462-V499 HydrophobicContact CE3-CG2 4.26Å; W462-V499 HydrophobicContact CG-CG2 4.44Å |
| 463 | Y | 92.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 41.9 Ų | 41.9 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 163.2 | -65.7 | -39.8 | 0 | 0 | 0 | 111.3 | E459 I466 Q467 | E459-Y463 VanDerWaalsContact C-CD2 3.49Å; E459-Y463 HydrophobicContact CB-CD2 4Å; E459-Y463 HydrophobicContact CB-CE2 3.47Å; E459-Y463 VanDerWaalsContact CB-CE2 3.47Å; E459-Y463 WeakPolarHBondContact O-CB 3.4Å; E459-Y463 WeakPolarHBondContact O-CD2 3.4Å; E459-Y463 VanDerWaalsContact O-CG 3.3Å; E459-Y463 PolarHBondContact O-N 3.36Å; E459-Y463 PolarHBondContact OE2-OH 2.94Å; Y463-I466 PolarHBondContact O-N 2.93Å; Y463-Q467 WeakPolarHBondContact O-CG 3.32Å; Y463-Q467 PolarHBondContact O-N 2.83Å |
| 464 | R | 91.2 | Very high | 91.4 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 17% | 0.17 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | -175.7 | -169.6 | 56.4 | 163.4 | 171.6 | 0.6 | 113.3 | E433 E460 V461 W462 I466 Q467 I468 I612 | E433-R464 IonicContact OE1-CZ 2.79Å; E433-R464 VanDerWaalsContact OE1-CZ 3.25Å; E433-R464 IonicContact OE1-NE 3.75Å; E433-R464 PolarHBondContact OE1-NE 3.2Å; E433-R464 IonicContact OE1-NH2 3.45Å; E433-R464 PolarHBondContact OE1-NH2 3.01Å; E433-R464 IonicContact OE2-NE 3.27Å; E460-R464 WeakPolarHBondContact O-CB 3.5Å; E460-R464 PolarHBondContact O-N 2.86Å; V461-R464 PolarHBondContact O-N 3.49Å; W462-R464 VanDerWaalsContact C-N 3.34Å; R464-I466 VanDerWaalsContact C-N 3.34Å; R464-I466 PolarHBondContact O-N 3.34Å; R464-Q467 PolarHBondContact O-N 3.4Å; R464-I468 HydrophobicContact CG-CD1 3.93Å; R464-I468 WeakPolarHBondContact O-CG1 3.33Å; R464-I468 PolarHBondContact O-N 3.49Å; R464-I612 HydrophobicContact CB-CD1 3.88Å; R464-I612 HydrophobicContact CG-CD1 3.99Å |
| 465 | V | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 175 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | Y442 V443 I446 V461 W462 I468 V469 V499 | Y442-V465 HydrophobicContact CE1-CB 4.13Å; Y442-V465 HydrophobicContact CE1-CG2 3.96Å; V443-V465 HydrophobicContact CG2-CG2 4.48Å; I446-V465 HydrophobicContact CB-CB 4.47Å; I446-V465 HydrophobicContact CB-CG2 4.37Å; I446-V465 HydrophobicContact CG2-CB 3.99Å; I446-V465 HydrophobicContact CG2-CG1 4Å; I446-V465 HydrophobicContact CG2-CG2 4.31Å; V461-V465 PolarHBondContact O-N 2.86Å; W462-V465 WeakPolarHBondContact O-CG1 3.06Å; V465-I468 PolarHBondContact O-N 2.87Å; V465-V469 HydrophobicContact CG2-CG2 4.34Å; V465-V469 WeakPolarHBondContact O-CB 3.28Å; V465-V469 VanDerWaalsContact O-CG2 3.28Å; V465-V469 WeakPolarHBondContact O-CG2 3.27Å; V465-V469 PolarHBondContact O-N 3.17Å; V465-V499 HydrophobicContact CG1-CG1 4.28Å; V465-V499 HydrophobicContact CG1-CG2 4.22Å |
| 466 | I | 94 | Very high | 91.9 | Very high | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 173.9 | -69.8 | 170.9 | 0 | 0 | 0 | 111 | W462 Y463 R464 I468 V469 I470 Y502 | W462-I466 HydrophobicContact CE3-CD1 3.76Å; W462-I466 HydrophobicContact CZ3-CD1 3.84Å; W462-I466 WeakPolarHBondContact O-CG1 3.45Å; Y463-I466 PolarHBondContact O-N 2.93Å; R464-I466 VanDerWaalsContact C-N 3.34Å; R464-I466 PolarHBondContact O-N 3.34Å; I466-I468 VanDerWaalsContact C-N 3.34Å; I466-I468 PolarHBondContact O-N 2.88Å; I466-V469 PolarHBondContact O-N 3.17Å; I466-I470 HydrophobicContact CG2-CD1 4.1Å; I466-I470 PolarHBondContact O-N 3.33Å; I466-Y502 HydrophobicContact CB-CD1 4.42Å; I466-Y502 HydrophobicContact CD1-CD1 4.09Å; I466-Y502 HydrophobicContact CD1-CG 4Å; I466-Y502 HydrophobicContact CG1-CD1 4.19Å; I466-Y502 HydrophobicContact CG2-CD1 3.4Å; I466-Y502 VanDerWaalsContact CG2-CD1 3.4Å; I466-Y502 HydrophobicContact CG2-CE1 3.26Å; I466-Y502 HydrophobicContact CG2-CG 4.23Å |
| 467 | Q | 92 | Very high | 92.1 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 177.2 | -70.2 | 171.5 | -2.4 | 0 | 0 | 112.3 | Y463 R464 N471 F605 | Y463-Q467 WeakPolarHBondContact O-CG 3.32Å; Y463-Q467 PolarHBondContact O-N 2.83Å; R464-Q467 PolarHBondContact O-N 3.4Å; Q467-N471 WeakPolarHBondContact O-CB 3.44Å; Q467-N471 PolarHBondContact O-N 2.91Å; Q467-N471 PolarHBondContact O-OD1 3.49Å; Q467-F605 HydrophobicContact CB-CB 4.49Å; Q467-F605 HydrophobicContact CB-CD2 4.09Å; Q467-F605 HydrophobicContact CB-CG 4.37Å; Q467-F605 HydrophobicContact CG-CB 4.26Å; Q467-F605 HydrophobicContact CG-CD1 4.19Å; Q467-F605 HydrophobicContact CG-CD2 3.72Å; Q467-F605 HydrophobicContact CG-CE1 4.47Å; Q467-F605 HydrophobicContact CG-CE2 4Å; Q467-F605 HydrophobicContact CG-CG 3.8Å; Q467-F605 HydrophobicContact CG-CZ 4.38Å |
| 468 | I | 90.9 | Very high | 92.2 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 9% | 0.087 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -41.5 | -179.8 | -73.4 | 169.4 | 0 | 0 | 0 | 110.9 | E433 Y439 Y442 R464 V465 I466 N471 R472 | E433-I468 HydrophobicContact CG-CD1 4.41Å; Y439-I468 HydrophobicContact CD1-CG2 3.53Å; Y439-I468 HydrophobicContact CE1-CG2 3.8Å; Y442-I468 HydrophobicContact CD1-CD1 4.36Å; Y442-I468 HydrophobicContact CD1-CG2 4.09Å; Y442-I468 HydrophobicContact CE1-CB 4.2Å; Y442-I468 HydrophobicContact CE1-CD1 3.58Å; Y442-I468 HydrophobicContact CE1-CG1 4.49Å; Y442-I468 HydrophobicContact CE1-CG2 4.07Å; Y442-I468 HydrophobicContact CE2-CD1 4.37Å; R464-I468 HydrophobicContact CG-CD1 3.93Å; R464-I468 WeakPolarHBondContact O-CG1 3.33Å; R464-I468 PolarHBondContact O-N 3.49Å; V465-I468 PolarHBondContact O-N 2.87Å; I466-I468 VanDerWaalsContact C-N 3.34Å; I466-I468 PolarHBondContact O-N 2.88Å; I468-N471 PolarHBondContact O-N 2.83Å; I468-R472 VanDerWaalsContact O-CB 3.23Å; I468-R472 WeakPolarHBondContact O-CB 3.32Å; I468-R472 WeakPolarHBondContact O-CG 3.45Å; I468-R472 PolarHBondContact O-N 3.21Å |
| 469 | V | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 178.3 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | V443 V465 I466 R472 V475 Q476 A479 I503 F507 | V443-V469 HydrophobicContact CG2-CG2 3.87Å; V465-V469 HydrophobicContact CG2-CG2 4.34Å; V465-V469 WeakPolarHBondContact O-CB 3.28Å; V465-V469 VanDerWaalsContact O-CG2 3.28Å; V465-V469 WeakPolarHBondContact O-CG2 3.27Å; V465-V469 PolarHBondContact O-N 3.17Å; I466-V469 PolarHBondContact O-N 3.17Å; V469-R472 PolarHBondContact O-N 3.46Å; V469-V475 HydrophobicContact CG2-CG2 4.36Å; V469-Q476 HydrophobicContact CG1-CG 4.18Å; V469-Q476 VanDerWaalsContact O-CG 3.23Å; V469-Q476 WeakPolarHBondContact O-CG 3.43Å; V469-A479 HydrophobicContact CG1-CB 3.89Å; V469-A479 HydrophobicContact CG2-CB 3.95Å; V469-I503 HydrophobicContact CG1-CD1 4.48Å; V469-I503 HydrophobicContact CG2-CD1 4.42Å; V469-F507 HydrophobicContact CG1-CD2 4.15Å; V469-F507 HydrophobicContact CG1-CE2 3.98Å |
| 470 | I | 93 | Very high | 92.8 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -47.5 | 173.5 | -72.9 | 170.9 | 0 | 0 | 0 | 110.7 | I466 R472 Q476 Y502 F507 M602 F605 | I466-I470 HydrophobicContact CG2-CD1 4.1Å; I466-I470 PolarHBondContact O-N 3.33Å; I470-R472 PolarHBondContact O-N 3.34Å; I470-R472 VanDerWaalsContact O-N 3.08Å; I470-Q476 PolarHBondContact O-NE2 3.49Å; I470-Y502 HydrophobicContact CD1-CE1 3.58Å; I470-Y502 WeakPolarHBondContact CD1-OH 3.49Å; I470-Y502 HydrophobicContact CG1-CE1 4.47Å; I470-F507 HydrophobicContact CG1-CE2 3.95Å; I470-F507 HydrophobicContact CG1-CZ 3.93Å; I470-M602 HydrophobicContact CD1-CB 4.45Å; I470-F605 HydrophobicContact CD1-CD2 4.29Å; I470-F605 HydrophobicContact CD1-CE2 3.69Å |
| 471 | N | 91.8 | Very high | 93.1 | Very high | 64 Ų | 64 | 41.8 Ų | 41.8 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 1.6 | -176.8 | -71.2 | 27.2 | 0 | 0 | 0 | 114.1 | Q467 I468 P604 F605 | Q467-N471 WeakPolarHBondContact O-CB 3.44Å; Q467-N471 PolarHBondContact O-N 2.91Å; Q467-N471 PolarHBondContact O-OD1 3.49Å; I468-N471 PolarHBondContact O-N 2.83Å; N471-P604 WeakPolarHBondContact OD1-CA 3.29Å; N471-F605 PolarHBondContact ND2-O 3.03Å; N471-F605 PolarHBondContact OD1-N 3.29Å |
| 472 | R | 90.2 | Very high | 93.3 | Very high | 91 Ų | 91 | 43 Ų | 43 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | trans | -140 | 88.7 | -172 | -68.8 | -63.5 | -61.8 | -121.1 | -6.4 | 112.7 | I468 V469 I470 D474 V475 | I468-R472 VanDerWaalsContact O-CB 3.23Å; I468-R472 WeakPolarHBondContact O-CB 3.32Å; I468-R472 WeakPolarHBondContact O-CG 3.45Å; I468-R472 PolarHBondContact O-N 3.21Å; V469-R472 PolarHBondContact O-N 3.46Å; I470-R472 PolarHBondContact O-N 3.34Å; I470-R472 VanDerWaalsContact O-N 3.08Å; R472-D474 WeakPolarHBondContact CB-OD1 3.47Å; R472-D474 IonicContact CZ-OD1 2.69Å; R472-D474 IonicContact CZ-OD2 2.73Å; R472-D474 IonicContact NE-OD1 3.95Å; R472-D474 PolarHBondContact NE-OD1 3.3Å; R472-D474 IonicContact NE-OD2 3.92Å; R472-D474 IonicContact NH2-OD1 2.78Å; R472-D474 PolarHBondContact NH2-OD1 3.46Å; R472-D474 IonicContact NH2-OD2 3.66Å; R472-D474 PolarHBondContact NH2-OD2 3.06Å; R472-D474 PolarHBondContact O-N 3.06Å; R472-D474 VanDerWaalsContact O-N 3.12Å; R472-V475 HydrophobicContact CB-CG2 3.87Å; R472-V475 WeakPolarHBondContact O-CG2 3.31Å; R472-V475 PolarHBondContact O-N 3.22Å; R472-V475 VanDerWaalsContact O-N 3.09Å | ||
| 473 | D | 89.7 | Confident | 93.5 | Very high | 124 Ų | 124 | 42.3 Ų | 42.3 | 66% | 0.663 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -54.6 | -31.7 | 179.2 | -48.8 | -29 | 0 | 0 | 0 | 113.5 | V475 Q476 | D473-V475 PolarHBondContact O-N 3.38Å; D473-Q476 PolarHBondContact O-N 3.39Å; D473-Q476 PolarHBondContact OD1-NE2 3.15Å |
| 474 | D | 92.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 37.8 Ų | 37.8 | 56% | 0.556 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.2 | -19.4 | -179.8 | 60.3 | -48.9 | 0 | 0 | 0 | 114.3 | R472 | R472-D474 WeakPolarHBondContact CB-OD1 3.47Å; R472-D474 IonicContact CZ-OD1 2.69Å; R472-D474 IonicContact CZ-OD2 2.73Å; R472-D474 IonicContact NE-OD1 3.95Å; R472-D474 PolarHBondContact NE-OD1 3.3Å; R472-D474 IonicContact NE-OD2 3.92Å; R472-D474 IonicContact NH2-OD1 2.78Å; R472-D474 PolarHBondContact NH2-OD1 3.46Å; R472-D474 IonicContact NH2-OD2 3.66Å; R472-D474 PolarHBondContact NH2-OD2 3.06Å; R472-D474 PolarHBondContact O-N 3.06Å; R472-D474 VanDerWaalsContact O-N 3.12Å |
| 475 | V | 95 | Very high | 93.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -114.8 | -6.6 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 115.1 | T440 V469 R472 D473 G477 Y478 A479 | T440-V475 HydrophobicContact CG2-CG1 4.05Å; V469-V475 HydrophobicContact CG2-CG2 4.36Å; R472-V475 HydrophobicContact CB-CG2 3.87Å; R472-V475 WeakPolarHBondContact O-CG2 3.31Å; R472-V475 PolarHBondContact O-N 3.22Å; R472-V475 VanDerWaalsContact O-N 3.09Å; D473-V475 PolarHBondContact O-N 3.38Å; V475-G477 PolarHBondContact O-N 3.28Å; V475-Y478 PolarHBondContact O-N 3.5Å; V475-A479 WeakPolarHBondContact O-CB 3.15Å; V475-A479 PolarHBondContact O-N 2.89Å |
| 476 | Q | 94.7 | Very high | 93.8 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.4 | -52.4 | -176.4 | -72.7 | 165.6 | 2.6 | 0 | 0 | 112.7 | V469 I470 D473 Y478 A479 A480 F507 L510 | V469-Q476 HydrophobicContact CG1-CG 4.18Å; V469-Q476 VanDerWaalsContact O-CG 3.23Å; V469-Q476 WeakPolarHBondContact O-CG 3.43Å; I470-Q476 PolarHBondContact O-NE2 3.49Å; D473-Q476 PolarHBondContact O-N 3.39Å; D473-Q476 PolarHBondContact OD1-NE2 3.15Å; Q476-Y478 VanDerWaalsContact C-N 3.31Å; Q476-Y478 PolarHBondContact O-N 3.31Å; Q476-A479 PolarHBondContact O-N 2.83Å; Q476-A480 WeakPolarHBondContact O-CB 3.21Å; Q476-A480 PolarHBondContact O-N 3.23Å; Q476-F507 HydrophobicContact CB-CB 4.39Å; Q476-F507 HydrophobicContact CB-CD1 3.93Å; Q476-F507 HydrophobicContact CB-CD2 4.24Å; Q476-F507 HydrophobicContact CB-CE1 4.27Å; Q476-F507 HydrophobicContact CB-CG 3.92Å; Q476-F507 HydrophobicContact CG-CD1 3.86Å; Q476-F507 HydrophobicContact CG-CD2 4.07Å; Q476-F507 HydrophobicContact CG-CE1 3.68Å; Q476-F507 HydrophobicContact CG-CE2 3.9Å; Q476-F507 HydrophobicContact CG-CG 4.06Å; Q476-F507 HydrophobicContact CG-CZ 3.7Å; Q476-L510 HydrophobicContact CB-CD1 3.88Å |
| 477 | G | 94.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 41.9 Ų | 41.9 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.7 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | V475 K481 | V475-G477 PolarHBondContact O-N 3.28Å; G477-K481 PolarHBondContact O-N 3.37Å |
| 478 | Y | 95.7 | Very high | 93.9 | Very high | 87 Ų | 87 | 45 Ų | 45 | 34% | 0.341 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -67.5 | -49.6 | 173.7 | -176.6 | -99.4 | 0 | 0 | 0 | 111.2 | T440 D444 V475 Q476 A480 K481 T482 | T440-Y478 HydrophobicContact CG2-CD1 3.94Å; T440-Y478 HydrophobicContact CG2-CE1 4.37Å; T440-Y478 HydrophobicContact CG2-CG 4.04Å; D444-Y478 WeakPolarHBondContact OD1-CE1 3.33Å; D444-Y478 PolarHBondContact OD1-OH 2.98Å; D444-Y478 PolarHBondContact OD2-OH 3.04Å; D444-Y478 VanDerWaalsContact OD2-OH 3.07Å; V475-Y478 PolarHBondContact O-N 3.5Å; Q476-Y478 VanDerWaalsContact C-N 3.31Å; Q476-Y478 PolarHBondContact O-N 3.31Å; Y478-A480 PolarHBondContact O-N 3.35Å; Y478-K481 PolarHBondContact O-N 3.41Å; Y478-T482 WeakPolarHBondContact CE1-OG1 3.38Å; Y478-T482 PolarHBondContact O-N 3.06Å; Y478-T482 PolarHBondContact O-OG1 2.91Å; Y478-T482 VanDerWaalsContact O-OG1 3.13Å |
| 479 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V443 V469 V475 Q476 K481 T482 V483 I503 | V443-A479 HydrophobicContact CG1-CB 4.07Å; V443-A479 HydrophobicContact CG2-CB 4.42Å; V469-A479 HydrophobicContact CG1-CB 3.89Å; V469-A479 HydrophobicContact CG2-CB 3.95Å; V475-A479 WeakPolarHBondContact O-CB 3.15Å; V475-A479 PolarHBondContact O-N 2.89Å; Q476-A479 PolarHBondContact O-N 2.83Å; A479-K481 PolarHBondContact O-N 3.49Å; A479-T482 PolarHBondContact O-N 3.37Å; A479-V483 WeakPolarHBondContact O-CB 3.3Å; A479-V483 VanDerWaalsContact O-CG2 3.22Å; A479-V483 WeakPolarHBondContact O-CG2 3.42Å; A479-V483 PolarHBondContact O-N 3.36Å; A479-I503 HydrophobicContact CB-CD1 4.41Å; A479-I503 HydrophobicContact CB-CG2 4.28Å |
| 480 | A | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q476 Y478 F484 I503 L504 F507 I511 | Q476-A480 WeakPolarHBondContact O-CB 3.21Å; Q476-A480 PolarHBondContact O-N 3.23Å; Y478-A480 PolarHBondContact O-N 3.35Å; A480-F484 VanDerWaalsContact O-CB 3.27Å; A480-F484 WeakPolarHBondContact O-CB 3.05Å; A480-F484 PolarHBondContact O-N 2.92Å; A480-I503 HydrophobicContact CB-CG2 4.31Å; A480-L504 HydrophobicContact CB-CD2 4.33Å; A480-F507 HydrophobicContact CB-CB 4.3Å; A480-I511 HydrophobicContact CB-CD1 4.23Å; A480-I511 HydrophobicContact CB-CG1 4.41Å; A480-I511 HydrophobicContact CB-CG2 3.95Å |
| 481 | K | 95.6 | Very high | 93.1 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 48% | 0.483 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.6 | -53.6 | 177.7 | -177.7 | -179.7 | 172.8 | -179.5 | 0 | 112.3 | G477 Y478 A479 V483 F484 E485 I511 | G477-K481 PolarHBondContact O-N 3.37Å; Y478-K481 PolarHBondContact O-N 3.41Å; A479-K481 PolarHBondContact O-N 3.49Å; K481-V483 VanDerWaalsContact C-N 3.29Å; K481-V483 PolarHBondContact O-N 2.88Å; K481-F484 WeakPolarHBondContact O-CB 3.02Å; K481-F484 PolarHBondContact O-N 3.1Å; K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 IonicContact NZ-OE1 3.47Å; K481-E485 PolarHBondContact O-N 3.33Å; K481-I511 HydrophobicContact CB-CG2 4.12Å |
| 482 | T | 95.2 | Very high | 92.9 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | -175.3 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | L447 Y478 A479 A486 | L447-T482 HydrophobicContact CD1-CG2 3.73Å; Y478-T482 WeakPolarHBondContact CE1-OG1 3.38Å; Y478-T482 PolarHBondContact O-N 3.06Å; Y478-T482 PolarHBondContact O-OG1 2.91Å; Y478-T482 VanDerWaalsContact O-OG1 3.13Å; A479-T482 PolarHBondContact O-N 3.37Å; T482-A486 VanDerWaalsContact O-CB 3.32Å; T482-A486 WeakPolarHBondContact O-CB 3.34Å; T482-A486 PolarHBondContact O-N 3.49Å |
| 483 | V | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.1 | -37.3 | 175.6 | -175 | 0 | 0 | 0 | 0 | 112.2 | L447 A479 K481 E485 A486 L487 L496 I503 | L447-V483 HydrophobicContact CD1-CG2 3.47Å; L447-V483 VanDerWaalsContact CD1-CG2 3.47Å; L447-V483 HydrophobicContact CD2-CG2 3.65Å; L447-V483 HydrophobicContact CG-CG2 4.2Å; A479-V483 WeakPolarHBondContact O-CB 3.3Å; A479-V483 VanDerWaalsContact O-CG2 3.22Å; A479-V483 WeakPolarHBondContact O-CG2 3.42Å; A479-V483 PolarHBondContact O-N 3.36Å; K481-V483 VanDerWaalsContact C-N 3.29Å; K481-V483 PolarHBondContact O-N 2.88Å; V483-E485 PolarHBondContact O-N 3.47Å; V483-A486 PolarHBondContact O-N 2.87Å; V483-L487 HydrophobicContact CG1-CD1 4.12Å; V483-L487 HydrophobicContact CG1-CG 4.15Å; V483-L487 WeakPolarHBondContact O-CB 3.44Å; V483-L487 VanDerWaalsContact O-CG 3.31Å; V483-L487 WeakPolarHBondContact O-CG 3.34Å; V483-L487 PolarHBondContact O-N 3.08Å; V483-L496 HydrophobicContact CG1-CD1 4.32Å; V483-I503 HydrophobicContact CG2-CD1 4.34Å |
| 484 | F | 95.7 | Very high | 93.2 | Very high | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.9 | -47.4 | 172.3 | 176.3 | -104.7 | 0 | 0 | 0 | 111.6 | A480 K481 L487 Q488 L504 I511 R516 V521 Q522 L525 | A480-F484 VanDerWaalsContact O-CB 3.27Å; A480-F484 WeakPolarHBondContact O-CB 3.05Å; A480-F484 PolarHBondContact O-N 2.92Å; K481-F484 WeakPolarHBondContact O-CB 3.02Å; K481-F484 PolarHBondContact O-N 3.1Å; F484-L487 PolarHBondContact O-N 3.19Å; F484-Q488 WeakPolarHBondContact O-CG 3.5Å; F484-Q488 PolarHBondContact O-N 2.85Å; F484-L504 HydrophobicContact CB-CD2 4.24Å; F484-L504 HydrophobicContact CD2-CD1 4.39Å; F484-I511 HydrophobicContact CB-CD1 3.86Å; F484-I511 HydrophobicContact CG-CD1 4.15Å; F484-R516 VanDerWaalsContact CZ-O 3.28Å; F484-R516 WeakPolarHBondContact CZ-O 3.35Å; F484-V521 HydrophobicContact CE2-CG1 4.29Å; F484-V521 HydrophobicContact CZ-CG1 3.93Å; F484-Q522 HydrophobicContact CD2-CG 4.1Å; F484-Q522 HydrophobicContact CE2-CG 3.98Å; F484-L525 HydrophobicContact CD2-CD2 3.72Å; F484-L525 HydrophobicContact CE2-CD2 3.61Å; F484-L525 HydrophobicContact CZ-CD2 4.45Å |
| 485 | E | 94.2 | Very high | 93.3 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.7 | -69.9 | 179.6 | -178.7 | 0 | 0 | 111.7 | K481 V483 L487 Q488 | K481-E485 WeakPolarHBondContact CE-OE1 3.46Å; K481-E485 IonicContact NZ-OE1 3.47Å; K481-E485 PolarHBondContact O-N 3.33Å; V483-E485 PolarHBondContact O-N 3.47Å; E485-L487 PolarHBondContact O-N 3.48Å; E485-Q488 WeakPolarHBondContact O-CB 3.34Å; E485-Q488 PolarHBondContact O-N 2.99Å |
| 486 | A | 93.5 | Very high | 93.3 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | T482 V483 Q488 A489 L496 | T482-A486 VanDerWaalsContact O-CB 3.32Å; T482-A486 WeakPolarHBondContact O-CB 3.34Å; T482-A486 PolarHBondContact O-N 3.49Å; V483-A486 PolarHBondContact O-N 2.87Å; A486-Q488 VanDerWaalsContact C-N 3.31Å; A486-Q488 PolarHBondContact O-N 3.31Å; A486-A489 WeakPolarHBondContact O-CB 3.34Å; A486-A489 PolarHBondContact O-N 2.96Å; A486-L496 HydrophobicContact CB-CD1 4.37Å; A486-L496 HydrophobicContact CB-CD2 3.98Å |
| 487 | L | 94.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -22.8 | 177.9 | -77.8 | 174 | 0 | 0 | 0 | 113.8 | V483 F484 E485 A489 L496 V497 L504 L525 L526 | V483-L487 HydrophobicContact CG1-CD1 4.12Å; V483-L487 HydrophobicContact CG1-CG 4.15Å; V483-L487 WeakPolarHBondContact O-CB 3.44Å; V483-L487 VanDerWaalsContact O-CG 3.31Å; V483-L487 WeakPolarHBondContact O-CG 3.34Å; V483-L487 PolarHBondContact O-N 3.08Å; F484-L487 PolarHBondContact O-N 3.19Å; E485-L487 PolarHBondContact O-N 3.48Å; L487-A489 PolarHBondContact O-N 3.47Å; L487-L496 HydrophobicContact CD2-CG 4.14Å; L487-V497 HydrophobicContact CD2-CG2 4.16Å; L487-L504 HydrophobicContact CD1-CD1 4.04Å; L487-L525 HydrophobicContact CB-CD2 3.81Å; L487-L525 HydrophobicContact CB-CG 4.23Å; L487-L526 HydrophobicContact CD1-CD2 3.83Å |
| 488 | Q | 93.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 44.1 Ų | 44.1 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.2 | 175.4 | -66.8 | 175.1 | 23.6 | 0 | 0 | 112.7 | F484 E485 A486 L525 | F484-Q488 WeakPolarHBondContact O-CG 3.5Å; F484-Q488 PolarHBondContact O-N 2.85Å; E485-Q488 WeakPolarHBondContact O-CB 3.34Å; E485-Q488 PolarHBondContact O-N 2.99Å; A486-Q488 VanDerWaalsContact C-N 3.31Å; A486-Q488 PolarHBondContact O-N 3.31Å; Q488-L525 HydrophobicContact CG-CD2 4.03Å |
| 489 | A | 91.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 40 Ų | 40 | 34% | 0.339 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -58.3 | 130.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A486 L487 A491 K529 | A486-A489 WeakPolarHBondContact O-CB 3.34Å; A486-A489 PolarHBondContact O-N 2.96Å; L487-A489 PolarHBondContact O-N 3.47Å; A489-A491 VanDerWaalsContact C-N 3.33Å; A489-A491 PolarHBondContact O-N 3.1Å; A489-K529 PolarHBondContact O-NZ 2.95Å |
| 490 | P | 86.5 | Confident | 93.4 | Very high | 124 Ų | 124 | 40 Ų | 40 | 81% | 0.805 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -59 | -46 | 175.7 | -26 | 35 | 0 | 0 | 0 | 111.7 | C492 K529 | P490-C492 PolarHBondContact O-N 3.08Å; P490-K529 PolarHBondContact O-NZ 3.27Å; P490-K529 VanDerWaalsContact O-NZ 3.08Å |
| 491 | A | 83.4 | Confident | 93.4 | Very high | 100 Ų | 100 | 40 Ų | 40 | 83% | 0.826 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -88.4 | 86.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | A489 | A489-A491 VanDerWaalsContact C-N 3.33Å; A489-A491 PolarHBondContact O-N 3.1Å |
| 492 | C | 88.7 | Confident | 93.4 | Very high | 31 Ų | 31 | 36.9 Ų | 36.9 | 21% | 0.209 | 22% | 0.217 | C | C | . | . | trans | -109.8 | 136.6 | 172.2 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | P490 L496 K529 | P490-C492 PolarHBondContact O-N 3.08Å; C492-L496 HydrophobicContact CB-CD2 4.24Å; C492-K529 WeakPolarHBondContact SG-CE 3.37Å; C492-K529 PolarHBondContact SG-NZ 3.4Å | ||
| 493 | H | 92.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 35.7 Ų | 35.7 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | trans | -72.1 | 149.8 | 173.7 | -171.9 | -91.2 | 0 | 0 | 0 | 111.3 | G454 D455 N495 L496 V497 | G454-H493 PolarHBondContact O-CE1 2.98Å; D455-H493 WeakPolarHBondContact CA-NE2 3.34Å; D455-H493 WeakPolarHBondContact CB-NE2 3.38Å; D455-H493 PolarHBondContact N-NE2 3.48Å; D455-H493 IonicContact OD1-CD2 3.4Å; D455-H493 PolarHBondContact OD1-CD2 3.37Å; D455-H493 IonicContact OD1-NE2 1.86Å; D455-H493 PolarHBondContact OD1-NE2 3.05Å; D455-H493 IonicContact OD2-NE2 3.59Å; H493-N495 VanDerWaalsContact C-N 3.31Å; H493-N495 PolarHBondContact CE1-ND2 3.45Å; H493-N495 PolarHBondContact ND1-N 2.8Å; H493-N495 PolarHBondContact O-N 3.46Å; H493-L496 VanDerWaalsContact O-CB 3.3Å; H493-L496 WeakPolarHBondContact O-CB 3.4Å; H493-L496 PolarHBondContact O-N 3.35Å; H493-V497 PolarHBondContact O-N 2.85Å | ||
| 494 | E | 94.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 35.7 Ų | 35.7 | 26% | 0.257 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.2 | -38.2 | -178.1 | 179.5 | 168.6 | -157.9 | 0 | 0 | 113.4 | L496 V497 K498 S534 T537 | E494-L496 PolarHBondContact O-N 3.06Å; E494-V497 WeakPolarHBondContact O-CA 3.26Å; E494-V497 WeakPolarHBondContact O-CB 3.39Å; E494-V497 PolarHBondContact O-N 3.12Å; E494-K498 PolarHBondContact O-N 3.32Å; E494-S534 WeakPolarHBondContact OE1-CA 3.31Å; E494-S534 WeakPolarHBondContact OE1-CB 3.49Å; E494-S534 PolarHBondContact OE1-N 2.97Å; E494-S534 PolarHBondContact OE1-OG 3.28Å; E494-T537 HydrophobicContact CG-CG2 4.24Å; E494-T537 WeakPolarHBondContact CG-OG1 3.48Å; E494-T537 VanDerWaalsContact OE1-CB 3.25Å; E494-T537 WeakPolarHBondContact OE1-CB 3.44Å; E494-T537 PolarHBondContact OE1-OG1 3.17Å |
| 495 | N | 94.2 | Very high | 93.4 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.053 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.6 | -24.9 | 177.4 | -72.8 | -28.7 | 0 | 0 | 0 | 112.1 | I450 G454 V457 H493 K498 V499 | I450-N495 HydrophobicContact CG2-CB 4.06Å; G454-N495 PolarHBondContact O-ND2 3.13Å; V457-N495 PolarHBondContact O-ND2 3Å; H493-N495 VanDerWaalsContact C-N 3.31Å; H493-N495 PolarHBondContact CE1-ND2 3.45Å; H493-N495 PolarHBondContact ND1-N 2.8Å; H493-N495 PolarHBondContact O-N 3.46Å; N495-K498 PolarHBondContact O-N 2.69Å; N495-K498 PolarHBondContact OD1-NZ 2.72Å; N495-V499 WeakPolarHBondContact O-CG2 3.45Å; N495-V499 PolarHBondContact O-N 3.45Å |
| 496 | L | 94.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.4 | -37.7 | 171.2 | -172.7 | 63.9 | 0 | 0 | 0 | 111.2 | L447 I450 V483 A486 L487 C492 H493 E494 K498 V499 G500 | L447-L496 HydrophobicContact CD2-CD1 3.89Å; I450-L496 HydrophobicContact CG2-CB 3.8Å; V483-L496 HydrophobicContact CG1-CD1 4.32Å; A486-L496 HydrophobicContact CB-CD1 4.37Å; A486-L496 HydrophobicContact CB-CD2 3.98Å; L487-L496 HydrophobicContact CD2-CG 4.14Å; C492-L496 HydrophobicContact CB-CD2 4.24Å; H493-L496 VanDerWaalsContact O-CB 3.3Å; H493-L496 WeakPolarHBondContact O-CB 3.4Å; H493-L496 PolarHBondContact O-N 3.35Å; E494-L496 PolarHBondContact O-N 3.06Å; L496-K498 VanDerWaalsContact C-N 3.32Å; L496-V499 PolarHBondContact O-N 3.35Å; L496-G500 PolarHBondContact O-N 2.96Å |
| 497 | V | 95.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -36.5 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 111 | L487 H493 E494 G501 K529 T537 L541 | L487-V497 HydrophobicContact CD2-CG2 4.16Å; H493-V497 PolarHBondContact O-N 2.85Å; E494-V497 WeakPolarHBondContact O-CA 3.26Å; E494-V497 WeakPolarHBondContact O-CB 3.39Å; E494-V497 PolarHBondContact O-N 3.12Å; V497-G501 WeakPolarHBondContact O-CA 3.29Å; V497-G501 PolarHBondContact O-N 3.16Å; V497-K529 HydrophobicContact CG1-CB 4.21Å; V497-K529 HydrophobicContact CG2-CB 4.23Å; V497-K529 HydrophobicContact CG2-CG 4.42Å; V497-T537 HydrophobicContact CB-CG2 4.22Å; V497-T537 HydrophobicContact CG1-CG2 3.94Å; V497-L541 HydrophobicContact CG1-CD1 3.96Å; V497-L541 HydrophobicContact CG1-CD2 4.3Å |
| 498 | K | 95.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 9% | 0.087 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -56.1 | 172.8 | -66.3 | 179 | -172.2 | 165.6 | 0 | 111.8 | W462 E494 N495 L496 G500 G501 Y502 T537 L540 | W462-K498 HydrophobicContact CE3-CB 4.41Å; W462-K498 HydrophobicContact CH2-CB 4.34Å; W462-K498 HydrophobicContact CH2-CD 3.9Å; W462-K498 HydrophobicContact CZ2-CD 3.58Å; W462-K498 HydrophobicContact CZ3-CB 4.22Å; E494-K498 PolarHBondContact O-N 3.32Å; N495-K498 PolarHBondContact O-N 2.69Å; N495-K498 PolarHBondContact OD1-NZ 2.72Å; L496-K498 VanDerWaalsContact C-N 3.32Å; K498-G500 VanDerWaalsContact C-N 3.34Å; K498-G500 PolarHBondContact O-N 2.64Å; K498-G501 PolarHBondContact O-N 3.49Å; K498-Y502 PolarHBondContact O-N 2.87Å; K498-Y502 VanDerWaalsContact O-N 3.12Å; K498-T537 WeakPolarHBondContact CE-OG1 3.35Å; K498-T537 HydrophobicContact CG-CG2 3.87Å; K498-T537 WeakPolarHBondContact CG-OG1 3.35Å; K498-L540 HydrophobicContact CB-CD2 3.88Å; K498-L540 HydrophobicContact CG-CD2 4.3Å; K498-L540 VanDerWaalsContact O-CD2 3.25Å; K498-L540 WeakPolarHBondContact O-CD2 3.22Å |
| 499 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -44.7 | -179.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L447 I450 W462 V465 N495 L496 Y502 I503 | L447-V499 HydrophobicContact CD2-CG1 4.15Å; I450-V499 HydrophobicContact CD1-CG2 4.05Å; W462-V499 HydrophobicContact CB-CG2 3.72Å; W462-V499 HydrophobicContact CE3-CG2 4.26Å; W462-V499 HydrophobicContact CG-CG2 4.44Å; V465-V499 HydrophobicContact CG1-CG1 4.28Å; V465-V499 HydrophobicContact CG1-CG2 4.22Å; N495-V499 WeakPolarHBondContact O-CG2 3.45Å; N495-V499 PolarHBondContact O-N 3.45Å; L496-V499 PolarHBondContact O-N 3.35Å; V499-Y502 PolarHBondContact O-N 3.35Å; V499-I503 HydrophobicContact CG1-CD1 3.61Å; V499-I503 HydrophobicContact CG1-CG1 4.37Å; V499-I503 WeakPolarHBondContact O-CB 3.31Å; V499-I503 WeakPolarHBondContact O-CG1 3.46Å; V499-I503 PolarHBondContact O-N 3.36Å |
| 500 | G | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.9 | -36.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L496 K498 Y502 L504 | L496-G500 PolarHBondContact O-N 2.96Å; K498-G500 VanDerWaalsContact C-N 3.34Å; K498-G500 PolarHBondContact O-N 2.64Å; G500-Y502 VanDerWaalsContact C-N 3.27Å; G500-Y502 PolarHBondContact O-N 2.88Å; G500-L504 VanDerWaalsContact O-CB 3.25Å; G500-L504 WeakPolarHBondContact O-CB 3.4Å; G500-L504 VanDerWaalsContact O-CG 3.25Å; G500-L504 WeakPolarHBondContact O-CG 3.12Å; G500-L504 PolarHBondContact O-N 3.42Å |
| 501 | G | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.5 | -43.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V497 K498 G505 A544 | V497-G501 WeakPolarHBondContact O-CA 3.29Å; V497-G501 PolarHBondContact O-N 3.16Å; K498-G501 PolarHBondContact O-N 3.49Å; G501-G505 PolarHBondContact O-N 3.2Å; G501-G505 VanDerWaalsContact O-N 3.07Å; G501-A544 WeakPolarHBondContact O-CB 3.41Å |
| 502 | Y | 96.6 | Very high | 94.4 | Very high | 47 Ų | 47 | 21.6 Ų | 21.6 | 18% | 0.184 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -70.4 | -53.1 | 177.3 | -165.6 | -83 | 0 | 0 | 0 | 112.6 | I466 I470 K498 V499 G500 L504 G505 E506 L540 | I466-Y502 HydrophobicContact CB-CD1 4.42Å; I466-Y502 HydrophobicContact CD1-CD1 4.09Å; I466-Y502 HydrophobicContact CD1-CG 4Å; I466-Y502 HydrophobicContact CG1-CD1 4.19Å; I466-Y502 HydrophobicContact CG2-CD1 3.4Å; I466-Y502 VanDerWaalsContact CG2-CD1 3.4Å; I466-Y502 HydrophobicContact CG2-CE1 3.26Å; I466-Y502 HydrophobicContact CG2-CG 4.23Å; I470-Y502 HydrophobicContact CD1-CE1 3.58Å; I470-Y502 WeakPolarHBondContact CD1-OH 3.49Å; I470-Y502 HydrophobicContact CG1-CE1 4.47Å; K498-Y502 PolarHBondContact O-N 2.87Å; K498-Y502 VanDerWaalsContact O-N 3.12Å; V499-Y502 PolarHBondContact O-N 3.35Å; G500-Y502 VanDerWaalsContact C-N 3.27Å; G500-Y502 PolarHBondContact O-N 2.88Å; Y502-L504 PolarHBondContact O-N 2.86Å; Y502-G505 WeakPolarHBondContact O-CA 3.48Å; Y502-G505 PolarHBondContact O-N 3.23Å; Y502-E506 HydrophobicContact CD1-CG 4.11Å; Y502-E506 HydrophobicContact CE1-CG 3.71Å; Y502-E506 PolarHBondContact O-N 3.49Å; Y502-E506 PolarHBondContact OH-OE1 3.29Å; Y502-L540 HydrophobicContact CD2-CD1 4.02Å |
| 503 | I | 95.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | -177.1 | -71.7 | 177 | 0 | 0 | 0 | 111.9 | V469 A479 A480 V483 V499 F507 | V469-I503 HydrophobicContact CG1-CD1 4.48Å; V469-I503 HydrophobicContact CG2-CD1 4.42Å; A479-I503 HydrophobicContact CB-CD1 4.41Å; A479-I503 HydrophobicContact CB-CG2 4.28Å; A480-I503 HydrophobicContact CB-CG2 4.31Å; V483-I503 HydrophobicContact CG2-CD1 4.34Å; V499-I503 HydrophobicContact CG1-CD1 3.61Å; V499-I503 HydrophobicContact CG1-CG1 4.37Å; V499-I503 WeakPolarHBondContact O-CB 3.31Å; V499-I503 WeakPolarHBondContact O-CG1 3.46Å; V499-I503 PolarHBondContact O-N 3.36Å; I503-F507 HydrophobicContact CG2-CD2 4.47Å; I503-F507 WeakPolarHBondContact O-CB 3.35Å; I503-F507 PolarHBondContact O-N 2.87Å |
| 504 | L | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.8 | -37.6 | 173.8 | -63.8 | 178.4 | 0 | 0 | 0 | 111.3 | A480 F484 L487 G500 Y502 E506 G508 I511 L526 F548 | A480-L504 HydrophobicContact CB-CD2 4.33Å; F484-L504 HydrophobicContact CB-CD2 4.24Å; F484-L504 HydrophobicContact CD2-CD1 4.39Å; L487-L504 HydrophobicContact CD1-CD1 4.04Å; G500-L504 VanDerWaalsContact O-CB 3.25Å; G500-L504 WeakPolarHBondContact O-CB 3.4Å; G500-L504 VanDerWaalsContact O-CG 3.25Å; G500-L504 WeakPolarHBondContact O-CG 3.12Å; G500-L504 PolarHBondContact O-N 3.42Å; Y502-L504 PolarHBondContact O-N 2.86Å; L504-E506 VanDerWaalsContact C-N 3.27Å; L504-E506 PolarHBondContact O-N 3.28Å; L504-G508 VanDerWaalsContact O-CA 3.24Å; L504-G508 WeakPolarHBondContact O-CA 3.44Å; L504-G508 PolarHBondContact O-N 3.48Å; L504-I511 HydrophobicContact CD2-CD1 3.78Å; L504-L526 HydrophobicContact CD1-CD1 4.41Å; L504-L526 HydrophobicContact CD1-CD2 4.38Å; L504-L526 HydrophobicContact CD1-CG 4.45Å; L504-F548 HydrophobicContact CB-CE1 4.45Å; L504-F548 HydrophobicContact CB-CZ 4.17Å; L504-F548 WeakPolarHBondContact O-CE1 3.46Å |
| 505 | G | 94.6 | Very high | 94.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59 | -33.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G501 Y502 K547 | G501-G505 PolarHBondContact O-N 3.2Å; G501-G505 VanDerWaalsContact O-N 3.07Å; Y502-G505 WeakPolarHBondContact O-CA 3.48Å; Y502-G505 PolarHBondContact O-N 3.23Å; G505-K547 VanDerWaalsContact O-CB 3.28Å; G505-K547 WeakPolarHBondContact O-CB 3.49Å; G505-K547 WeakPolarHBondContact O-CD 3.36Å |
| 506 | E | 93.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -87.2 | -54.2 | 172.6 | -53 | -60.5 | 166 | 0 | 0 | 112.1 | Y502 L504 K547 M602 | Y502-E506 HydrophobicContact CD1-CG 4.11Å; Y502-E506 HydrophobicContact CE1-CG 3.71Å; Y502-E506 PolarHBondContact O-N 3.49Å; Y502-E506 PolarHBondContact OH-OE1 3.29Å; L504-E506 VanDerWaalsContact C-N 3.27Å; L504-E506 PolarHBondContact O-N 3.28Å; E506-K547 IonicContact OE1-NZ 2.69Å; E506-K547 PolarHBondContact OE1-NZ 3.35Å; E506-K547 IonicContact OE2-NZ 2.64Å; E506-K547 PolarHBondContact OE2-NZ 3.42Å; E506-M602 VanDerWaalsContact OE1-CG 3.27Å; E506-M602 WeakPolarHBondContact OE1-CG 3.44Å |
| 507 | F | 95.1 | Very high | 94.2 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -113.9 | 9.3 | -162.1 | -52.8 | -61.4 | 0 | 0 | 0 | 114.4 | V469 I470 Q476 A480 I503 N509 L510 | V469-F507 HydrophobicContact CG1-CD2 4.15Å; V469-F507 HydrophobicContact CG1-CE2 3.98Å; I470-F507 HydrophobicContact CG1-CE2 3.95Å; I470-F507 HydrophobicContact CG1-CZ 3.93Å; Q476-F507 HydrophobicContact CB-CB 4.39Å; Q476-F507 HydrophobicContact CB-CD1 3.93Å; Q476-F507 HydrophobicContact CB-CD2 4.24Å; Q476-F507 HydrophobicContact CB-CE1 4.27Å; Q476-F507 HydrophobicContact CB-CG 3.92Å; Q476-F507 HydrophobicContact CG-CD1 3.86Å; Q476-F507 HydrophobicContact CG-CD2 4.07Å; Q476-F507 HydrophobicContact CG-CE1 3.68Å; Q476-F507 HydrophobicContact CG-CE2 3.9Å; Q476-F507 HydrophobicContact CG-CG 4.06Å; Q476-F507 HydrophobicContact CG-CZ 3.7Å; A480-F507 HydrophobicContact CB-CB 4.3Å; I503-F507 HydrophobicContact CG2-CD2 4.47Å; I503-F507 WeakPolarHBondContact O-CB 3.35Å; I503-F507 PolarHBondContact O-N 2.87Å; F507-N509 WeakPolarHBondContact CA-OD1 3.34Å; F507-N509 PolarHBondContact O-N 3.14Å; F507-N509 PolarHBondContact O-OD1 3.33Å; F507-L510 HydrophobicContact CB-CD1 4.22Å; F507-L510 WeakPolarHBondContact O-CB 3.31Å; F507-L510 PolarHBondContact O-N 2.87Å; F507-L510 VanDerWaalsContact O-N 3.14Å |
| 508 | G | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -63.9 | -20.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | L504 L510 I511 A512 Q522 | L504-G508 VanDerWaalsContact O-CA 3.24Å; L504-G508 WeakPolarHBondContact O-CA 3.44Å; L504-G508 PolarHBondContact O-N 3.48Å; G508-L510 VanDerWaalsContact C-N 3.32Å; G508-L510 PolarHBondContact O-N 2.83Å; G508-I511 WeakPolarHBondContact O-CG1 3.46Å; G508-I511 PolarHBondContact O-N 2.99Å; G508-A512 PolarHBondContact O-N 3.36Å; G508-A512 VanDerWaalsContact O-N 3.14Å; G508-Q522 PolarHBondContact O-NE2 3.39Å |
| 509 | N | 93.6 | Very high | 94.1 | Very high | 52 Ų | 52 | 37.5 Ų | 37.5 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -60 | -37.7 | 171.5 | 59.1 | -14.6 | 0 | 0 | 0 | 112.4 | F507 I511 A512 L551 F552 | F507-N509 WeakPolarHBondContact CA-OD1 3.34Å; F507-N509 PolarHBondContact O-N 3.14Å; F507-N509 PolarHBondContact O-OD1 3.33Å; N509-I511 PolarHBondContact O-N 3.21Å; N509-A512 PolarHBondContact O-N 3.09Å; N509-L551 HydrophobicContact CB-CD2 4.31Å; N509-F552 HydrophobicContact CB-CE1 4.22Å; N509-F552 HydrophobicContact CB-CZ 4.18Å |
| 510 | L | 94.1 | Very high | 94 | Very high | 98 Ų | 98 | 41.2 Ų | 41.2 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -64.8 | -24.8 | -179.5 | -57.2 | -178.2 | 0 | 0 | 0 | 113.2 | Q476 F507 G508 | Q476-L510 HydrophobicContact CB-CD1 3.88Å; F507-L510 HydrophobicContact CB-CD1 4.22Å; F507-L510 WeakPolarHBondContact O-CB 3.31Å; F507-L510 PolarHBondContact O-N 2.87Å; F507-L510 VanDerWaalsContact O-N 3.14Å; G508-L510 VanDerWaalsContact C-N 3.32Å; G508-L510 PolarHBondContact O-N 2.83Å |
| 511 | I | 94.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -109.3 | -3.4 | -179.9 | 67.1 | 167.5 | 0 | 0 | 0 | 113.7 | A480 K481 F484 L504 G508 N509 G513 D514 S517 | A480-I511 HydrophobicContact CB-CD1 4.23Å; A480-I511 HydrophobicContact CB-CG1 4.41Å; A480-I511 HydrophobicContact CB-CG2 3.95Å; K481-I511 HydrophobicContact CB-CG2 4.12Å; F484-I511 HydrophobicContact CB-CD1 3.86Å; F484-I511 HydrophobicContact CG-CD1 4.15Å; L504-I511 HydrophobicContact CD2-CD1 3.78Å; G508-I511 WeakPolarHBondContact O-CG1 3.46Å; G508-I511 PolarHBondContact O-N 2.99Å; N509-I511 PolarHBondContact O-N 3.21Å; I511-G513 PolarHBondContact O-N 3.14Å; I511-D514 PolarHBondContact O-N 3Å; I511-S517 PolarHBondContact O-OG 3.04Å |
| 512 | A | 92.2 | Very high | 94.1 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -17.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | G508 N509 P519 F552 | G508-A512 PolarHBondContact O-N 3.36Å; G508-A512 VanDerWaalsContact O-N 3.14Å; N509-A512 PolarHBondContact O-N 3.09Å; A512-P519 HydrophobicContact CB-CG 3.95Å; A512-F552 HydrophobicContact CB-CE1 3.52Å; A512-F552 HydrophobicContact CB-CZ 3.79Å |
| 513 | G | 89.4 | Confident | 94.1 | Very high | 77 Ų | 77 | 42 Ų | 42 | 79% | 0.794 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -17.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I511 | I511-G513 PolarHBondContact O-N 3.14Š|
| 514 | D | 93 | Very high | 94.1 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 43% | 0.428 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -85.6 | 124.6 | 169.7 | -177.3 | -25.7 | 0 | 0 | 0 | 108.9 | I511 R516 S517 S518 | I511-D514 PolarHBondContact O-N 3Å; D514-R516 PolarHBondContact O-N 2.91Å; D514-R516 VanDerWaalsContact OD1-CB 3.28Å; D514-R516 WeakPolarHBondContact OD1-CB 3.23Å; D514-R516 WeakPolarHBondContact OD1-CG 3.39Å; D514-R516 PolarHBondContact OD1-N 3.3Å; D514-S517 CarbonylContact O-C 3.56Å; D514-S517 VanDerWaalsContact O-C 3.32Å; D514-S517 PolarHBondContact O-N 2.57Å; D514-S517 PolarHBondContact O-OG 3.19Å; D514-S518 PolarHBondContact O-N 3.28Å; D514-S518 VanDerWaalsContact O-N 3.11Å |
| 515 | P | 89.9 | Confident | 94 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 70% | 0.695 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -50.7 | -30.7 | 176.9 | -28.7 | 35.5 | 0 | 0 | 0 | 114.6 | S517 S518 | P515-S517 VanDerWaalsContact C-N 3.3Å; P515-S517 PolarHBondContact O-N 3.07Å; P515-S518 PolarHBondContact O-N 2.81Å; P515-S518 PolarHBondContact O-OG 3.37Å; P515-S518 VanDerWaalsContact O-OG 3.04Å |
| 516 | R | 93.1 | Very high | 94.1 | Very high | 202 Ų | 202 | 46.9 Ų | 46.9 | 76% | 0.762 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -67.7 | -27.5 | 178 | -62.6 | 177 | 175.9 | -161.1 | 0.4 | 113.1 | F484 D514 V521 | F484-R516 VanDerWaalsContact CZ-O 3.28Å; F484-R516 WeakPolarHBondContact CZ-O 3.35Å; D514-R516 PolarHBondContact O-N 2.91Å; D514-R516 VanDerWaalsContact OD1-CB 3.28Å; D514-R516 WeakPolarHBondContact OD1-CB 3.23Å; D514-R516 WeakPolarHBondContact OD1-CG 3.39Å; D514-R516 PolarHBondContact OD1-N 3.3Å; R516-V521 WeakPolarHBondContact O-CG1 3.43Å |
| 517 | S | 94.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -119 | 30.4 | 177.5 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | I511 D514 P515 Q522 | I511-S517 PolarHBondContact O-OG 3.04Å; D514-S517 CarbonylContact O-C 3.56Å; D514-S517 VanDerWaalsContact O-C 3.32Å; D514-S517 PolarHBondContact O-N 2.57Å; D514-S517 PolarHBondContact O-OG 3.19Å; P515-S517 VanDerWaalsContact C-N 3.3Å; P515-S517 PolarHBondContact O-N 3.07Å; S517-Q522 WeakPolarHBondContact O-CG 3.39Å; S517-Q522 PolarHBondContact O-NE2 3.38Å |
| 518 | S | 94.9 | Very high | 94.2 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | trans | -56.6 | 152.8 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | D514 P515 L520 V521 Q522 | D514-S518 PolarHBondContact O-N 3.28Å; D514-S518 VanDerWaalsContact O-N 3.11Å; P515-S518 PolarHBondContact O-N 2.81Å; P515-S518 PolarHBondContact O-OG 3.37Å; P515-S518 VanDerWaalsContact O-OG 3.04Å; S518-L520 VanDerWaalsContact C-N 3.26Å; S518-L520 PolarHBondContact O-N 2.81Å; S518-L520 VanDerWaalsContact O-N 3.14Å; S518-V521 WeakPolarHBondContact O-CA 3.29Å; S518-V521 WeakPolarHBondContact O-CB 3.47Å; S518-V521 PolarHBondContact O-N 2.78Å; S518-V521 WeakPolarHBondContact OG-CG2 3.38Å; S518-Q522 PolarHBondContact O-N 2.86Å | ||
| 519 | P | 94.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 5% | 0.045 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -52.5 | -39.9 | -174.5 | -32.5 | 39.7 | 0 | 0 | 0 | 114.5 | A512 V521 Q522 F523 F552 E554 V555 | A512-P519 HydrophobicContact CB-CG 3.95Å; P519-V521 PolarHBondContact O-N 3.15Å; P519-Q522 PolarHBondContact O-N 2.88Å; P519-F523 WeakPolarHBondContact O-CB 3.34Å; P519-F523 PolarHBondContact O-N 3.33Å; P519-F552 HydrophobicContact CB-CB 3.83Å; P519-F552 HydrophobicContact CB-CD1 3.96Å; P519-F552 HydrophobicContact CB-CD2 3.65Å; P519-F552 HydrophobicContact CB-CE1 4.39Å; P519-F552 HydrophobicContact CB-CE2 4.09Å; P519-F552 HydrophobicContact CB-CG 3.55Å; P519-F552 HydrophobicContact CB-CZ 4.42Å; P519-F552 HydrophobicContact CG-CB 4.08Å; P519-F552 HydrophobicContact CG-CD1 3.38Å; P519-F552 HydrophobicContact CG-CD2 3.97Å; P519-F552 HydrophobicContact CG-CE1 3.64Å; P519-F552 HydrophobicContact CG-CE2 4.18Å; P519-F552 HydrophobicContact CG-CG 3.55Å; P519-F552 HydrophobicContact CG-CZ 4.01Å; P519-E554 WeakPolarHBondContact CD-OE1 3.2Å; P519-E554 WeakPolarHBondContact CG-OE1 3.34Å; P519-V555 HydrophobicContact CB-CG1 3.95Å; P519-V555 HydrophobicContact CB-CG2 4.36Å |
| 520 | L | 94.3 | Very high | 94.3 | Very high | 77 Ų | 77 | 49.6 Ų | 49.6 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 177.1 | -176.4 | 60.8 | 0 | 0 | 0 | 112.4 | S518 N524 V555 T558 | S518-L520 VanDerWaalsContact C-N 3.26Å; S518-L520 PolarHBondContact O-N 2.81Å; S518-L520 VanDerWaalsContact O-N 3.14Å; L520-N524 VanDerWaalsContact O-CB 3.28Å; L520-N524 WeakPolarHBondContact O-CB 3.29Å; L520-N524 PolarHBondContact O-N 3.46Å; L520-N524 PolarHBondContact O-ND2 3.35Å; L520-N524 VanDerWaalsContact O-ND2 3.16Å; L520-V555 HydrophobicContact CB-CG1 3.89Å; L520-V555 HydrophobicContact CD1-CG1 4.24Å; L520-T558 HydrophobicContact CD1-CG2 4.49Å |
| 521 | V | 95.9 | Very high | 94.2 | Very high | 61 Ų | 61 | 50.3 Ų | 50.3 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -71.1 | -42.5 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | F484 R516 S518 P519 F523 N524 L525 | F484-V521 HydrophobicContact CE2-CG1 4.29Å; F484-V521 HydrophobicContact CZ-CG1 3.93Å; R516-V521 WeakPolarHBondContact O-CG1 3.43Å; S518-V521 WeakPolarHBondContact O-CA 3.29Å; S518-V521 WeakPolarHBondContact O-CB 3.47Å; S518-V521 PolarHBondContact O-N 2.78Å; S518-V521 WeakPolarHBondContact OG-CG2 3.38Å; P519-V521 PolarHBondContact O-N 3.15Å; V521-F523 PolarHBondContact O-N 3.28Å; V521-N524 PolarHBondContact O-N 2.9Å; V521-L525 VanDerWaalsContact O-CB 3.27Å; V521-L525 WeakPolarHBondContact O-CB 3.37Å; V521-L525 PolarHBondContact O-N 2.71Å |
| 522 | Q | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 173.6 | -63.5 | -174.4 | 44 | 0 | 0 | 111.4 | F484 G508 S517 S518 P519 L525 L526 F548 | F484-Q522 HydrophobicContact CD2-CG 4.1Å; F484-Q522 HydrophobicContact CE2-CG 3.98Å; G508-Q522 PolarHBondContact O-NE2 3.39Å; S517-Q522 WeakPolarHBondContact O-CG 3.39Å; S517-Q522 PolarHBondContact O-NE2 3.38Å; S518-Q522 PolarHBondContact O-N 2.86Å; P519-Q522 PolarHBondContact O-N 2.88Å; Q522-L525 PolarHBondContact O-N 3.23Å; Q522-L526 WeakPolarHBondContact O-CG 3.49Å; Q522-L526 PolarHBondContact O-N 3.1Å; Q522-L526 VanDerWaalsContact O-N 3.09Å; Q522-F548 HydrophobicContact CB-CE2 3.91Å; Q522-F548 HydrophobicContact CB-CZ 3.87Å |
| 523 | F | 96.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -51.6 | 177.9 | 174.4 | -107.2 | 0 | 0 | 0 | 112 | P519 V521 L525 L526 H527 Y545 F548 T558 I559 V562 | P519-F523 WeakPolarHBondContact O-CB 3.34Å; P519-F523 PolarHBondContact O-N 3.33Å; V521-F523 PolarHBondContact O-N 3.28Å; F523-L525 VanDerWaalsContact C-N 3.27Å; F523-L525 PolarHBondContact O-N 2.94Å; F523-L526 PolarHBondContact O-N 3.43Å; F523-H527 HydrophobicContact CE1-CB 4.42Å; F523-H527 HydrophobicContact CE2-CB 4.44Å; F523-H527 HydrophobicContact CZ-CB 4.22Å; F523-H527 WeakPolarHBondContact O-CB 3.45Å; F523-H527 PolarHBondContact O-N 3.19Å; F523-Y545 AromaticContact CD2-CD1 3.81Å; F523-Y545 HydrophobicContact CD2-CD1 3.81Å; F523-Y545 AromaticContact CD2-CE1 3.86Å; F523-Y545 HydrophobicContact CD2-CE1 3.86Å; F523-Y545 HydrophobicContact CD2-CG 4.41Å; F523-Y545 AromaticContact CE2-CD1 3.68Å; F523-Y545 HydrophobicContact CE2-CD1 3.68Å; F523-Y545 HydrophobicContact CE2-CD2 4.1Å; F523-Y545 AromaticContact CE2-CE1 3.68Å; F523-Y545 HydrophobicContact CE2-CE1 3.68Å; F523-Y545 HydrophobicContact CE2-CE2 4.1Å; F523-Y545 AromaticContact CE2-CG 3.91Å; F523-Y545 HydrophobicContact CE2-CG 3.91Å; F523-Y545 AromaticContact CE2-CZ 3.9Å; F523-F548 HydrophobicContact CB-CD2 4.04Å; F523-F548 HydrophobicContact CB-CE2 4.16Å; F523-F548 HydrophobicContact CD2-CD2 4.39Å; F523-T558 HydrophobicContact CD1-CG2 4.37Å; F523-T558 HydrophobicContact CE1-CG2 3.95Å; F523-I559 HydrophobicContact CD1-CG1 4.34Å; F523-I559 HydrophobicContact CD2-CD1 3.92Å; F523-I559 HydrophobicContact CD2-CG1 3.73Å; F523-I559 HydrophobicContact CE1-CG1 4.29Å; F523-I559 HydrophobicContact CE2-CB 4.39Å; F523-I559 HydrophobicContact CE2-CD1 4.27Å; F523-I559 HydrophobicContact CE2-CG1 3.68Å; F523-I559 HydrophobicContact CE2-CG2 4.26Å; F523-I559 HydrophobicContact CG-CD1 4.33Å; F523-I559 HydrophobicContact CG-CG1 4.07Å; F523-I559 HydrophobicContact CZ-CG1 3.96Å; F523-V562 HydrophobicContact CE1-CG2 4.49Å; F523-V562 HydrophobicContact CZ-CB 4.38Å; F523-V562 HydrophobicContact CZ-CG2 4.02Å |
| 524 | N | 95.8 | Very high | 94.5 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | -179.7 | -73 | -23.5 | 0 | 0 | 0 | 112 | L520 V521 H527 S528 | L520-N524 VanDerWaalsContact O-CB 3.28Å; L520-N524 WeakPolarHBondContact O-CB 3.29Å; L520-N524 PolarHBondContact O-N 3.46Å; L520-N524 PolarHBondContact O-ND2 3.35Å; L520-N524 VanDerWaalsContact O-ND2 3.16Å; V521-N524 PolarHBondContact O-N 2.9Å; N524-H527 PolarHBondContact O-N 2.94Å; N524-S528 WeakPolarHBondContact O-CB 3.49Å; N524-S528 PolarHBondContact O-N 3.4Å |
| 525 | L | 95.4 | Very high | 94.6 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 175.2 | -178.8 | 59.6 | 0 | 0 | 0 | 111.2 | F484 L487 Q488 V521 Q522 F523 H527 S528 | F484-L525 HydrophobicContact CD2-CD2 3.72Å; F484-L525 HydrophobicContact CE2-CD2 3.61Å; F484-L525 HydrophobicContact CZ-CD2 4.45Å; L487-L525 HydrophobicContact CB-CD2 3.81Å; L487-L525 HydrophobicContact CB-CG 4.23Å; Q488-L525 HydrophobicContact CG-CD2 4.03Å; V521-L525 VanDerWaalsContact O-CB 3.27Å; V521-L525 WeakPolarHBondContact O-CB 3.37Å; V521-L525 PolarHBondContact O-N 2.71Å; Q522-L525 PolarHBondContact O-N 3.23Å; F523-L525 VanDerWaalsContact C-N 3.27Å; F523-L525 PolarHBondContact O-N 2.94Å; L525-H527 VanDerWaalsContact C-N 3.35Å; L525-H527 PolarHBondContact O-N 3.16Å; L525-S528 PolarHBondContact O-N 3.04Å; L525-S528 PolarHBondContact O-OG 2.89Å |
| 526 | L | 95.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 176.5 | -68.6 | 178 | 0 | 0 | 0 | 112 | L487 L504 Q522 F523 S528 K529 F530 L541 Y545 F548 | L487-L526 HydrophobicContact CD1-CD2 3.83Å; L504-L526 HydrophobicContact CD1-CD1 4.41Å; L504-L526 HydrophobicContact CD1-CD2 4.38Å; L504-L526 HydrophobicContact CD1-CG 4.45Å; Q522-L526 WeakPolarHBondContact O-CG 3.49Å; Q522-L526 PolarHBondContact O-N 3.1Å; Q522-L526 VanDerWaalsContact O-N 3.09Å; F523-L526 PolarHBondContact O-N 3.43Å; L526-S528 PolarHBondContact O-N 3Å; L526-K529 PolarHBondContact O-N 3.16Å; L526-F530 PolarHBondContact O-N 3.14Å; L526-F530 VanDerWaalsContact O-N 3.07Å; L526-L541 HydrophobicContact CB-CD2 4.26Å; L526-L541 HydrophobicContact CD1-CD2 4.41Å; L526-L541 HydrophobicContact CD2-CD2 3.95Å; L526-L541 HydrophobicContact CG-CD2 4.44Å; L526-Y545 HydrophobicContact CB-CE1 4.15Å; L526-F548 HydrophobicContact CD1-CE2 4.13Å; L526-F548 HydrophobicContact CD1-CZ 4.15Å |
| 527 | H | 95.8 | Very high | 95.1 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 19% | 0.185 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.9 | -31.1 | -179.6 | -163.2 | 62.2 | 0 | 0 | 0 | 113.5 | F523 N524 L525 K529 F530 H531 Y545 V562 | F523-H527 HydrophobicContact CE1-CB 4.42Å; F523-H527 HydrophobicContact CE2-CB 4.44Å; F523-H527 HydrophobicContact CZ-CB 4.22Å; F523-H527 WeakPolarHBondContact O-CB 3.45Å; F523-H527 PolarHBondContact O-N 3.19Å; N524-H527 PolarHBondContact O-N 2.94Å; L525-H527 VanDerWaalsContact C-N 3.35Å; L525-H527 PolarHBondContact O-N 3.16Å; H527-K529 PolarHBondContact O-N 3.43Å; H527-F530 WeakPolarHBondContact O-CB 3.26Å; H527-F530 PolarHBondContact O-N 2.96Å; H527-H531 AromaticContact CE1-CE1 3.6Å; H527-H531 AromaticContact NE2-CE1 3.56Å; H527-Y545 VanDerWaalsContact CA-OH 3.24Å; H527-Y545 WeakPolarHBondContact CA-OH 3.43Å; H527-Y545 AromaticContact ND1-CE2 3.98Å; H527-Y545 AromaticContact ND1-CZ 3.88Å; H527-Y545 PolarHBondContact ND1-OH 3Å; H527-V562 VanDerWaalsContact CE1-CG1 3.4Å; H527-V562 WeakPolarHBondContact CE1-CG1 3.44Å |
| 528 | S | 95.1 | Very high | 95.2 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 50% | 0.497 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.2 | -30.1 | 172.2 | 78.8 | 0 | 0 | 0 | 0 | 113 | N524 L525 L526 | N524-S528 WeakPolarHBondContact O-CB 3.49Å; N524-S528 PolarHBondContact O-N 3.4Å; L525-S528 PolarHBondContact O-N 3.04Å; L525-S528 PolarHBondContact O-OG 2.89Å; L526-S528 PolarHBondContact O-N 3Å |
| 529 | K | 94.2 | Very high | 95.3 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -91.3 | -27.7 | 179.2 | -51.7 | -59.7 | -174.9 | 157.9 | 0 | 112.7 | A489 P490 C492 V497 L526 H527 H531 L532 C533 | A489-K529 PolarHBondContact O-NZ 2.95Å; P490-K529 PolarHBondContact O-NZ 3.27Å; P490-K529 VanDerWaalsContact O-NZ 3.08Å; C492-K529 WeakPolarHBondContact SG-CE 3.37Å; C492-K529 PolarHBondContact SG-NZ 3.4Å; V497-K529 HydrophobicContact CG1-CB 4.21Å; V497-K529 HydrophobicContact CG2-CB 4.23Å; V497-K529 HydrophobicContact CG2-CG 4.42Å; L526-K529 PolarHBondContact O-N 3.16Å; H527-K529 PolarHBondContact O-N 3.43Å; K529-H531 VanDerWaalsContact C-N 3.33Å; K529-H531 PolarHBondContact O-N 2.93Å; K529-H531 VanDerWaalsContact O-N 3.16Å; K529-L532 PolarHBondContact O-N 3.3Å; K529-C533 PolarHBondContact O-SG 3.23Å; K529-C533 VanDerWaalsContact O-SG 3.33Å |
| 530 | F | 95 | Very high | 95.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -44.1 | -51.6 | -174.2 | -177.5 | -94.4 | 0 | 0 | 0 | 114.1 | L526 H527 L532 C533 R538 L541 L542 Y545 | L526-F530 PolarHBondContact O-N 3.14Å; L526-F530 VanDerWaalsContact O-N 3.07Å; H527-F530 WeakPolarHBondContact O-CB 3.26Å; H527-F530 PolarHBondContact O-N 2.96Å; F530-L532 PolarHBondContact O-N 3.38Å; F530-C533 PolarHBondContact O-N 3.16Å; F530-R538 HydrophobicContact CD1-CG 4.29Å; F530-R538 HydrophobicContact CD2-CB 4.28Å; F530-R538 HydrophobicContact CD2-CG 3.97Å; F530-R538 HydrophobicContact CE1-CG 4.17Å; F530-R538 HydrophobicContact CE2-CB 3.72Å; F530-R538 HydrophobicContact CE2-CG 3.84Å; F530-R538 HydrophobicContact CG-CG 4.18Å; F530-R538 HydrophobicContact CZ-CB 3.88Å; F530-R538 HydrophobicContact CZ-CG 3.94Å; F530-R538 VanDerWaalsContact O-CD 3.23Å; F530-R538 WeakPolarHBondContact O-CD 3.5Å; F530-R538 WeakPolarHBondContact O-CG 3.41Å; F530-L541 HydrophobicContact CB-CD1 4.19Å; F530-L541 HydrophobicContact CD2-CB 3.81Å; F530-L541 HydrophobicContact CD2-CD1 3.8Å; F530-L541 HydrophobicContact CD2-CG 4.48Å; F530-L541 HydrophobicContact CE2-CB 4.16Å; F530-L541 HydrophobicContact CG-CD1 4.46Å; F530-L542 HydrophobicContact CE2-CD2 4.1Å; F530-L542 HydrophobicContact CE2-CG 4.1Å; F530-L542 HydrophobicContact CZ-CD2 4.11Å; F530-L542 HydrophobicContact CZ-CG 4.3Å; F530-Y545 AromaticContact CD2-CE2 3.99Å; F530-Y545 HydrophobicContact CD2-CE2 3.99Å; F530-Y545 WeakPolarHBondContact CD2-OH 3.49Å; F530-Y545 HydrophobicContact CE2-CE2 4.13Å |
| 531 | H | 92.4 | Very high | 95.5 | Very high | 113 Ų | 113 | 40.9 Ų | 40.9 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.2 | -175.3 | -64.5 | 90.3 | 0 | 0 | 0 | 114.5 | H527 K529 | H527-H531 AromaticContact CE1-CE1 3.6Å; H527-H531 AromaticContact NE2-CE1 3.56Å; K529-H531 VanDerWaalsContact C-N 3.33Å; K529-H531 PolarHBondContact O-N 2.93Å; K529-H531 VanDerWaalsContact O-N 3.16Å |
| 532 | L | 91.6 | Very high | 95.6 | Very high | 150 Ų | 150 | 38 Ų | 38 | 79% | 0.785 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -7.2 | -177.8 | -58.2 | 176 | 0 | 0 | 0 | 112.8 | K529 F530 | K529-L532 PolarHBondContact O-N 3.3Å; F530-L532 PolarHBondContact O-N 3.38Å |
| 533 | C | 94.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -97.6 | 159.9 | -176.2 | -60 | 0 | 0 | 0 | 0 | 113.1 | K529 F530 T537 R538 | K529-C533 PolarHBondContact O-SG 3.23Å; K529-C533 VanDerWaalsContact O-SG 3.33Å; F530-C533 PolarHBondContact O-N 3.16Å; C533-T537 HydrophobicContact CB-CG2 3.62Å; C533-R538 PolarHBondContact O-NE 2.73Å; C533-R538 VanDerWaalsContact O-NE 3.14Å |
| 534 | S | 95.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 39.4 Ų | 39.4 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | trans | -64.1 | 169.8 | 176.7 | 71.3 | 0 | 0 | 0 | 0 | 112.8 | E494 T537 R538 | E494-S534 WeakPolarHBondContact OE1-CA 3.31Å; E494-S534 WeakPolarHBondContact OE1-CB 3.49Å; E494-S534 PolarHBondContact OE1-N 2.97Å; E494-S534 PolarHBondContact OE1-OG 3.28Å; S534-T537 PolarHBondContact O-N 3.33Å; S534-T537 PolarHBondContact OG-OG1 3.13Å; S534-R538 PolarHBondContact O-N 3.05Å; S534-R538 PolarHBondContact O-NE 2.75Å | ||
| 535 | V | 96.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 35.6 Ų | 35.6 | 26% | 0.261 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -54.4 | -53.2 | 177.3 | 165.1 | 0 | 0 | 0 | 0 | 112.4 | T537 R538 A539 D573 L576 | V535-T537 VanDerWaalsContact C-N 3.3Å; V535-T537 PolarHBondContact O-N 3.06Å; V535-R538 VanDerWaalsContact CG2-NH2 3.3Å; V535-R538 PolarHBondContact O-N 2.78Å; V535-R538 VanDerWaalsContact O-N 3.13Å; V535-A539 PolarHBondContact O-N 3.13Å; V535-D573 HydrophobicContact CG1-CB 4.48Å; V535-D573 VanDerWaalsContact CG1-CG 3.46Å; V535-D573 WeakPolarHBondContact CG1-OD1 3.3Å; V535-D573 WeakPolarHBondContact CG1-OD2 3.2Å; V535-D573 HydrophobicContact CG2-CB 4.33Å; V535-L576 HydrophobicContact CG1-CD1 4.47Å; V535-L576 HydrophobicContact CG1-CG 4.25Å; V535-L576 HydrophobicContact CG2-CD1 4.23Å |
| 536 | P | 95.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 34.4 Ų | 34.4 | 57% | 0.565 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -56.4 | -40 | 179.6 | -28.4 | 35.3 | 0 | 0 | 0 | 114.1 | A539 L540 | P536-A539 PolarHBondContact O-N 3.4Å; P536-L540 PolarHBondContact O-N 3.12Å |
| 537 | T | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -39.9 | 178.8 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | E494 V497 K498 C533 S534 V535 L540 L541 | E494-T537 HydrophobicContact CG-CG2 4.24Å; E494-T537 WeakPolarHBondContact CG-OG1 3.48Å; E494-T537 VanDerWaalsContact OE1-CB 3.25Å; E494-T537 WeakPolarHBondContact OE1-CB 3.44Å; E494-T537 PolarHBondContact OE1-OG1 3.17Å; V497-T537 HydrophobicContact CB-CG2 4.22Å; V497-T537 HydrophobicContact CG1-CG2 3.94Å; K498-T537 WeakPolarHBondContact CE-OG1 3.35Å; K498-T537 HydrophobicContact CG-CG2 3.87Å; K498-T537 WeakPolarHBondContact CG-OG1 3.35Å; C533-T537 HydrophobicContact CB-CG2 3.62Å; S534-T537 PolarHBondContact O-N 3.33Å; S534-T537 PolarHBondContact OG-OG1 3.13Å; V535-T537 VanDerWaalsContact C-N 3.3Å; V535-T537 PolarHBondContact O-N 3.06Å; T537-L540 WeakPolarHBondContact O-CB 3.44Å; T537-L540 PolarHBondContact O-N 2.76Å; T537-L541 HydrophobicContact CG2-CD1 4.4Å; T537-L541 VanDerWaalsContact O-CG 3.31Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.2Å |
| 538 | R | 96.8 | Very high | 95.6 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 21% | 0.211 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64 | -40.3 | 173.3 | -74.6 | -177.5 | -70.2 | 161.1 | 3.7 | 111.9 | F530 C533 S534 V535 L540 L541 L542 L576 | F530-R538 HydrophobicContact CD1-CG 4.29Å; F530-R538 HydrophobicContact CD2-CB 4.28Å; F530-R538 HydrophobicContact CD2-CG 3.97Å; F530-R538 HydrophobicContact CE1-CG 4.17Å; F530-R538 HydrophobicContact CE2-CB 3.72Å; F530-R538 HydrophobicContact CE2-CG 3.84Å; F530-R538 HydrophobicContact CG-CG 4.18Å; F530-R538 HydrophobicContact CZ-CB 3.88Å; F530-R538 HydrophobicContact CZ-CG 3.94Å; F530-R538 VanDerWaalsContact O-CD 3.23Å; F530-R538 WeakPolarHBondContact O-CD 3.5Å; F530-R538 WeakPolarHBondContact O-CG 3.41Å; C533-R538 PolarHBondContact O-NE 2.73Å; C533-R538 VanDerWaalsContact O-NE 3.14Å; S534-R538 PolarHBondContact O-N 3.05Å; S534-R538 PolarHBondContact O-NE 2.75Å; V535-R538 VanDerWaalsContact CG2-NH2 3.3Å; V535-R538 PolarHBondContact O-N 2.78Å; V535-R538 VanDerWaalsContact O-N 3.13Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.09Å; R538-L541 PolarHBondContact O-N 3.42Å; R538-L542 WeakPolarHBondContact O-CG 3.25Å; R538-L542 PolarHBondContact O-N 3.46Å; R538-L576 HydrophobicContact CB-CD1 4.26Å; R538-L576 HydrophobicContact CB-CD2 3.65Å |
| 539 | A | 96.8 | Very high | 95.5 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V535 P536 S543 L576 R579 | V535-A539 PolarHBondContact O-N 3.13Å; P536-A539 PolarHBondContact O-N 3.4Å; A539-S543 PolarHBondContact O-N 3.08Å; A539-S543 PolarHBondContact O-OG 3.05Å; A539-L576 HydrophobicContact CB-CD2 3.88Å; A539-L576 VanDerWaalsContact N-CD2 3.31Å; A539-R579 WeakPolarHBondContact O-CD 3.44Å; A539-R579 PolarHBondContact O-NH1 3.32Å; A539-R579 VanDerWaalsContact O-NH1 3.17Å |
| 540 | L | 97.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.4 | -44.1 | 173.4 | -165.1 | 74.6 | 0 | 0 | 0 | 112.2 | K498 Y502 P536 T537 R538 L542 S543 A544 | K498-L540 HydrophobicContact CB-CD2 3.88Å; K498-L540 HydrophobicContact CG-CD2 4.3Å; K498-L540 VanDerWaalsContact O-CD2 3.25Å; K498-L540 WeakPolarHBondContact O-CD2 3.22Å; Y502-L540 HydrophobicContact CD2-CD1 4.02Å; P536-L540 PolarHBondContact O-N 3.12Å; T537-L540 WeakPolarHBondContact O-CB 3.44Å; T537-L540 PolarHBondContact O-N 2.76Å; R538-L540 VanDerWaalsContact C-N 3.31Å; R538-L540 PolarHBondContact O-N 3.09Å; L540-L542 PolarHBondContact O-N 3.12Å; L540-S543 WeakPolarHBondContact O-CB 3.26Å; L540-S543 PolarHBondContact O-N 3.19Å; L540-S543 VanDerWaalsContact O-N 3.12Å; L540-A544 PolarHBondContact O-N 2.72Å; L540-A544 VanDerWaalsContact O-N 3.08Å |
| 541 | L | 97.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.4 | -35.2 | 178 | -70.8 | 174.3 | 0 | 0 | 0 | 112.5 | V497 L526 F530 T537 R538 S543 A544 Y545 | V497-L541 HydrophobicContact CG1-CD1 3.96Å; V497-L541 HydrophobicContact CG1-CD2 4.3Å; L526-L541 HydrophobicContact CB-CD2 4.26Å; L526-L541 HydrophobicContact CD1-CD2 4.41Å; L526-L541 HydrophobicContact CD2-CD2 3.95Å; L526-L541 HydrophobicContact CG-CD2 4.44Å; F530-L541 HydrophobicContact CB-CD1 4.19Å; F530-L541 HydrophobicContact CD2-CB 3.81Å; F530-L541 HydrophobicContact CD2-CD1 3.8Å; F530-L541 HydrophobicContact CD2-CG 4.48Å; F530-L541 HydrophobicContact CE2-CB 4.16Å; F530-L541 HydrophobicContact CG-CD1 4.46Å; T537-L541 HydrophobicContact CG2-CD1 4.4Å; T537-L541 VanDerWaalsContact O-CG 3.31Å; T537-L541 WeakPolarHBondContact O-CG 3.33Å; T537-L541 PolarHBondContact O-N 3.2Å; R538-L541 PolarHBondContact O-N 3.42Å; L541-S543 VanDerWaalsContact C-N 3.26Å; L541-S543 PolarHBondContact O-N 3.48Å; L541-A544 WeakPolarHBondContact O-CB 3.4Å; L541-A544 PolarHBondContact O-N 3.3Å; L541-Y545 HydrophobicContact CB-CE1 4.48Å; L541-Y545 WeakPolarHBondContact O-CD1 3.38Å; L541-Y545 PolarHBondContact O-N 3.05Å |
| 542 | L | 96.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -38.4 | 171.6 | -69.5 | 175.3 | 0 | 0 | 0 | 111.5 | F530 R538 L540 Y545 I546 L563 Q568 L576 R579 A580 Y583 | F530-L542 HydrophobicContact CE2-CD2 4.1Å; F530-L542 HydrophobicContact CE2-CG 4.1Å; F530-L542 HydrophobicContact CZ-CD2 4.11Å; F530-L542 HydrophobicContact CZ-CG 4.3Å; R538-L542 WeakPolarHBondContact O-CG 3.25Å; R538-L542 PolarHBondContact O-N 3.46Å; L540-L542 PolarHBondContact O-N 3.12Å; L542-Y545 HydrophobicContact CD2-CD2 4.13Å; L542-Y545 HydrophobicContact CD2-CE2 4.48Å; L542-Y545 PolarHBondContact O-N 3.03Å; L542-I546 PolarHBondContact O-N 3.08Å; L542-I546 VanDerWaalsContact O-N 3.17Å; L542-L563 HydrophobicContact CD2-CD2 3.69Å; L542-Q568 HydrophobicContact CD2-CG 4.43Å; L542-L576 HydrophobicContact CD1-CD2 4.07Å; L542-R579 HydrophobicContact CB-CB 4.31Å; L542-R579 HydrophobicContact CD1-CB 3.95Å; L542-A580 HydrophobicContact CD1-CB 4.5Å; L542-Y583 VanDerWaalsContact C-CE2 3.47Å; L542-Y583 HydrophobicContact CB-CD2 4.12Å; L542-Y583 HydrophobicContact CB-CE2 4Å; L542-Y583 VanDerWaalsContact O-CD2 3.29Å; L542-Y583 WeakPolarHBondContact O-CD2 3.45Å; L542-Y583 WeakPolarHBondContact O-CE2 3.44Å |
| 543 | S | 96.4 | Very high | 95.3 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 19% | 0.189 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.2 | -35.8 | 175.3 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | A539 L540 L541 I546 K547 R579 Y583 | A539-S543 PolarHBondContact O-N 3.08Å; A539-S543 PolarHBondContact O-OG 3.05Å; L540-S543 WeakPolarHBondContact O-CB 3.26Å; L540-S543 PolarHBondContact O-N 3.19Å; L540-S543 VanDerWaalsContact O-N 3.12Å; L541-S543 VanDerWaalsContact C-N 3.26Å; L541-S543 PolarHBondContact O-N 3.48Å; S543-I546 VanDerWaalsContact O-CG2 3.25Å; S543-I546 WeakPolarHBondContact O-CG2 3.4Å; S543-K547 WeakPolarHBondContact O-CG 3.39Å; S543-K547 PolarHBondContact O-N 3.15Å; S543-R579 PolarHBondContact OG-NH1 3.39Å; S543-Y583 PolarHBondContact OG-OH 2.82Å |
| 544 | A | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.8 | -38 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G501 L540 L541 K547 F548 | G501-A544 WeakPolarHBondContact O-CB 3.41Å; L540-A544 PolarHBondContact O-N 2.72Å; L540-A544 VanDerWaalsContact O-N 3.08Å; L541-A544 WeakPolarHBondContact O-CB 3.4Å; L541-A544 PolarHBondContact O-N 3.3Å; A544-K547 PolarHBondContact O-N 3.01Å; A544-F548 PolarHBondContact O-N 3.04Å |
| 545 | Y | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -40.6 | 179 | -66.5 | -9.2 | 0 | 0 | 0 | 113 | F523 L526 H527 F530 L541 L542 K547 F548 I549 I559 | F523-Y545 AromaticContact CD2-CD1 3.81Å; F523-Y545 HydrophobicContact CD2-CD1 3.81Å; F523-Y545 AromaticContact CD2-CE1 3.86Å; F523-Y545 HydrophobicContact CD2-CE1 3.86Å; F523-Y545 HydrophobicContact CD2-CG 4.41Å; F523-Y545 AromaticContact CE2-CD1 3.68Å; F523-Y545 HydrophobicContact CE2-CD1 3.68Å; F523-Y545 HydrophobicContact CE2-CD2 4.1Å; F523-Y545 AromaticContact CE2-CE1 3.68Å; F523-Y545 HydrophobicContact CE2-CE1 3.68Å; F523-Y545 HydrophobicContact CE2-CE2 4.1Å; F523-Y545 AromaticContact CE2-CG 3.91Å; F523-Y545 HydrophobicContact CE2-CG 3.91Å; F523-Y545 AromaticContact CE2-CZ 3.9Å; L526-Y545 HydrophobicContact CB-CE1 4.15Å; H527-Y545 VanDerWaalsContact CA-OH 3.24Å; H527-Y545 WeakPolarHBondContact CA-OH 3.43Å; H527-Y545 AromaticContact ND1-CE2 3.98Å; H527-Y545 AromaticContact ND1-CZ 3.88Å; H527-Y545 PolarHBondContact ND1-OH 3Å; F530-Y545 AromaticContact CD2-CE2 3.99Å; F530-Y545 HydrophobicContact CD2-CE2 3.99Å; F530-Y545 WeakPolarHBondContact CD2-OH 3.49Å; F530-Y545 HydrophobicContact CE2-CE2 4.13Å; L541-Y545 HydrophobicContact CB-CE1 4.48Å; L541-Y545 WeakPolarHBondContact O-CD1 3.38Å; L541-Y545 PolarHBondContact O-N 3.05Å; L542-Y545 HydrophobicContact CD2-CD2 4.13Å; L542-Y545 HydrophobicContact CD2-CE2 4.48Å; L542-Y545 PolarHBondContact O-N 3.03Å; Y545-K547 VanDerWaalsContact C-N 3.35Å; Y545-F548 WeakPolarHBondContact O-CB 3.4Å; Y545-F548 PolarHBondContact O-N 2.76Å; Y545-I549 PolarHBondContact O-N 2.68Å; Y545-I549 VanDerWaalsContact O-N 3.09Å; Y545-I559 HydrophobicContact CG-CG2 4.41Å |
| 546 | I | 95.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -32.2 | 176.2 | -167.3 | 56.6 | 0 | 0 | 0 | 111.8 | L542 S543 I549 N550 Y583 L586 L599 | L542-I546 PolarHBondContact O-N 3.08Å; L542-I546 VanDerWaalsContact O-N 3.17Å; S543-I546 VanDerWaalsContact O-CG2 3.25Å; S543-I546 WeakPolarHBondContact O-CG2 3.4Å; I546-I549 HydrophobicContact CD1-CB 4.23Å; I546-I549 HydrophobicContact CD1-CD1 3.91Å; I546-I549 HydrophobicContact CD1-CG2 4.42Å; I546-I549 WeakPolarHBondContact O-CB 3.47Å; I546-I549 PolarHBondContact O-N 3.5Å; I546-N550 PolarHBondContact O-N 2.98Å; I546-Y583 HydrophobicContact CB-CD1 4.17Å; I546-Y583 HydrophobicContact CB-CD2 3.93Å; I546-Y583 HydrophobicContact CB-CG 3.7Å; I546-Y583 WeakPolarHBondContact CD1-O 3.3Å; I546-Y583 HydrophobicContact CG1-CD1 4.09Å; I546-Y583 HydrophobicContact CG1-CG 3.93Å; I546-Y583 HydrophobicContact CG2-CD1 3.85Å; I546-Y583 HydrophobicContact CG2-CD2 3.71Å; I546-Y583 HydrophobicContact CG2-CE1 4.01Å; I546-Y583 HydrophobicContact CG2-CE2 3.88Å; I546-Y583 HydrophobicContact CG2-CG 3.71Å; I546-L586 HydrophobicContact CG1-CD2 4.36Å; I546-L599 HydrophobicContact CG1-CD1 3.83Å; I546-L599 HydrophobicContact CG2-CD2 4.15Å |
| 547 | K | 94.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 29.5 Ų | 29.5 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 169.2 | -70.8 | -168.7 | 170.4 | -158 | 0 | 112.4 | G505 E506 S543 A544 Y545 I549 N550 L551 L599 | G505-K547 VanDerWaalsContact O-CB 3.28Å; G505-K547 WeakPolarHBondContact O-CB 3.49Å; G505-K547 WeakPolarHBondContact O-CD 3.36Å; E506-K547 IonicContact OE1-NZ 2.69Å; E506-K547 PolarHBondContact OE1-NZ 3.35Å; E506-K547 IonicContact OE2-NZ 2.64Å; E506-K547 PolarHBondContact OE2-NZ 3.42Å; S543-K547 WeakPolarHBondContact O-CG 3.39Å; S543-K547 PolarHBondContact O-N 3.15Å; A544-K547 PolarHBondContact O-N 3.01Å; Y545-K547 VanDerWaalsContact C-N 3.35Å; K547-I549 VanDerWaalsContact C-N 3.29Å; K547-I549 PolarHBondContact O-N 2.88Å; K547-N550 WeakPolarHBondContact O-CA 3.41Å; K547-N550 WeakPolarHBondContact O-CB 3.35Å; K547-N550 PolarHBondContact O-N 3.31Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 2.85Å; K547-L599 HydrophobicContact CG-CD2 4.29Å |
| 548 | F | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.7 | -33.6 | 171.1 | -79.7 | 7.7 | 0 | 0 | 0 | 113.2 | L504 Q522 F523 L526 A544 Y545 N550 F552 I559 | L504-F548 HydrophobicContact CB-CE1 4.45Å; L504-F548 HydrophobicContact CB-CZ 4.17Å; L504-F548 WeakPolarHBondContact O-CE1 3.46Å; Q522-F548 HydrophobicContact CB-CE2 3.91Å; Q522-F548 HydrophobicContact CB-CZ 3.87Å; F523-F548 HydrophobicContact CB-CD2 4.04Å; F523-F548 HydrophobicContact CB-CE2 4.16Å; F523-F548 HydrophobicContact CD2-CD2 4.39Å; L526-F548 HydrophobicContact CD1-CE2 4.13Å; L526-F548 HydrophobicContact CD1-CZ 4.15Å; A544-F548 PolarHBondContact O-N 3.04Å; Y545-F548 WeakPolarHBondContact O-CB 3.4Å; Y545-F548 PolarHBondContact O-N 2.76Å; F548-N550 VanDerWaalsContact C-N 3.29Å; F548-N550 PolarHBondContact O-N 2.65Å; F548-F552 HydrophobicContact CB-CD2 4.22Å; F548-F552 HydrophobicContact CD1-CD2 4.05Å; F548-F552 AromaticContact CD1-CE2 3.83Å; F548-F552 HydrophobicContact CD1-CE2 3.83Å; F548-F552 AromaticContact CE1-CE2 3.98Å; F548-F552 HydrophobicContact CE1-CE2 3.98Å; F548-F552 HydrophobicContact CG-CD2 4.12Å; F548-F552 HydrophobicContact CG-CE2 4.31Å; F548-F552 WeakPolarHBondContact O-CA 3.34Å; F548-F552 WeakPolarHBondContact O-CB 3.28Å; F548-F552 PolarHBondContact O-N 3.05Å; F548-I559 HydrophobicContact CB-CD1 3.56Å; F548-I559 HydrophobicContact CD2-CD1 4.41Å |
| 549 | I | 93.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.5 | -34.4 | 172.3 | -70.7 | 171.3 | 0 | 0 | 0 | 111.7 | Y545 I546 K547 K556 I559 Q560 L563 L595 | Y545-I549 PolarHBondContact O-N 2.68Å; Y545-I549 VanDerWaalsContact O-N 3.09Å; I546-I549 HydrophobicContact CD1-CB 4.23Å; I546-I549 HydrophobicContact CD1-CD1 3.91Å; I546-I549 HydrophobicContact CD1-CG2 4.42Å; I546-I549 WeakPolarHBondContact O-CB 3.47Å; I546-I549 PolarHBondContact O-N 3.5Å; K547-I549 VanDerWaalsContact C-N 3.29Å; K547-I549 PolarHBondContact O-N 2.88Å; I549-K556 HydrophobicContact CG1-CG 4.5Å; I549-K556 HydrophobicContact CG2-CB 4.47Å; I549-K556 HydrophobicContact CG2-CD 3.98Å; I549-K556 HydrophobicContact CG2-CG 3.92Å; I549-I559 HydrophobicContact CD1-CB 4.02Å; I549-I559 HydrophobicContact CD1-CG2 3.66Å; I549-I559 HydrophobicContact CG1-CB 3.93Å; I549-I559 HydrophobicContact CG1-CD1 4.13Å; I549-I559 HydrophobicContact CG1-CG2 3.88Å; I549-Q560 HydrophobicContact CD1-CG 4.26Å; I549-L563 HydrophobicContact CD1-CD1 3.99Å; I549-L595 HydrophobicContact CG2-CD1 4.42Å |
| 550 | N | 92.6 | Very high | 94.5 | Very high | 40 Ų | 40 | 31 Ų | 31 | 21% | 0.214 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.7 | -55.2 | 175.3 | -170.3 | 33.4 | 0 | 0 | 0 | 111.5 | I546 K547 F548 F552 L595 A596 L599 | I546-N550 PolarHBondContact O-N 2.98Å; K547-N550 WeakPolarHBondContact O-CA 3.41Å; K547-N550 WeakPolarHBondContact O-CB 3.35Å; K547-N550 PolarHBondContact O-N 3.31Å; F548-N550 VanDerWaalsContact C-N 3.29Å; F548-N550 PolarHBondContact O-N 2.65Å; N550-F552 PolarHBondContact O-N 3.41Å; N550-L595 HydrophobicContact CB-CD2 3.6Å; N550-L595 WeakPolarHBondContact OD1-CD2 3.39Å; N550-A596 WeakPolarHBondContact OD1-CA 3.42Å; N550-L599 HydrophobicContact CB-CB 4.11Å; N550-L599 HydrophobicContact CB-CD1 3.98Å; N550-L599 PolarHBondContact ND2-O 3.27Å; N550-L599 VanDerWaalsContact ND2-O 3.09Å |
| 551 | L | 91.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.288 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.4 | -33.2 | -174.9 | -65.9 | 172.2 | 0 | 0 | 0 | 113.1 | N509 K547 | N509-L551 HydrophobicContact CB-CD2 4.31Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 2.85Å |
| 552 | F | 93.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 7% | 0.07 | 20% | 0.198 | C | C | . | . | trans | -134.7 | 84.7 | -168.3 | -49.8 | -58.8 | 0 | 0 | 0 | 112.1 | N509 A512 P519 F548 N550 E554 V555 | N509-F552 HydrophobicContact CB-CE1 4.22Å; N509-F552 HydrophobicContact CB-CZ 4.18Å; A512-F552 HydrophobicContact CB-CE1 3.52Å; A512-F552 HydrophobicContact CB-CZ 3.79Å; P519-F552 HydrophobicContact CB-CB 3.83Å; P519-F552 HydrophobicContact CB-CD1 3.96Å; P519-F552 HydrophobicContact CB-CD2 3.65Å; P519-F552 HydrophobicContact CB-CE1 4.39Å; P519-F552 HydrophobicContact CB-CE2 4.09Å; P519-F552 HydrophobicContact CB-CG 3.55Å; P519-F552 HydrophobicContact CB-CZ 4.42Å; P519-F552 HydrophobicContact CG-CB 4.08Å; P519-F552 HydrophobicContact CG-CD1 3.38Å; P519-F552 HydrophobicContact CG-CD2 3.97Å; P519-F552 HydrophobicContact CG-CE1 3.64Å; P519-F552 HydrophobicContact CG-CE2 4.18Å; P519-F552 HydrophobicContact CG-CG 3.55Å; P519-F552 HydrophobicContact CG-CZ 4.01Å; F548-F552 HydrophobicContact CB-CD2 4.22Å; F548-F552 HydrophobicContact CD1-CD2 4.05Å; F548-F552 AromaticContact CD1-CE2 3.83Å; F548-F552 HydrophobicContact CD1-CE2 3.83Å; F548-F552 AromaticContact CE1-CE2 3.98Å; F548-F552 HydrophobicContact CE1-CE2 3.98Å; F548-F552 HydrophobicContact CG-CD2 4.12Å; F548-F552 HydrophobicContact CG-CE2 4.31Å; F548-F552 WeakPolarHBondContact O-CA 3.34Å; F548-F552 WeakPolarHBondContact O-CB 3.28Å; F548-F552 PolarHBondContact O-N 3.05Å; N550-F552 PolarHBondContact O-N 3.41Å; F552-E554 HydrophobicContact CB-CG 4.4Å; F552-E554 PolarHBondContact O-N 2.59Å; F552-V555 HydrophobicContact CB-CG2 3.68Å; F552-V555 VanDerWaalsContact O-CG2 3.28Å; F552-V555 WeakPolarHBondContact O-CG2 3.5Å; F552-V555 PolarHBondContact O-N 3.11Å | ||
| 553 | P | 90.4 | Very high | 94.2 | Very high | 100 Ų | 100 | 35 Ų | 35 | 65% | 0.649 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -56 | -26 | 179.5 | -27.9 | 36 | 0 | 0 | 0 | 114.5 | V555 K556 | P553-V555 PolarHBondContact O-N 3.39Å; P553-K556 VanDerWaalsContact O-CB 3.25Å; P553-K556 WeakPolarHBondContact O-CB 3.04Å; P553-K556 PolarHBondContact O-N 3.41Å |
| 554 | E | 91.6 | Very high | 94.1 | Very high | 141 Ų | 141 | 39 Ų | 39 | 66% | 0.659 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -65.2 | -32 | 179.2 | 53.6 | 169.9 | -139.8 | 0 | 0 | 114.8 | P519 F552 | P519-E554 WeakPolarHBondContact CD-OE1 3.2Å; P519-E554 WeakPolarHBondContact CG-OE1 3.34Å; F552-E554 HydrophobicContact CB-CG 4.4Å; F552-E554 PolarHBondContact O-N 2.59Å |
| 555 | V | 93.9 | Very high | 94 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -92.2 | -3.9 | 178.2 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | P519 L520 F552 P553 G557 T558 I559 | P519-V555 HydrophobicContact CB-CG1 3.95Å; P519-V555 HydrophobicContact CB-CG2 4.36Å; L520-V555 HydrophobicContact CB-CG1 3.89Å; L520-V555 HydrophobicContact CD1-CG1 4.24Å; F552-V555 HydrophobicContact CB-CG2 3.68Å; F552-V555 VanDerWaalsContact O-CG2 3.28Å; F552-V555 WeakPolarHBondContact O-CG2 3.5Å; F552-V555 PolarHBondContact O-N 3.11Å; P553-V555 PolarHBondContact O-N 3.39Å; V555-G557 VanDerWaalsContact C-N 3.31Å; V555-G557 PolarHBondContact O-N 3.25Å; V555-T558 PolarHBondContact O-N 2.93Å; V555-I559 HydrophobicContact CB-CD1 4.17Å; V555-I559 HydrophobicContact CB-CG1 4.4Å; V555-I559 HydrophobicContact CG2-CD1 3.69Å; V555-I559 HydrophobicContact CG2-CG1 4.44Å; V555-I559 WeakPolarHBondContact O-CG1 3.14Å; V555-I559 PolarHBondContact O-N 2.79Å; V555-I559 VanDerWaalsContact O-N 3.11Å |
| 556 | K | 93.1 | Very high | 93.8 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 28% | 0.283 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -51.6 | -44.6 | -173.8 | 177.9 | 169.7 | -178.5 | 170.2 | 0 | 113.4 | I549 P553 I559 Q560 S587 | I549-K556 HydrophobicContact CG1-CG 4.5Å; I549-K556 HydrophobicContact CG2-CB 4.47Å; I549-K556 HydrophobicContact CG2-CD 3.98Å; I549-K556 HydrophobicContact CG2-CG 3.92Å; P553-K556 VanDerWaalsContact O-CB 3.25Å; P553-K556 WeakPolarHBondContact O-CB 3.04Å; P553-K556 PolarHBondContact O-N 3.41Å; K556-I559 PolarHBondContact O-N 3.24Å; K556-Q560 HydrophobicContact CG-CG 4.32Å; K556-Q560 WeakPolarHBondContact O-CB 3.21Å; K556-Q560 VanDerWaalsContact O-CG 3.29Å; K556-Q560 WeakPolarHBondContact O-CG 3.42Å; K556-Q560 PolarHBondContact O-N 3.38Å; K556-S587 WeakPolarHBondContact CE-O 3.4Å; K556-S587 PolarHBondContact NZ-O 3.06Å |
| 557 | G | 93.2 | Very high | 93.6 | Very high | 40 Ų | 40 | 48.8 Ų | 48.8 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.8 | -53.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V555 I559 Q560 D561 | V555-G557 VanDerWaalsContact C-N 3.31Å; V555-G557 PolarHBondContact O-N 3.25Å; G557-I559 VanDerWaalsContact C-N 3.32Å; G557-I559 PolarHBondContact O-N 2.69Å; G557-Q560 PolarHBondContact O-N 2.93Å; G557-D561 PolarHBondContact O-N 3.35Å |
| 558 | T | 95 | Very high | 93.4 | Very high | 64 Ų | 64 | 48 Ų | 48 | 39% | 0.393 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.9 | -43.9 | 179.2 | -44.8 | 0 | 0 | 0 | 0 | 112.2 | L520 F523 V555 D561 V562 | L520-T558 HydrophobicContact CD1-CG2 4.49Å; F523-T558 HydrophobicContact CD1-CG2 4.37Å; F523-T558 HydrophobicContact CE1-CG2 3.95Å; V555-T558 PolarHBondContact O-N 2.93Å; T558-D561 PolarHBondContact O-N 2.83Å; T558-V562 PolarHBondContact O-N 2.97Å |
| 559 | I | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 179.9 | -56.9 | 179.9 | 0 | 0 | 0 | 110.7 | F523 Y545 F548 I549 V555 K556 G557 D561 V562 L563 | F523-I559 HydrophobicContact CD1-CG1 4.34Å; F523-I559 HydrophobicContact CD2-CD1 3.92Å; F523-I559 HydrophobicContact CD2-CG1 3.73Å; F523-I559 HydrophobicContact CE1-CG1 4.29Å; F523-I559 HydrophobicContact CE2-CB 4.39Å; F523-I559 HydrophobicContact CE2-CD1 4.27Å; F523-I559 HydrophobicContact CE2-CG1 3.68Å; F523-I559 HydrophobicContact CE2-CG2 4.26Å; F523-I559 HydrophobicContact CG-CD1 4.33Å; F523-I559 HydrophobicContact CG-CG1 4.07Å; F523-I559 HydrophobicContact CZ-CG1 3.96Å; Y545-I559 HydrophobicContact CG-CG2 4.41Å; F548-I559 HydrophobicContact CB-CD1 3.56Å; F548-I559 HydrophobicContact CD2-CD1 4.41Å; I549-I559 HydrophobicContact CD1-CB 4.02Å; I549-I559 HydrophobicContact CD1-CG2 3.66Å; I549-I559 HydrophobicContact CG1-CB 3.93Å; I549-I559 HydrophobicContact CG1-CD1 4.13Å; I549-I559 HydrophobicContact CG1-CG2 3.88Å; V555-I559 HydrophobicContact CB-CD1 4.17Å; V555-I559 HydrophobicContact CB-CG1 4.4Å; V555-I559 HydrophobicContact CG2-CD1 3.69Å; V555-I559 HydrophobicContact CG2-CG1 4.44Å; V555-I559 WeakPolarHBondContact O-CG1 3.14Å; V555-I559 PolarHBondContact O-N 2.79Å; V555-I559 VanDerWaalsContact O-N 3.11Å; K556-I559 PolarHBondContact O-N 3.24Å; G557-I559 VanDerWaalsContact C-N 3.32Å; G557-I559 PolarHBondContact O-N 2.69Å; I559-D561 VanDerWaalsContact C-N 3.3Å; I559-D561 PolarHBondContact O-N 2.74Å; I559-V562 PolarHBondContact O-N 2.92Å; I559-L563 HydrophobicContact CG2-CD1 4.19Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.47Å; I559-L563 PolarHBondContact O-N 2.81Å |
| 560 | Q | 94.7 | Very high | 93.3 | Very high | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -36.6 | 175.7 | -80.1 | -174.2 | -21.3 | 0 | 0 | 112.8 | I549 K556 G557 L563 R564 L584 S587 | I549-Q560 HydrophobicContact CD1-CG 4.26Å; K556-Q560 HydrophobicContact CG-CG 4.32Å; K556-Q560 WeakPolarHBondContact O-CB 3.21Å; K556-Q560 VanDerWaalsContact O-CG 3.29Å; K556-Q560 WeakPolarHBondContact O-CG 3.42Å; K556-Q560 PolarHBondContact O-N 3.38Å; G557-Q560 PolarHBondContact O-N 2.93Å; Q560-L563 PolarHBondContact O-N 2.66Å; Q560-R564 WeakPolarHBondContact O-CB 3.25Å; Q560-R564 PolarHBondContact O-N 3.14Å; Q560-L584 HydrophobicContact CB-CD1 4.45Å; Q560-L584 HydrophobicContact CG-CD1 4.47Å; Q560-S587 PolarHBondContact NE2-O 2.72Å; Q560-S587 VanDerWaalsContact NE2-O 3.13Å; Q560-S587 PolarHBondContact NE2-OG 3.39Å |
| 561 | D | 94.8 | Very high | 93.3 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 177.6 | -68.3 | -17 | 0 | 0 | 0 | 111.8 | G557 T558 I559 R564 S565 | G557-D561 PolarHBondContact O-N 3.35Å; T558-D561 PolarHBondContact O-N 2.83Å; I559-D561 VanDerWaalsContact C-N 3.3Å; I559-D561 PolarHBondContact O-N 2.74Å; D561-R564 PolarHBondContact O-N 3.04Å; D561-R564 IonicContact OD1-CZ 3.79Å; D561-R564 IonicContact OD1-NH1 2.65Å; D561-R564 PolarHBondContact OD1-NH1 3.4Å; D561-S565 PolarHBondContact O-N 3.27Å |
| 562 | V | 95.3 | Very high | 93.4 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.1 | -49 | 170.7 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | F523 H527 T558 I559 R564 S565 Q568 | F523-V562 HydrophobicContact CE1-CG2 4.49Å; F523-V562 HydrophobicContact CZ-CB 4.38Å; F523-V562 HydrophobicContact CZ-CG2 4.02Å; H527-V562 VanDerWaalsContact CE1-CG1 3.4Å; H527-V562 WeakPolarHBondContact CE1-CG1 3.44Å; T558-V562 PolarHBondContact O-N 2.97Å; I559-V562 PolarHBondContact O-N 2.92Å; V562-R564 PolarHBondContact O-N 3.11Å; V562-S565 VanDerWaalsContact O-CB 3.3Å; V562-S565 WeakPolarHBondContact O-CB 3.45Å; V562-S565 PolarHBondContact O-N 3.22Å; V562-S565 PolarHBondContact O-OG 3.08Å; V562-Q568 PolarHBondContact O-OE1 2.85Å |
| 563 | L | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -29.3 | 177 | -68 | 176.1 | 0 | 0 | 0 | 112.8 | L542 I549 I559 Q560 S565 L569 L584 | L542-L563 HydrophobicContact CD2-CD2 3.69Å; I549-L563 HydrophobicContact CD1-CD1 3.99Å; I559-L563 HydrophobicContact CG2-CD1 4.19Å; I559-L563 HydrophobicContact CG2-CG 4.35Å; I559-L563 WeakPolarHBondContact O-CG 3.47Å; I559-L563 PolarHBondContact O-N 2.81Å; Q560-L563 PolarHBondContact O-N 2.66Å; L563-S565 VanDerWaalsContact C-N 3.34Å; L563-L569 WeakPolarHBondContact O-CD2 3.29Å; L563-L569 WeakPolarHBondContact O-CG 3.28Å; L563-L584 HydrophobicContact CB-CB 4.21Å; L563-L584 HydrophobicContact CB-CD1 4.23Å |
| 564 | R | 94.9 | Very high | 93.9 | Very high | 109 Ų | 109 | 63.1 Ų | 63.1 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | 176.4 | -161.8 | -179.3 | -55.7 | 108.9 | 3.1 | 113.4 | Q560 D561 V562 L569 L584 | Q560-R564 WeakPolarHBondContact O-CB 3.25Å; Q560-R564 PolarHBondContact O-N 3.14Å; D561-R564 PolarHBondContact O-N 3.04Å; D561-R564 IonicContact OD1-CZ 3.79Å; D561-R564 IonicContact OD1-NH1 2.65Å; D561-R564 PolarHBondContact OD1-NH1 3.4Å; V562-R564 PolarHBondContact O-N 3.11Å; R564-L569 HydrophobicContact CG-CD1 4.29Å; R564-L569 WeakPolarHBondContact O-CD1 3.33Å; R564-L584 HydrophobicContact CB-CD1 4.31Å; R564-L584 HydrophobicContact CB-CD2 4.04Å; R564-L584 HydrophobicContact CG-CD2 4.12Å |
| 565 | S | 94.9 | Very high | 94.1 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 25% | 0.252 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -63.9 | 145.1 | -179.8 | 93.6 | 0 | 0 | 0 | 0 | 111.3 | D561 V562 L563 S567 Q568 L569 | D561-S565 PolarHBondContact O-N 3.27Å; V562-S565 VanDerWaalsContact O-CB 3.3Å; V562-S565 WeakPolarHBondContact O-CB 3.45Å; V562-S565 PolarHBondContact O-N 3.22Å; V562-S565 PolarHBondContact O-OG 3.08Å; L563-S565 VanDerWaalsContact C-N 3.34Å; S565-S567 PolarHBondContact O-N 3.23Å; S565-S567 VanDerWaalsContact O-N 3.13Å; S565-S567 PolarHBondContact OG-N 2.84Å; S565-S567 PolarHBondContact OG-OG 3.17Å; S565-Q568 PolarHBondContact O-N 3.28Å; S565-Q568 PolarHBondContact OG-N 3.23Å; S565-Q568 PolarHBondContact OG-OE1 2.92Å; S565-L569 PolarHBondContact O-N 3.06Å |
| 566 | D | 91.8 | Very high | 94.2 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -57 | -29.8 | 176.2 | -81.4 | -41.4 | 0 | 0 | 0 | 112 | Q568 R570 | D566-Q568 PolarHBondContact O-N 2.99Å; D566-R570 WeakPolarHBondContact O-CA 3.38Å; D566-R570 WeakPolarHBondContact O-CB 3.35Å; D566-R570 PolarHBondContact O-N 3.13Å; D566-R570 WeakPolarHBondContact OD1-CD 3.46Å |
| 567 | S | 91.3 | Very high | 94.3 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.4 | -18.1 | 178.1 | 77.6 | 0 | 0 | 0 | 0 | 113.9 | S565 N571 | S565-S567 PolarHBondContact O-N 3.23Å; S565-S567 VanDerWaalsContact O-N 3.13Å; S565-S567 PolarHBondContact OG-N 2.84Å; S565-S567 PolarHBondContact OG-OG 3.17Å; S567-N571 PolarHBondContact O-ND2 3.39Å |
| 568 | Q | 91.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -101.5 | -50.3 | 173.5 | -85.1 | 68.3 | 84.5 | 0 | 0 | 111 | L542 V562 S565 D566 R570 N571 A580 | L542-Q568 HydrophobicContact CD2-CG 4.43Å; V562-Q568 PolarHBondContact O-OE1 2.85Å; S565-Q568 PolarHBondContact O-N 3.28Å; S565-Q568 PolarHBondContact OG-N 3.23Å; S565-Q568 PolarHBondContact OG-OE1 2.92Å; D566-Q568 PolarHBondContact O-N 2.99Å; Q568-R570 PolarHBondContact O-N 2.63Å; Q568-N571 WeakPolarHBondContact O-CB 3.32Å; Q568-N571 PolarHBondContact O-N 3.18Å; Q568-A580 HydrophobicContact CB-CB 3.86Å |
| 569 | L | 92.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 64.5 Ų | 64.5 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70.4 | -27.6 | -176.8 | -66 | -176 | 0 | 0 | 0 | 114.5 | L563 R564 S565 Q577 V581 L584 | L563-L569 WeakPolarHBondContact O-CD2 3.29Å; L563-L569 WeakPolarHBondContact O-CG 3.28Å; R564-L569 HydrophobicContact CG-CD1 4.29Å; R564-L569 WeakPolarHBondContact O-CD1 3.33Å; S565-L569 PolarHBondContact O-N 3.06Å; L569-Q577 PolarHBondContact O-NE2 3.28Å; L569-V581 HydrophobicContact CD2-CG2 3.88Å; L569-L584 HydrophobicContact CD1-CD2 4.13Å; L569-L584 HydrophobicContact CD2-CD2 3.88Å |
| 570 | R | 93 | Very high | 94.6 | Very high | 192 Ų | 192 | 64.5 Ų | 64.5 | 73% | 0.725 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 29.5 | 179.3 | -47 | -175.2 | 75.4 | 169.7 | 3.4 | 111 | D566 Q568 | D566-R570 WeakPolarHBondContact O-CA 3.38Å; D566-R570 WeakPolarHBondContact O-CB 3.35Å; D566-R570 PolarHBondContact O-N 3.13Å; D566-R570 WeakPolarHBondContact OD1-CD 3.46Å; Q568-R570 PolarHBondContact O-N 2.63Å |
| 571 | N | 94.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 65.9 Ų | 65.9 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | trans | -61.7 | 143.9 | 175.1 | -152.3 | -74.1 | 0 | 0 | 0 | 110.4 | S567 Q568 D573 L576 Q577 | S567-N571 PolarHBondContact O-ND2 3.39Å; Q568-N571 WeakPolarHBondContact O-CB 3.32Å; Q568-N571 PolarHBondContact O-N 3.18Å; N571-D573 VanDerWaalsContact C-N 3.28Å; N571-D573 WeakPolarHBondContact OD1-CB 3.37Å; N571-D573 PolarHBondContact OD1-N 3.34Å; N571-D573 VanDerWaalsContact OD1-N 3.09Å; N571-L576 HydrophobicContact CB-CB 4.22Å; N571-Q577 HydrophobicContact CB-CB 4.44Å | ||
| 572 | A | 93.8 | Very high | 94.7 | Very high | 106 Ų | 106 | 65.7 Ų | 65.7 | 88% | 0.876 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -76.7 | -18.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 573 | D | 96.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -88.7 | 129.2 | 175.7 | -174.8 | -89.5 | 0 | 0 | 0 | 111.5 | V535 N571 E575 L576 Q577 | V535-D573 HydrophobicContact CG1-CB 4.48Å; V535-D573 VanDerWaalsContact CG1-CG 3.46Å; V535-D573 WeakPolarHBondContact CG1-OD1 3.3Å; V535-D573 WeakPolarHBondContact CG1-OD2 3.2Å; V535-D573 HydrophobicContact CG2-CB 4.33Å; N571-D573 VanDerWaalsContact C-N 3.28Å; N571-D573 WeakPolarHBondContact OD1-CB 3.37Å; N571-D573 PolarHBondContact OD1-N 3.34Å; N571-D573 VanDerWaalsContact OD1-N 3.09Å; D573-E575 WeakPolarHBondContact OD1-CB 3.41Å; D573-E575 PolarHBondContact OD1-N 3.35Å; D573-E575 VanDerWaalsContact OD1-N 3.08Å; D573-L576 HydrophobicContact CB-CB 4.22Å; D573-L576 HydrophobicContact CB-CD1 4.11Å; D573-L576 HydrophobicContact CB-CG 4.1Å; D573-L576 PolarHBondContact O-N 3.03Å; D573-L576 PolarHBondContact OD1-N 3.02Å; D573-L576 VanDerWaalsContact OD1-N 3.09Å; D573-Q577 WeakPolarHBondContact O-CB 3.32Å; D573-Q577 PolarHBondContact O-N 2.7Å |
| 574 | V | 95.6 | Very high | 94.8 | Very high | 109 Ų | 109 | 67 Ų | 67 | 66% | 0.661 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.9 | -40.6 | -173.3 | -178.3 | 0 | 0 | 0 | 0 | 112.1 | Q577 Q578 | V574-Q577 PolarHBondContact O-N 3.02Å; V574-Q578 WeakPolarHBondContact O-CB 3.4Å; V574-Q578 PolarHBondContact O-N 3.11Å |
| 575 | E | 96.2 | Very high | 94.8 | Very high | 102 Ų | 102 | 69.4 Ų | 69.4 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 178.8 | -86.9 | -72.7 | 139.4 | 0 | 0 | 111.2 | D573 R579 | D573-E575 WeakPolarHBondContact OD1-CB 3.41Å; D573-E575 PolarHBondContact OD1-N 3.35Å; D573-E575 VanDerWaalsContact OD1-N 3.08Å; E575-R579 WeakPolarHBondContact O-CB 3.34Å; E575-R579 WeakPolarHBondContact O-CG 3.46Å; E575-R579 PolarHBondContact O-N 2.84Å; E575-R579 VanDerWaalsContact O-N 3.08Å; E575-R579 IonicContact OE2-CZ 3.41Å; E575-R579 IonicContact OE2-NE 3Å; E575-R579 PolarHBondContact OE2-NE 3.18Å; E575-R579 IonicContact OE2-NH2 2.9Å; E575-R579 PolarHBondContact OE2-NH2 2.95Å |
| 576 | L | 95.8 | Very high | 94.7 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.8 | -62.6 | -175.3 | 0 | 0 | 0 | 112 | V535 R538 A539 L542 N571 D573 A580 | V535-L576 HydrophobicContact CG1-CD1 4.47Å; V535-L576 HydrophobicContact CG1-CG 4.25Å; V535-L576 HydrophobicContact CG2-CD1 4.23Å; R538-L576 HydrophobicContact CB-CD1 4.26Å; R538-L576 HydrophobicContact CB-CD2 3.65Å; A539-L576 HydrophobicContact CB-CD2 3.88Å; A539-L576 VanDerWaalsContact N-CD2 3.31Å; L542-L576 HydrophobicContact CD1-CD2 4.07Å; N571-L576 HydrophobicContact CB-CB 4.22Å; D573-L576 HydrophobicContact CB-CB 4.22Å; D573-L576 HydrophobicContact CB-CD1 4.11Å; D573-L576 HydrophobicContact CB-CG 4.1Å; D573-L576 PolarHBondContact O-N 3.03Å; D573-L576 PolarHBondContact OD1-N 3.02Å; D573-L576 VanDerWaalsContact OD1-N 3.09Å; L576-A580 VanDerWaalsContact O-CB 3.22Å; L576-A580 WeakPolarHBondContact O-CB 3.33Å; L576-A580 PolarHBondContact O-N 3.07Å |
| 577 | Q | 96.5 | Very high | 94.8 | Very high | 80 Ų | 80 | 64.4 Ų | 64.4 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 177.6 | -177.6 | 173.7 | 48.6 | 0 | 0 | 111.4 | L569 N571 D573 V574 A580 V581 | L569-Q577 PolarHBondContact O-NE2 3.28Å; N571-Q577 HydrophobicContact CB-CB 4.44Å; D573-Q577 WeakPolarHBondContact O-CB 3.32Å; D573-Q577 PolarHBondContact O-N 2.7Å; V574-Q577 PolarHBondContact O-N 3.02Å; Q577-A580 PolarHBondContact O-N 3.44Å; Q577-V581 HydrophobicContact CG-CG2 4.32Å; Q577-V581 WeakPolarHBondContact O-CB 3.11Å; Q577-V581 VanDerWaalsContact O-CG2 3.3Å; Q577-V581 WeakPolarHBondContact O-CG2 3.29Å; Q577-V581 PolarHBondContact O-N 3.33Å |
| 578 | Q | 96.6 | Very high | 94.7 | Very high | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -52.6 | -178.5 | -171.4 | 67 | 15.9 | 0 | 0 | 110.6 | V574 A580 V581 E582 | V574-Q578 WeakPolarHBondContact O-CB 3.4Å; V574-Q578 PolarHBondContact O-N 3.11Å; Q578-A580 PolarHBondContact O-N 2.9Å; Q578-V581 PolarHBondContact O-N 3.26Å; Q578-E582 HydrophobicContact CG-CG 4.39Å; Q578-E582 PolarHBondContact NE2-OE1 3.22Å; Q578-E582 WeakPolarHBondContact O-CB 3.47Å; Q578-E582 WeakPolarHBondContact O-CG 3.48Å; Q578-E582 PolarHBondContact O-N 3.14Å |
| 579 | R | 97 | Very high | 94.6 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 178 | -70.6 | -178 | -164.7 | -135.4 | -3.1 | 112.3 | A539 L542 S543 E575 V581 Y583 | A539-R579 WeakPolarHBondContact O-CD 3.44Å; A539-R579 PolarHBondContact O-NH1 3.32Å; A539-R579 VanDerWaalsContact O-NH1 3.17Å; L542-R579 HydrophobicContact CB-CB 4.31Å; L542-R579 HydrophobicContact CD1-CB 3.95Å; S543-R579 PolarHBondContact OG-NH1 3.39Å; E575-R579 WeakPolarHBondContact O-CB 3.34Å; E575-R579 WeakPolarHBondContact O-CG 3.46Å; E575-R579 PolarHBondContact O-N 2.84Å; E575-R579 VanDerWaalsContact O-N 3.08Å; E575-R579 IonicContact OE2-CZ 3.41Å; E575-R579 IonicContact OE2-NE 3Å; E575-R579 PolarHBondContact OE2-NE 3.18Å; E575-R579 IonicContact OE2-NH2 2.9Å; E575-R579 PolarHBondContact OE2-NH2 2.95Å; R579-V581 PolarHBondContact O-N 2.96Å; R579-Y583 HydrophobicContact CB-CD2 4.11Å; R579-Y583 HydrophobicContact CB-CE2 3.7Å; R579-Y583 HydrophobicContact CG-CE2 4.07Å; R579-Y583 WeakPolarHBondContact O-CB 3.21Å; R579-Y583 WeakPolarHBondContact O-CD2 3.42Å; R579-Y583 PolarHBondContact O-N 3.31Å |
| 580 | A | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L542 Q568 L576 Q577 Q578 L584 | L542-A580 HydrophobicContact CD1-CB 4.5Å; Q568-A580 HydrophobicContact CB-CB 3.86Å; L576-A580 VanDerWaalsContact O-CB 3.22Å; L576-A580 WeakPolarHBondContact O-CB 3.33Å; L576-A580 PolarHBondContact O-N 3.07Å; Q577-A580 PolarHBondContact O-N 3.44Å; Q578-A580 PolarHBondContact O-N 2.9Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 PolarHBondContact O-N 2.76Å |
| 581 | V | 95.9 | Very high | 94 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -49 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.1 | L569 Q577 Q578 R579 R585 | L569-V581 HydrophobicContact CD2-CG2 3.88Å; Q577-V581 HydrophobicContact CG-CG2 4.32Å; Q577-V581 WeakPolarHBondContact O-CB 3.11Å; Q577-V581 VanDerWaalsContact O-CG2 3.3Å; Q577-V581 WeakPolarHBondContact O-CG2 3.29Å; Q577-V581 PolarHBondContact O-N 3.33Å; Q578-V581 PolarHBondContact O-N 3.26Å; R579-V581 PolarHBondContact O-N 2.96Å; V581-R585 HydrophobicContact CG1-CG 4.39Å; V581-R585 WeakPolarHBondContact O-CB 3.38Å; V581-R585 WeakPolarHBondContact O-CG 3.45Å; V581-R585 PolarHBondContact O-N 3.34Å |
| 582 | E | 95.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.2 | -51.2 | 179.3 | -75.1 | -179.9 | 169 | 0 | 0 | 111.6 | Q578 L584 R585 L586 | Q578-E582 HydrophobicContact CG-CG 4.39Å; Q578-E582 PolarHBondContact NE2-OE1 3.22Å; Q578-E582 WeakPolarHBondContact O-CB 3.47Å; Q578-E582 WeakPolarHBondContact O-CG 3.48Å; Q578-E582 PolarHBondContact O-N 3.14Å; E582-L584 PolarHBondContact O-N 3.4Å; E582-R585 PolarHBondContact O-N 3.5Å; E582-L586 VanDerWaalsContact O-CB 3.3Å; E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 PolarHBondContact O-N 2.91Å |
| 583 | Y | 96.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 67 Ų | 67 | 15% | 0.149 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | -177.7 | -62 | -16 | 0 | 0 | 0 | 112.1 | L542 S543 I546 R579 S587 | L542-Y583 VanDerWaalsContact C-CE2 3.47Å; L542-Y583 HydrophobicContact CB-CD2 4.12Å; L542-Y583 HydrophobicContact CB-CE2 4Å; L542-Y583 VanDerWaalsContact O-CD2 3.29Å; L542-Y583 WeakPolarHBondContact O-CD2 3.45Å; L542-Y583 WeakPolarHBondContact O-CE2 3.44Å; S543-Y583 PolarHBondContact OG-OH 2.82Å; I546-Y583 HydrophobicContact CB-CD1 4.17Å; I546-Y583 HydrophobicContact CB-CD2 3.93Å; I546-Y583 HydrophobicContact CB-CG 3.7Å; I546-Y583 WeakPolarHBondContact CD1-O 3.3Å; I546-Y583 HydrophobicContact CG1-CD1 4.09Å; I546-Y583 HydrophobicContact CG1-CG 3.93Å; I546-Y583 HydrophobicContact CG2-CD1 3.85Å; I546-Y583 HydrophobicContact CG2-CD2 3.71Å; I546-Y583 HydrophobicContact CG2-CE1 4.01Å; I546-Y583 HydrophobicContact CG2-CE2 3.88Å; I546-Y583 HydrophobicContact CG2-CG 3.71Å; R579-Y583 HydrophobicContact CB-CD2 4.11Å; R579-Y583 HydrophobicContact CB-CE2 3.7Å; R579-Y583 HydrophobicContact CG-CE2 4.07Å; R579-Y583 WeakPolarHBondContact O-CB 3.21Å; R579-Y583 WeakPolarHBondContact O-CD2 3.42Å; R579-Y583 PolarHBondContact O-N 3.31Å; Y583-S587 VanDerWaalsContact O-CB 3.3Å; Y583-S587 WeakPolarHBondContact O-CB 3.37Å; Y583-S587 PolarHBondContact O-N 3.36Å; Y583-S587 PolarHBondContact O-OG 2.86Å |
| 584 | L | 95.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 171.9 | -179.2 | 62.9 | 0 | 0 | 0 | 110.8 | Q560 L563 R564 L569 A580 E582 S587 C588 | Q560-L584 HydrophobicContact CB-CD1 4.45Å; Q560-L584 HydrophobicContact CG-CD1 4.47Å; L563-L584 HydrophobicContact CB-CB 4.21Å; L563-L584 HydrophobicContact CB-CD1 4.23Å; R564-L584 HydrophobicContact CB-CD1 4.31Å; R564-L584 HydrophobicContact CB-CD2 4.04Å; R564-L584 HydrophobicContact CG-CD2 4.12Å; L569-L584 HydrophobicContact CD1-CD2 4.13Å; L569-L584 HydrophobicContact CD2-CD2 3.88Å; A580-L584 WeakPolarHBondContact O-CB 3.24Å; A580-L584 PolarHBondContact O-N 2.76Å; E582-L584 PolarHBondContact O-N 3.4Å; L584-S587 PolarHBondContact O-N 2.88Å; L584-S587 PolarHBondContact O-OG 3.35Å; L584-C588 WeakPolarHBondContact O-CB 3.37Å; L584-C588 PolarHBondContact O-N 3.48Å; L584-C588 VanDerWaalsContact O-N 3.12Å; L584-C588 PolarHBondContact O-SG 2.87Å; L584-C588 VanDerWaalsContact O-SG 3.42Å |
| 585 | R | 93.9 | Very high | 92.9 | Very high | 158 Ų | 158 | 64.4 Ų | 64.4 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | -179 | -70.2 | -68.7 | 177.2 | -170.5 | -0.4 | 112.2 | V581 E582 S587 C588 I589 | V581-R585 HydrophobicContact CG1-CG 4.39Å; V581-R585 WeakPolarHBondContact O-CB 3.38Å; V581-R585 WeakPolarHBondContact O-CG 3.45Å; V581-R585 PolarHBondContact O-N 3.34Å; E582-R585 PolarHBondContact O-N 3.5Å; R585-S587 PolarHBondContact O-N 3.27Å; R585-C588 PolarHBondContact O-N 3.49Å; R585-I589 HydrophobicContact CB-CD1 4.35Å; R585-I589 WeakPolarHBondContact O-CB 3.44Å; R585-I589 WeakPolarHBondContact O-CG1 3.34Å; R585-I589 PolarHBondContact O-N 2.93Å |
| 586 | L | 93.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 61.4 Ų | 61.4 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 174 | -170.1 | 72.1 | 0 | 0 | 0 | 110.4 | I546 E582 C588 A590 V598 L599 | I546-L586 HydrophobicContact CG1-CD2 4.36Å; E582-L586 VanDerWaalsContact O-CB 3.3Å; E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 PolarHBondContact O-N 2.91Å; L586-C588 PolarHBondContact O-N 3.45Å; L586-A590 HydrophobicContact CD1-CB 3.97Å; L586-A590 HydrophobicContact CG-CB 4.43Å; L586-A590 VanDerWaalsContact O-CB 3.25Å; L586-A590 WeakPolarHBondContact O-CB 3.49Å; L586-A590 PolarHBondContact O-N 2.87Å; L586-V598 HydrophobicContact CD2-CG1 4.05Å; L586-L599 HydrophobicContact CD2-CD1 4.33Å |
| 587 | S | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -23.2 | -179.1 | 78 | 0 | 0 | 0 | 0 | 115.1 | K556 Q560 Y583 L584 R585 | K556-S587 WeakPolarHBondContact CE-O 3.4Å; K556-S587 PolarHBondContact NZ-O 3.06Å; Q560-S587 PolarHBondContact NE2-O 2.72Å; Q560-S587 VanDerWaalsContact NE2-O 3.13Å; Q560-S587 PolarHBondContact NE2-OG 3.39Å; Y583-S587 VanDerWaalsContact O-CB 3.3Å; Y583-S587 WeakPolarHBondContact O-CB 3.37Å; Y583-S587 PolarHBondContact O-N 3.36Å; Y583-S587 PolarHBondContact O-OG 2.86Å; L584-S587 PolarHBondContact O-N 2.88Å; L584-S587 PolarHBondContact O-OG 3.35Å; R585-S587 PolarHBondContact O-N 3.27Å |
| 588 | C | 90.3 | Very high | 92.2 | Very high | 69 Ų | 69 | 66.5 Ų | 66.5 | 47% | 0.466 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -98.6 | -29.8 | -178.2 | -72.5 | 0 | 0 | 0 | 0 | 114.2 | L584 R585 L586 | L584-C588 WeakPolarHBondContact O-CB 3.37Å; L584-C588 PolarHBondContact O-N 3.48Å; L584-C588 VanDerWaalsContact O-N 3.12Å; L584-C588 PolarHBondContact O-SG 2.87Å; L584-C588 VanDerWaalsContact O-SG 3.42Å; R585-C588 PolarHBondContact O-N 3.49Å; L586-C588 PolarHBondContact O-N 3.45Å |
| 589 | I | 89.3 | Confident | 92 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 64% | 0.641 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -110.7 | -34.6 | -169.1 | -57.9 | 173.5 | 0 | 0 | 0 | 112.1 | R585 | R585-I589 HydrophobicContact CB-CD1 4.35Å; R585-I589 WeakPolarHBondContact O-CB 3.44Å; R585-I589 WeakPolarHBondContact O-CG1 3.34Å; R585-I589 PolarHBondContact O-N 2.93Å |
| 590 | A | 85.6 | Confident | 91.6 | Very high | 28 Ų | 28 | 66.6 Ų | 66.6 | 23% | 0.231 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -71.1 | 147.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L586 I594 L595 | L586-A590 HydrophobicContact CD1-CB 3.97Å; L586-A590 HydrophobicContact CG-CB 4.43Å; L586-A590 VanDerWaalsContact O-CB 3.25Å; L586-A590 WeakPolarHBondContact O-CB 3.49Å; L586-A590 PolarHBondContact O-N 2.87Å; A590-I594 HydrophobicContact CB-CB 4.4Å; A590-I594 HydrophobicContact CB-CG2 4.19Å; A590-L595 HydrophobicContact CB-CB 4.38Å |
| 591 | S | 87.8 | Confident | 91.1 | Very high | 55 Ų | 55 | 73.1 Ų | 73.1 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | trans | -65.1 | 159.3 | 165.1 | 60.6 | 0 | 0 | 0 | 0 | 110.3 | D593 I594 L595 | S591-D593 PolarHBondContact O-N 3.24Å; S591-I594 PolarHBondContact O-N 3.44Å; S591-I594 WeakPolarHBondContact OG-CD1 3.46Å; S591-I594 WeakPolarHBondContact OG-CG1 3.32Å; S591-I594 PolarHBondContact OG-N 3.42Å; S591-L595 WeakPolarHBondContact O-CB 3.34Å; S591-L595 PolarHBondContact O-N 3.3Å | ||
| 592 | T | 87.3 | Confident | 90.6 | Very high | 110 Ų | 110 | 74.6 Ų | 74.6 | 68% | 0.675 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -50.7 | -43.3 | 174.1 | 38.4 | 0 | 0 | 0 | 0 | 111.9 | L595 A596 | T592-L595 PolarHBondContact O-N 3.49Å; T592-A596 WeakPolarHBondContact O-CB 3.43Å; T592-A596 PolarHBondContact O-N 3.18Å |
| 593 | D | 88.3 | Confident | 90.3 | Very high | 114 Ų | 114 | 74.6 Ų | 74.6 | 61% | 0.61 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.8 | -43.8 | -172.2 | -46.5 | -0.9 | 0 | 0 | 0 | 110.4 | S591 A596 T597 | S591-D593 PolarHBondContact O-N 3.24Å; D593-A596 PolarHBondContact O-N 3.03Å; D593-T597 PolarHBondContact O-N 3.48Å; D593-T597 PolarHBondContact O-OG1 3.49Å; D593-T597 VanDerWaalsContact O-OG1 3.04Å |
| 594 | I | 90.5 | Very high | 90 | Very high | 95 Ų | 95 | 77.4 Ų | 77.4 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 175 | -67 | 170.3 | 0 | 0 | 0 | 110.6 | A590 S591 A596 T597 V598 | A590-I594 HydrophobicContact CB-CB 4.4Å; A590-I594 HydrophobicContact CB-CG2 4.19Å; S591-I594 PolarHBondContact O-N 3.44Å; S591-I594 WeakPolarHBondContact OG-CD1 3.46Å; S591-I594 WeakPolarHBondContact OG-CG1 3.32Å; S591-I594 PolarHBondContact OG-N 3.42Å; I594-A596 VanDerWaalsContact C-N 3.32Å; I594-A596 PolarHBondContact O-N 3.17Å; I594-T597 PolarHBondContact O-N 3.48Å; I594-V598 HydrophobicContact CG2-CG2 4.36Å; I594-V598 WeakPolarHBondContact O-CB 3.49Å; I594-V598 VanDerWaalsContact O-CG2 3.28Å; I594-V598 WeakPolarHBondContact O-CG2 3.42Å; I594-V598 PolarHBondContact O-N 2.93Å |
| 595 | L | 89.9 | Confident | 89.7 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 5% | 0.047 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 178.3 | -170.9 | 148.6 | 0 | 0 | 0 | 111.2 | I549 N550 A590 S591 T592 L599 | I549-L595 HydrophobicContact CG2-CD1 4.42Å; N550-L595 HydrophobicContact CB-CD2 3.6Å; N550-L595 WeakPolarHBondContact OD1-CD2 3.39Å; A590-L595 HydrophobicContact CB-CB 4.38Å; S591-L595 WeakPolarHBondContact O-CB 3.34Å; S591-L595 PolarHBondContact O-N 3.3Å; T592-L595 PolarHBondContact O-N 3.49Å; L595-L599 HydrophobicContact CD2-CD1 3.77Å; L595-L599 HydrophobicContact CG-CD1 3.96Å; L595-L599 WeakPolarHBondContact O-CB 3.33Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.11Å; L595-L599 VanDerWaalsContact O-N 3.17Å |
| 596 | A | 89.8 | Confident | 89.5 | Confident | 40 Ų | 40 | 76.6 Ų | 76.6 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N550 T592 D593 I594 L599 E600 | N550-A596 WeakPolarHBondContact OD1-CA 3.42Å; T592-A596 WeakPolarHBondContact O-CB 3.43Å; T592-A596 PolarHBondContact O-N 3.18Å; D593-A596 PolarHBondContact O-N 3.03Å; I594-A596 VanDerWaalsContact C-N 3.32Å; I594-A596 PolarHBondContact O-N 3.17Å; A596-L599 CarbonylContact O-C 3.33Å; A596-L599 PolarHBondContact O-N 3.23Å; A596-E600 PolarHBondContact O-N 3.39Å |
| 597 | T | 91.2 | Very high | 88.8 | Confident | 100 Ų | 100 | 83.8 Ų | 83.8 | 61% | 0.613 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66 | -36.5 | 176.1 | -54.4 | 0 | 0 | 0 | 0 | 112.8 | D593 I594 L599 | D593-T597 PolarHBondContact O-N 3.48Å; D593-T597 PolarHBondContact O-OG1 3.49Å; D593-T597 VanDerWaalsContact O-OG1 3.04Å; I594-T597 PolarHBondContact O-N 3.48Å; T597-L599 VanDerWaalsContact C-N 3.29Å; T597-L599 PolarHBondContact O-N 3.16Å |
| 598 | V | 92.2 | Very high | 88 | Confident | 90 Ų | 90 | 92.2 Ų | 92.2 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.4 | -24.9 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | L586 I594 | L586-V598 HydrophobicContact CD2-CG1 4.05Å; I594-V598 HydrophobicContact CG2-CG2 4.36Å; I594-V598 WeakPolarHBondContact O-CB 3.49Å; I594-V598 VanDerWaalsContact O-CG2 3.28Å; I594-V598 WeakPolarHBondContact O-CG2 3.42Å; I594-V598 PolarHBondContact O-N 2.93Å |
| 599 | L | 92.8 | Very high | 87.1 | Confident | 24 Ų | 24 | 98.1 Ų | 98.1 | 13% | 0.126 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 32.4 | -174.7 | -57.8 | 166.8 | 0 | 0 | 0 | 111.5 | I546 K547 N550 L586 L595 A596 T597 | I546-L599 HydrophobicContact CG1-CD1 3.83Å; I546-L599 HydrophobicContact CG2-CD2 4.15Å; K547-L599 HydrophobicContact CG-CD2 4.29Å; N550-L599 HydrophobicContact CB-CB 4.11Å; N550-L599 HydrophobicContact CB-CD1 3.98Å; N550-L599 PolarHBondContact ND2-O 3.27Å; N550-L599 VanDerWaalsContact ND2-O 3.09Å; L586-L599 HydrophobicContact CD2-CD1 4.33Å; L595-L599 HydrophobicContact CD2-CD1 3.77Å; L595-L599 HydrophobicContact CG-CD1 3.96Å; L595-L599 WeakPolarHBondContact O-CB 3.33Å; L595-L599 WeakPolarHBondContact O-CG 3.45Å; L595-L599 PolarHBondContact O-N 3.11Å; L595-L599 VanDerWaalsContact O-N 3.17Å; A596-L599 CarbonylContact O-C 3.33Å; A596-L599 PolarHBondContact O-N 3.23Å; T597-L599 VanDerWaalsContact C-N 3.29Å; T597-L599 PolarHBondContact O-N 3.16Å |
| 600 | E | 89.9 | Confident | 86.2 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 163.6 | 173.6 | -166 | 165.2 | -167.4 | 0 | 0 | 110.5 | A596 M602 | A596-E600 PolarHBondContact O-N 3.39Å; E600-M602 PolarHBondContact O-N 3.23Å |
| 601 | E | 83.8 | Confident | 85.8 | Confident | 137 Ų | 137 | 95 Ų | 95 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 132.9 | 179.4 | -68.1 | -177.7 | 175.9 | 0 | 0 | 110.7 | ||
| 602 | M | 86.4 | Confident | 85.4 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 42% | 0.424 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 129.8 | -175.5 | -70.8 | -63.8 | -58 | 0 | 0 | 110.5 | I470 E506 E600 | I470-M602 HydrophobicContact CD1-CB 4.45Å; E506-M602 VanDerWaalsContact OE1-CG 3.27Å; E506-M602 WeakPolarHBondContact OE1-CG 3.44Å; E600-M602 PolarHBondContact O-N 3.23Å |
| 603 | P | 89.8 | Confident | 84.9 | Confident | 95 Ų | 95 | 90.8 Ų | 90.8 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -62 | 148.9 | 178.4 | 25.7 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 604 | P | 90 | Very high | 84.4 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 142.4 | -177.1 | 24.8 | -34.4 | 0 | 0 | 0 | 111.6 | N471 | N471-P604 WeakPolarHBondContact OD1-CA 3.29Š|
| 605 | F | 89.6 | Confident | 83.7 | Confident | 71 Ų | 71 | 86.6 Ų | 86.6 | 31% | 0.311 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 139.4 | 179 | -78 | -84.7 | 0 | 0 | 0 | 110.9 | Q467 I470 N471 | Q467-F605 HydrophobicContact CB-CB 4.49Å; Q467-F605 HydrophobicContact CB-CD2 4.09Å; Q467-F605 HydrophobicContact CB-CG 4.37Å; Q467-F605 HydrophobicContact CG-CB 4.26Å; Q467-F605 HydrophobicContact CG-CD1 4.19Å; Q467-F605 HydrophobicContact CG-CD2 3.72Å; Q467-F605 HydrophobicContact CG-CE1 4.47Å; Q467-F605 HydrophobicContact CG-CE2 4Å; Q467-F605 HydrophobicContact CG-CG 3.8Å; Q467-F605 HydrophobicContact CG-CZ 4.38Å; I470-F605 HydrophobicContact CD1-CD2 4.29Å; I470-F605 HydrophobicContact CD1-CE2 3.69Å; N471-F605 PolarHBondContact ND2-O 3.03Å; N471-F605 PolarHBondContact OD1-N 3.29Å |
| 606 | P | 88.5 | Confident | 83.1 | Confident | 84 Ų | 84 | 86.9 Ų | 86.9 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 146 | 173.7 | 28.5 | -35.2 | 0 | 0 | 0 | 110.5 | R608 | P606-R608 PolarHBondContact O-N 3.21Š|
| 607 | E | 78.9 | Confident | 82.5 | Confident | 194 Ų | 194 | 92.8 Ų | 92.8 | 91% | 0.907 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 129.3 | 173.5 | -64 | -168.5 | 164.7 | 0 | 0 | 110.4 | ||
| 608 | R | 77 | Confident | 81.8 | Confident | 177 Ų | 177 | 96.6 Ų | 96.6 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | trans | -135.4 | 149.8 | 178.5 | -68.5 | -177.7 | 179.7 | -176.5 | 0.9 | 108.8 | P606 | P606-R608 PolarHBondContact O-N 3.21Š| ||
| 609 | E | 70.1 | Confident | 80.8 | Confident | 193 Ų | 193 | 96.8 Ų | 96.8 | 90% | 0.902 | 49% | 0.485 | S | S | * | . | trans | -55.8 | 138.3 | 170 | -62.5 | -174.2 | 171.4 | 0 | 0 | 110.8 | S611 | E609-S611 PolarHBondContact O-N 3.39Š| ||
| 610 | S | 71.4 | Confident | 79.3 | Confident | 31 Ų | 31 | 101 Ų | 101 | 22% | 0.217 | 50% | 0.502 | C | S | . | . | trans | -65.3 | 102.8 | -175.6 | -50.7 | 0 | 0 | 0 | 0 | 111.1 | E433 I612 L613 | E433-S610 PolarHBondContact OE1-OG 3.04Å; S610-I612 PolarHBondContact O-N 3.43Å; S610-I612 VanDerWaalsContact O-N 3.08Å; S610-L613 WeakPolarHBondContact O-CB 3.45Å; S610-L613 PolarHBondContact O-N 3.07Å | ||
| 611 | S | 77.7 | Confident | 76.8 | Confident | 58 Ų | 58 | 96.6 Ų | 96.6 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -50.4 | -34.2 | 176.5 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | E609 L613 A614 K615 | E609-S611 PolarHBondContact O-N 3.39Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 3.26Å; S611-A614 WeakPolarHBondContact O-CB 3.34Å; S611-A614 PolarHBondContact O-N 2.81Å; S611-K615 PolarHBondContact O-N 3.41Å |
| 612 | I | 78.1 | Confident | 74.3 | Confident | 0 Ų | 0 | 95.8 Ų | 95.8 | 0% | 0 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -51 | -41.5 | 174 | -52.3 | -177.5 | 0 | 0 | 0 | 112 | L426 I430 E460 V461 R464 S610 L616 | L426-I612 HydrophobicContact CD1-CG2 3.42Å; L426-I612 VanDerWaalsContact CD1-CG2 3.42Å; L426-I612 HydrophobicContact CG-CG2 4.34Å; I430-I612 HydrophobicContact CD1-CG2 4.12Å; I430-I612 HydrophobicContact CG1-CB 4.48Å; I430-I612 HydrophobicContact CG1-CG2 3.55Å; E460-I612 HydrophobicContact CB-CG1 4.03Å; V461-I612 HydrophobicContact CG2-CD1 4.26Å; V461-I612 HydrophobicContact CG2-CG2 4.48Å; R464-I612 HydrophobicContact CB-CD1 3.88Å; R464-I612 HydrophobicContact CG-CD1 3.99Å; S610-I612 PolarHBondContact O-N 3.43Å; S610-I612 VanDerWaalsContact O-N 3.08Å; I612-L616 PolarHBondContact O-N 2.86Å; I612-L616 VanDerWaalsContact O-N 3.16Å |
| 613 | L | 76.3 | Confident | 71.5 | Confident | 76 Ų | 76 | 96 Ų | 96 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.5 | -40.6 | 176.9 | -73.2 | 171.5 | 0 | 0 | 0 | 112.1 | I430 S610 S611 K615 L616 K617 | I430-L613 HydrophobicContact CD1-CD2 3.89Å; I430-L613 HydrophobicContact CG1-CD2 4.05Å; I430-L613 HydrophobicContact CG2-CD2 3.75Å; S610-L613 WeakPolarHBondContact O-CB 3.45Å; S610-L613 PolarHBondContact O-N 3.07Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 3.26Å; L613-K615 VanDerWaalsContact C-N 3.26Å; L613-K615 PolarHBondContact O-N 3.15Å; L613-L616 PolarHBondContact O-N 2.72Å; L613-K617 PolarHBondContact O-N 3.44Å |
| 614 | A | 77.8 | Confident | 68.5 | Low | 64 Ų | 64 | 101.1 Ų | 101.1 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S611 K617 K618 | S611-A614 WeakPolarHBondContact O-CB 3.34Å; S611-A614 PolarHBondContact O-N 2.81Å; A614-K617 PolarHBondContact O-N 3.42Å; A614-K618 WeakPolarHBondContact O-CB 3.46Å; A614-K618 PolarHBondContact O-N 3.46Å |
| 615 | K | 77.3 | Confident | 65.4 | Low | 56 Ų | 56 | 103.4 Ų | 103.4 | 24% | 0.243 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -67 | -41.7 | 173.7 | -173.3 | 159.1 | -169.3 | 164.4 | 0 | 113.6 | L426 S458 E460 S611 L613 K617 K618 K619 | L426-K615 HydrophobicContact CD2-CG 4.35Å; S458-K615 PolarHBondContact OG-NZ 3.14Å; E460-K615 VanDerWaalsContact CD-CD 3.46Å; E460-K615 WeakPolarHBondContact OE1-CD 3.43Å; E460-K615 IonicContact OE1-NZ 2.59Å; E460-K615 PolarHBondContact OE1-NZ 3.21Å; E460-K615 VanDerWaalsContact OE2-CB 3.26Å; E460-K615 WeakPolarHBondContact OE2-CB 3.34Å; E460-K615 WeakPolarHBondContact OE2-CD 3.24Å; E460-K615 IonicContact OE2-NZ 2.78Å; S611-K615 PolarHBondContact O-N 3.41Å; L613-K615 VanDerWaalsContact C-N 3.26Å; L613-K615 PolarHBondContact O-N 3.15Å; K615-K617 VanDerWaalsContact C-N 3.33Å; K615-K617 PolarHBondContact O-N 3.3Å; K615-K618 PolarHBondContact O-N 2.98Å; K615-K619 WeakPolarHBondContact O-CB 3.41Å; K615-K619 PolarHBondContact O-N 3.06Å |
| 616 | L | 76 | Confident | 62.3 | Low | 15 Ų | 15 | 105.6 Ų | 105.6 | 8% | 0.079 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -60.6 | -44.8 | 175 | -176.4 | 67.5 | 0 | 0 | 0 | 110.7 | L426 I430 I612 L613 K619 K620 | L426-L616 HydrophobicContact CD2-CB 3.73Å; L426-L616 HydrophobicContact CD2-CD1 3.82Å; L426-L616 HydrophobicContact CD2-CG 4.38Å; L426-L616 HydrophobicContact CG-CB 4.32Å; L426-L616 HydrophobicContact CG-CD1 4.39Å; I430-L616 HydrophobicContact CD1-CB 4.16Å; I430-L616 HydrophobicContact CD1-CD2 3.66Å; I430-L616 HydrophobicContact CD1-CG 4.45Å; I612-L616 PolarHBondContact O-N 2.86Å; I612-L616 VanDerWaalsContact O-N 3.16Å; L613-L616 PolarHBondContact O-N 2.72Å; L616-K619 PolarHBondContact O-N 2.82Å; L616-K620 PolarHBondContact O-N 3.36Å |
| 617 | K | 77.7 | Confident | 59.3 | Low | 164 Ų | 164 | 109 Ų | 109 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.8 | -47.6 | 174.6 | -71.1 | -171.9 | 177.9 | -169.3 | 0 | 111.7 | L613 A614 K615 K619 | L613-K617 PolarHBondContact O-N 3.44Å; A614-K617 PolarHBondContact O-N 3.42Å; K615-K617 VanDerWaalsContact C-N 3.33Å; K615-K617 PolarHBondContact O-N 3.3Å; K617-K619 VanDerWaalsContact C-N 3.3Å; K617-K619 PolarHBondContact O-N 3.08Å |
| 618 | K | 77.1 | Confident | 57 | Low | 181 Ų | 181 | 105.7 Ų | 105.7 | 79% | 0.787 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.5 | -38.8 | 176.7 | -173.7 | 176.8 | 179.9 | 179 | 0 | 112.3 | A614 K615 G621 | A614-K618 WeakPolarHBondContact O-CB 3.46Å; A614-K618 PolarHBondContact O-N 3.46Å; K615-K618 PolarHBondContact O-N 2.98Å; K618-G621 PolarHBondContact O-N 3.26Å |
| 619 | K | 70.6 | Confident | 54.8 | Low | 94 Ų | 94 | 103.3 Ų | 103.3 | 41% | 0.409 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.9 | -34.9 | -176.1 | -167.8 | 174.8 | -174.8 | 176.9 | 0 | 114.1 | E422 K615 L616 K617 G621 | E422-K619 IonicContact OE1-NZ 3.28Å; E422-K619 PolarHBondContact OE1-NZ 3.45Å; E422-K619 IonicContact OE2-NZ 3.25Å; E422-K619 PolarHBondContact OE2-NZ 3.44Å; K615-K619 WeakPolarHBondContact O-CB 3.41Å; K615-K619 PolarHBondContact O-N 3.06Å; L616-K619 PolarHBondContact O-N 2.82Å; K617-K619 VanDerWaalsContact C-N 3.3Å; K617-K619 PolarHBondContact O-N 3.08Å; K619-G621 PolarHBondContact O-N 2.96Å |
| 620 | K | 61.5 | Low | 52.8 | Low | 111 Ų | 111 | 102 Ų | 102 | 48% | 0.483 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.9 | -14.3 | 171.8 | -75.6 | -164.4 | 168.8 | -166 | 0 | 112.8 | D391 L616 | D391-K620 IonicContact OD1-NZ 3.76Å; D391-K620 PolarHBondContact OD1-NZ 3.09Å; L616-K620 PolarHBondContact O-N 3.36Å |
| 621 | G | 38.1 | Very low | 50.6 | Low | 44 Ų | 44 | 106.3 Ų | 106.3 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | trans | 68.9 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K618 K619 S623 | K618-G621 PolarHBondContact O-N 3.26Å; K619-G621 PolarHBondContact O-N 2.96Å; G621-S623 PolarHBondContact O-N 3.39Å | ||
| 622 | S | 30.4 | Very low | 48.4 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | trans | -75.9 | 60.5 | 174.8 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | K624 | S622-K624 PolarHBondContact O-N 2.99Å; S622-K624 VanDerWaalsContact O-N 3.16Å | ||
| 623 | S | 27.8 | Very low | 46 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | trans | -63.7 | 112.2 | 164 | -172.9 | 0 | 0 | 0 | 0 | 107.5 | G621 L625 | G621-S623 PolarHBondContact O-N 3.39Å; S623-L625 PolarHBondContact O-N 3.02Å | ||
| 624 | K | 26.3 | Very low | 43.7 | Very low | 203 Ų | 203 | 126 Ų | 126 | 88% | 0.883 | 66% | 0.66 | S | S | * | * | trans | -71.7 | 78.9 | -178.9 | -74.4 | -174 | 173.8 | -175.4 | 0 | 111 | S622 | S622-K624 PolarHBondContact O-N 2.99Å; S622-K624 VanDerWaalsContact O-N 3.16Å | ||
| 625 | L | 25.1 | Very low | 41.3 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 75% | 0.754 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 128.7 | 147.8 | -70.3 | 161.5 | 0 | 0 | 0 | 105.8 | S623 D627 | S623-L625 PolarHBondContact O-N 3.02Å; L625-D627 PolarHBondContact O-N 3.01Å |
| 626 | P | 25.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.7 | 172.8 | 27.4 | -31.4 | 0 | 0 | 0 | 108.8 | M628 | P626-M628 PolarHBondContact O-N 2.85Š|
| 627 | D | 24.4 | Very low | 36.3 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 128.1 | 169.4 | -99.8 | -37.2 | 0 | 0 | 0 | 108.7 | L625 | L625-D627 PolarHBondContact O-N 3.01Š|
| 628 | M | 29.8 | Very low | 33.8 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 61% | 0.611 | 75% | 0.746 | S | S | * | * | trans | -100.7 | 17.9 | -169.3 | -118.7 | -171.9 | 76.6 | 0 | 0 | 113.7 | P626 | P626-M628 PolarHBondContact O-N 2.85Š| ||
| 629 | D | 31.4 | Very low | 31.3 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | -111.9 | -17 | -162 | -144.6 | 16 | 0 | 0 | 0 | 115.6 | ||||
| 630 | D | 28.1 | Very low | 29.2 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -83.8 | -10.2 | -175.5 | -98.8 | -32.5 | 0 | 0 | 0 | 115.3 | ||
| 631 | S | 26.2 | Very low | 27.4 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -91.8 | 5.4 | -172.2 | -61.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 632 | R | 30.2 | Very low | 26.7 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -100.1 | 2.2 | -171.7 | -76.4 | -175.7 | 178.7 | 171.6 | -0.1 | 116.4 | ||
| 633 | K | 28.5 | Very low | 26.4 | Very low | 194 Ų | 194 | 144.7 Ų | 144.7 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -122.3 | 77.2 | 176.4 | -76.7 | -178.6 | 177 | 172.5 | 0 | 112.9 | ||
| 634 | N | 27.1 | Very low | 26.2 | Very low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -178.3 | 65.4 | 144.1 | -96.4 | -12.8 | 0 | 0 | 0 | 112.6 | ||||
| 635 | V | 28.6 | Very low | 26.1 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 94.3 | 155.4 | -174.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 636 | N | 26.2 | Very low | 25.9 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -172 | 112.7 | 143.2 | -98.6 | -12 | 0 | 0 | 0 | 108.1 | ||||
| 637 | G | 21.7 | Very low | 25.9 | Very low | 76 Ų | 76 | 146.3 Ų | 146.3 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | -98.8 | 137.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 638 | S | 24.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -141.2 | 127.6 | 161.6 | -64.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 639 | A | 25.4 | Very low | 25.4 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -103.1 | 141.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 640 | E | 25 | Very low | 25.1 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -161.7 | 147.3 | 147.9 | -112.7 | 163.6 | -155.5 | 0 | 0 | 110.2 | ||||
| 641 | H | 24.2 | Very low | 25 | Very low | 192 Ų | 192 | 145 Ų | 145 | 89% | 0.889 | 83% | 0.828 | S | S | * | * | trans | -82.1 | 172 | 177.7 | -67.4 | -100.2 | 0 | 0 | 0 | 110.3 | ||||
| 642 | A | 23.7 | Very low | 25.2 | Very low | 70 Ų | 70 | 144 Ų | 144 | 58% | 0.579 | 82% | 0.819 | S | S | * | * | cis | -158.4 | 166.9 | 15.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 643 | E | 24.2 | Very low | 24.7 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 53.7 | 144.1 | 142.9 | -71.1 | 165.4 | -146.1 | 0 | 0 | 121.4 | ||||
| 644 | D | 22.4 | Very low | 24.4 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | cis | -168.4 | 138.3 | -24.1 | -142.3 | -7.3 | 0 | 0 | 0 | 107.9 | ||||
| 645 | A | 24.3 | Very low | 24.2 | Very low | 99 Ų | 99 | 144 Ų | 144 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | 177 | 123 | 160 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 646 | E | 21.7 | Very low | 24.1 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | trans | -67.1 | 147.8 | -173.1 | -50.5 | 171.7 | 114.2 | 0 | 0 | 115.6 | ||||
| 647 | V | 24.9 | Very low | 23.9 | Very low | 146 Ų | 146 | 145.1 Ų | 145.1 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | -148.3 | 125.5 | 109.7 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 648 | A | 24.4 | Very low | 24 | Very low | 89 Ų | 89 | 148.9 Ų | 148.9 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -18.4 | 127 | 174.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 649 | S | 21.2 | Very low | 24 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -121.5 | 143.7 | 140.5 | 63.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 650 | K | 23.8 | Very low | 24 | Very low | 201 Ų | 201 | 151.4 Ų | 151.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -140.6 | 102.7 | 176.8 | -81.6 | -171.6 | 176.5 | 179.7 | 0 | 112 | ||||
| 651 | T | 27 | Very low | 23.9 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 152.3 | 136.2 | 25.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 652 | P | 28.9 | Very low | 23.9 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | -157.9 | 167.7 | 85.1 | 42.3 | -22 | 0 | 0 | 0 | 118.5 | |||||
| 653 | Q | 21 | Very low | 23.8 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | 49.2 | 142.9 | 137.6 | -69.5 | 166 | -65.7 | 0 | 0 | 124.5 | ||||
| 654 | F | 22.4 | Very low | 23.7 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 146.1 | 159.8 | -73.1 | -108.7 | 0 | 0 | 0 | 112.4 | ||||
| 655 | L | 22.6 | Very low | 23.8 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | -179.3 | 137.3 | 103.8 | -93.4 | 172.9 | 0 | 0 | 0 | 114.3 | |||||
| 656 | L | 25.4 | Very low | 23.6 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 11.1 | 132 | 147.5 | -162.1 | 75.8 | 0 | 0 | 0 | 122.7 | ||||
| 657 | E | 23.2 | Very low | 24.3 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 172.1 | 150.8 | 131 | -99.9 | 171.4 | 179.4 | 0 | 0 | 109.3 | ||||
| 658 | E | 24 | Very low | 24.2 | Very low | 154 Ų | 154 | 147.4 Ų | 147.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -161.3 | 164.6 | -13.4 | -152.8 | -173 | -172.9 | 0 | 0 | 108.8 | ||||
| 659 | L | 24.4 | Very low | 24 | Very low | 137 Ų | 137 | 148.2 Ų | 148.2 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | 152.8 | 114 | 129.6 | -78.1 | 173.6 | 0 | 0 | 0 | 115.6 | |||||
| 660 | I | 25.3 | Very low | 24.1 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | 77.6 | 88.3 | 144.7 | -51.5 | 164.4 | 0 | 0 | 0 | 119.6 | ||||
| 661 | S | 21.9 | Very low | 24.1 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | 28.7 | 125.8 | 118.5 | -46.9 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 662 | T | 24.5 | Very low | 24 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | -177.1 | 148.5 | 94.1 | 26.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 663 | D | 22.6 | Very low | 23.8 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | 56.6 | 125.8 | 158.4 | -79.1 | -15.9 | 0 | 0 | 0 | 126.1 | ||||
| 664 | R | 20.9 | Very low | 23.9 | Very low | 230 Ų | 230 | 145.4 Ų | 145.4 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | trans | -79.9 | 172.3 | 153.9 | -85.5 | -177.8 | 174.2 | -172.7 | 0.2 | 109.1 | ||||
| 665 | P | 26.1 | Very low | 24.3 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | cis | -145.9 | 173.6 | 26.4 | 43 | -22.8 | 0 | 0 | 0 | 118.8 | ||||
| 666 | H | 20.3 | Very low | 24.3 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | trans | -69 | -173.6 | 153.9 | -68.4 | -76.9 | 0 | 0 | 0 | 111.5 | ||||
| 667 | P | 35.7 | Very low | 24.2 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -134.1 | -159.7 | -7.4 | 27.8 | -2.5 | 0 | 0 | 0 | 113.6 | ||||
| 668 | S | 21.7 | Very low | 24.2 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 100.5 | 147.9 | 151.7 | 81.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 669 | S | 22.1 | Very low | 24.1 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | cis | 178.4 | 163.3 | -15.9 | -91.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 670 | S | 22 | Very low | 24.2 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 77 | 109.4 | 154.7 | -56.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 671 | A | 24.3 | Very low | 25 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -48 | 152.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 672 | T | 25.3 | Very low | 25 | Very low | 137 Ų | 137 | 137.6 Ų | 137.6 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -151.3 | 134.2 | 131.7 | -18.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 673 | M | 24.5 | Very low | 24.9 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 17.1 | 137.1 | 150.1 | -59.8 | -63.9 | -159.8 | 0 | 0 | 123.7 | ||||
| 674 | L | 22.9 | Very low | 24.9 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 80% | 0.801 | 77% | 0.77 | S | S | * | * | trans | -51.7 | 154.8 | 150.3 | -90.3 | 107.1 | 0 | 0 | 0 | 113.2 | ||||
| 675 | P | 30.4 | Very low | 25 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | -146.2 | 134 | 88.4 | 30.3 | -9 | 0 | 0 | 0 | 118.1 | |||||
| 676 | T | 22.5 | Very low | 24.9 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | trans | 28 | 129.1 | 132.7 | 18.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 677 | R | 24.1 | Very low | 24.9 | Very low | 220 Ų | 220 | 130.3 Ų | 130.3 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | 119.7 | 118.9 | 115.2 | -121.8 | -172.7 | 171 | 179.3 | -4.8 | 120 | |||||
| 678 | T | 23.3 | Very low | 24.4 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | 72.4 | 127.9 | 135.9 | 36.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 679 | M | 22.3 | Very low | 24.5 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 83% | 0.833 | 74% | 0.743 | S | S | * | * | trans | 78.1 | 114.1 | 141.1 | -69.5 | 173.3 | 170.2 | 0 | 0 | 119 | ||||
| 680 | V | 26.3 | Very low | 24.5 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | 68.1 | 130.3 | 65.3 | 174.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 681 | P | 40.8 | Very low | 24.6 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 73% | 0.729 | S | S | * | * | cis | -130.6 | -165.9 | -29 | 36.8 | -17.5 | 0 | 0 | 0 | 110.9 | ||||
| 682 | S | 22.6 | Very low | 24.5 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | 158.8 | 120.1 | 122.3 | -72.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 683 | H | 22.8 | Very low | 24.5 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 66.6 | 100.2 | 130.6 | -69.4 | -68.4 | 0 | 0 | 0 | 122.3 | ||||
| 684 | T | 22.4 | Very low | 24.4 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | 80.7 | 135.5 | 114.7 | 54.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 685 | F | 22 | Very low | 25.4 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | trans | 100.4 | 98.9 | 131.2 | -99.5 | -122.7 | 0 | 0 | 0 | 119.9 | ||||
| 686 | T | 23.7 | Very low | 25.1 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | 74 | 144.9 | 119.6 | 55.4 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 687 | D | 22.3 | Very low | 25.3 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 77.3 | 140.8 | 140.1 | -87.5 | 38 | 0 | 0 | 0 | 118.1 | ||||
| 688 | N | 24.3 | Very low | 25.3 | Very low | 111 Ų | 111 | 120 Ų | 120 | 59% | 0.594 | 73% | 0.729 | S | S | * | * | cis | -169.9 | 165.8 | -19.8 | -139.9 | -28.4 | 0 | 0 | 0 | 107 | ||||
| 689 | L | 23.5 | Very low | 25.6 | Very low | 145 Ų | 145 | 119.4 Ų | 119.4 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | 62.5 | 154.4 | 151 | -64.8 | 165.4 | 0 | 0 | 0 | 117.8 | ||||
| 690 | S | 23.1 | Very low | 25.7 | Very low | 88 Ų | 88 | 116.3 Ų | 116.3 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | cis | -178 | -175.7 | -28.1 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 691 | V | 23.9 | Very low | 25.8 | Very low | 111 Ų | 111 | 117.4 Ų | 117.4 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | trans | 86.3 | 95.2 | 157.3 | -176.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 692 | N | 22.4 | Very low | 25.1 | Very low | 150 Ų | 150 | 119.3 Ų | 119.3 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | 51.3 | 126.1 | 124 | -50.4 | -10.2 | 0 | 0 | 0 | 121.4 | |||||
| 693 | S | 23.5 | Very low | 25.3 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | -157.9 | 140.8 | 103.1 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 694 | A | 22.2 | Very low | 25.5 | Very low | 96 Ų | 96 | 119.9 Ų | 119.9 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | trans | -147.7 | -170.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 695 | P | 45.9 | Very low | 25.7 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | cis | -131.1 | -179.3 | -22.3 | 34.3 | -15.8 | 0 | 0 | 0 | 112.6 | ||||
| 696 | S | 23.1 | Very low | 25.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -158.8 | 97.4 | 152.1 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 697 | S | 27.1 | Very low | 25.8 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | 82.2 | 122.7 | 91 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 698 | G | 24.6 | Very low | 25.8 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | cis | 177.5 | -166 | 1.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 699 | A | 27.8 | Very low | 25.8 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | cis | -158.2 | 129.4 | -18.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 700 | S | 25.6 | Very low | 25.8 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 98.3 | 153.8 | 61.2 | -61 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 701 | L | 28 | Very low | 25.9 | Very low | 154 Ų | 154 | 127.3 Ų | 127.3 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 83 | 147 | 165 | -46.9 | -176.2 | 0 | 0 | 0 | 115.4 | ||||
| 702 | L | 26.3 | Very low | 26.1 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | -166.9 | 154.6 | -14.2 | -101.2 | 171.4 | 0 | 0 | 0 | 105.8 | ||||
| 703 | V | 26.1 | Very low | 26.2 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -156.2 | 173.9 | -4 | 74.4 | 0 | 0 | 0 | 0 | 110.4 | V705 | V703-V705 HydrophobicContact CG1-CG2 4.45Š| ||
| 704 | D | 28.2 | Very low | 26.6 | Very low | 145 Ų | 145 | 124.1 Ų | 124.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -83.3 | 133.5 | 177.6 | -179.9 | 17 | 0 | 0 | 0 | 113.8 | ||||
| 705 | V | 26.3 | Very low | 27.1 | Very low | 110 Ų | 110 | 126 Ų | 126 | 67% | 0.667 | 79% | 0.793 | S | S | * | * | trans | -152.7 | 104.1 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | V703 | V703-V705 HydrophobicContact CG1-CG2 4.45Š| ||
| 706 | F | 22.6 | Very low | 26.6 | Very low | 192 Ų | 192 | 129.5 Ų | 129.5 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 60.8 | 110.5 | 168.1 | -61.5 | -62.4 | 0 | 0 | 0 | 120.1 | ||||
| 707 | S | 24.4 | Very low | 27.3 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | -166.6 | 115.1 | 125.2 | -80.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 708 | D | 23.1 | Very low | 28.3 | Very low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -91.4 | 150.7 | 175.9 | -132.6 | -18.9 | 0 | 0 | 0 | 110.4 | ||||
| 709 | F | 23.4 | Very low | 29.7 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | 56.2 | 100.4 | 177.2 | -60.5 | -80.1 | 0 | 0 | 0 | 118.6 | ||||
| 710 | S | 25 | Very low | 31.1 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -138.8 | 142.8 | 145.3 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 711 | S | 25.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 137.8 | -176.7 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | A713 | S711-A713 PolarHBondContact O-N 3.13Š|
| 712 | A | 26.8 | Very low | 34.4 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 124.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 713 | A | 25.5 | Very low | 36.4 | Very low | 85 Ų | 85 | 123.5 Ų | 123.5 | 70% | 0.702 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 148.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S711 T715 | S711-A713 PolarHBondContact O-N 3.13Å; A713-T715 PolarHBondContact O-N 2.83Å |
| 714 | P | 31.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 126 Ų | 126 | 84% | 0.844 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 122.3 | 175.3 | 30.8 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 715 | T | 32.1 | Very low | 40 | Very low | 136 Ų | 136 | 121 Ų | 121 | 83% | 0.834 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -76 | 129 | 172.3 | 41.6 | 0 | 0 | 0 | 0 | 112.1 | A713 | A713-T715 PolarHBondContact O-N 2.83Š|
| 716 | E | 34.6 | Very low | 41.8 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 91% | 0.911 | 69% | 0.686 | S | S | * | * | trans | 15.3 | 120.2 | 160.2 | -61.2 | -179.4 | 154.1 | 0 | 0 | 119.1 | ||||
| 717 | S | 39.3 | Very low | 43.7 | Very low | 92 Ų | 92 | 118 Ų | 118 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | -81.9 | 134.5 | -176.2 | 49.9 | 0 | 0 | 0 | 0 | 114.3 | D719 | S717-D719 VanDerWaalsContact C-N 3.27Å; S717-D719 VanDerWaalsContact CB-OD2 3.24Å; S717-D719 WeakPolarHBondContact CB-OD2 3.44Å; S717-D719 PolarHBondContact O-N 3.45Å; S717-D719 PolarHBondContact OG-OD2 2.83Å | ||
| 718 | S | 47.3 | Very low | 46.2 | Very low | 45 Ų | 45 | 118.2 Ų | 118.2 | 32% | 0.315 | 67% | 0.668 | S | S | . | * | trans | -83.5 | 59 | 175.6 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | E720 | S718-E720 VanDerWaalsContact C-N 3.33Å; S718-E720 PolarHBondContact O-N 3.5Å | ||
| 719 | D | 53.3 | Low | 49 | Very low | 99 Ų | 99 | 115.6 Ų | 115.6 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -72.1 | -20.7 | -172.4 | -71.1 | -49.1 | 0 | 0 | 0 | 114.3 | S717 H721 F722 | S717-D719 VanDerWaalsContact C-N 3.27Å; S717-D719 VanDerWaalsContact CB-OD2 3.24Å; S717-D719 WeakPolarHBondContact CB-OD2 3.44Å; S717-D719 PolarHBondContact O-N 3.45Å; S717-D719 PolarHBondContact OG-OD2 2.83Å; D719-H721 PolarHBondContact O-N 3.43Å; D719-F722 PolarHBondContact O-N 3.23Å |
| 720 | E | 57.5 | Low | 51.9 | Low | 168 Ų | 168 | 111.3 Ų | 111.3 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -60 | -20.1 | 179.8 | -76.2 | -158.8 | 133.5 | 0 | 0 | 114.9 | S718 | S718-E720 VanDerWaalsContact C-N 3.33Å; S718-E720 PolarHBondContact O-N 3.5Å |
| 721 | H | 60.7 | Low | 54.6 | Low | 58 Ų | 58 | 106.7 Ų | 106.7 | 27% | 0.269 | 61% | 0.612 | S | S | . | * | G | 310 helix | trans | -100.4 | -15.5 | -171.5 | -65.4 | -1.5 | 0 | 0 | 0 | 113.8 | D719 R724 F725 I733 | D719-H721 PolarHBondContact O-N 3.43Å; H721-R724 PolarHBondContact O-N 3.18Å; H721-F725 WeakPolarHBondContact O-CD2 3.33Å; H721-I733 PolarHBondContact CD2-O 3.37Å |
| 722 | F | 63.8 | Low | 57.4 | Low | 120 Ų | 120 | 103.3 Ų | 103.3 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -58.6 | -43.2 | 177.1 | -93.8 | -84.3 | 0 | 0 | 0 | 115.3 | D719 R724 F725 | D719-F722 PolarHBondContact O-N 3.23Å; F722-R724 PolarHBondContact O-N 3.37Å; F722-F725 PolarHBondContact O-N 3.32Å |
| 723 | P | 68.1 | Low | 60.1 | Low | 87 Ų | 87 | 100 Ų | 100 | 57% | 0.565 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -58.6 | -25.3 | -175.3 | -27.5 | 35.7 | 0 | 0 | 0 | 114.3 | F725 V726 | P723-F725 VanDerWaalsContact C-N 3.28Å; P723-F725 PolarHBondContact O-N 2.9Å; P723-V726 PolarHBondContact O-N 3.47Å |
| 724 | R | 62.2 | Low | 62.8 | Low | 172 Ų | 172 | 100.4 Ų | 100.4 | 65% | 0.649 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -67.9 | -27.4 | -179.5 | -64.4 | 178.2 | 177.7 | 175.2 | 1.1 | 112.7 | H721 F722 V726 K728 | H721-R724 PolarHBondContact O-N 3.18Å; F722-R724 PolarHBondContact O-N 3.37Å; R724-V726 VanDerWaalsContact C-N 3.34Å; R724-K728 WeakPolarHBondContact O-CB 3.38Å; R724-K728 PolarHBondContact O-N 3.36Å |
| 725 | F | 66.6 | Low | 65.3 | Low | 39 Ų | 39 | 98.8 Ų | 98.8 | 17% | 0.171 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -82.9 | -7.7 | -178.5 | -66.8 | -87.4 | 0 | 0 | 0 | 114.1 | H721 F722 P723 C727 I733 L743 | H721-F725 WeakPolarHBondContact O-CD2 3.33Å; F722-F725 PolarHBondContact O-N 3.32Å; P723-F725 VanDerWaalsContact C-N 3.28Å; P723-F725 PolarHBondContact O-N 2.9Å; F725-C727 VanDerWaalsContact C-N 3.29Å; F725-I733 HydrophobicContact CD2-CG1 4.44Å; F725-I733 HydrophobicContact CE1-CG1 4.37Å; F725-I733 HydrophobicContact CE2-CG1 3.58Å; F725-I733 HydrophobicContact CZ-CD1 4.43Å; F725-I733 HydrophobicContact CZ-CG1 3.51Å; F725-L743 HydrophobicContact CD1-CD2 4.27Å; F725-L743 HydrophobicContact CE1-CB 3.93Å; F725-L743 HydrophobicContact CE1-CD2 4.36Å; F725-L743 HydrophobicContact CZ-CB 4.37Å |
| 726 | V | 64.9 | Low | 67.7 | Low | 123 Ų | 123 | 95 Ų | 95 | 75% | 0.745 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -67.5 | -33.3 | 171.1 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | P723 R724 | P723-V726 PolarHBondContact O-N 3.47Å; R724-V726 VanDerWaalsContact C-N 3.34Å |
| 727 | C | 62 | Low | 69.8 | Low | 117 Ų | 117 | 94.2 Ų | 94.2 | 79% | 0.791 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -4.7 | -175.4 | -61.2 | 0 | 0 | 0 | 0 | 114.1 | F725 | F725-C727 VanDerWaalsContact C-N 3.29Š|
| 728 | K | 77.3 | Confident | 71.6 | Confident | 132 Ų | 132 | 94.7 Ų | 94.7 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | trans | -133.1 | 130.3 | 179.6 | -66.5 | -174 | 177 | -178.7 | 0 | 111.6 | R724 N730 | R724-K728 WeakPolarHBondContact O-CB 3.38Å; R724-K728 PolarHBondContact O-N 3.36Å; K728-N730 PolarHBondContact O-N 2.86Å | ||
| 729 | N | 81.4 | Confident | 73.4 | Confident | 89 Ų | 89 | 94 Ų | 94 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -78.8 | 6.5 | 178.3 | -71 | -4.9 | 0 | 0 | 0 | 113.7 | K744 S745 | N729-K744 CarbonylContact O-C 3.51Å; N729-K744 VanDerWaalsContact O-CA 3.32Å; N729-K744 WeakPolarHBondContact O-CA 3.32Å; N729-S745 WeakPolarHBondContact CA-OG 3.47Å; N729-S745 WeakPolarHBondContact CB-O 3.3Å; N729-S745 PolarHBondContact O-N 3.25Å |
| 730 | N | 84.4 | Confident | 75 | Confident | 105 Ų | 105 | 91.6 Ų | 91.6 | 56% | 0.561 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 146.4 | 177.5 | 63.5 | -29.6 | 0 | 0 | 0 | 112 | K728 L743 K744 | K728-N730 PolarHBondContact O-N 2.86Å; N730-L743 WeakPolarHBondContact CA-O 3.29Å; N730-K744 HydrophobicContact CB-CG 4.44Å |
| 731 | G | 82.5 | Confident | 76.4 | Confident | 27 Ų | 27 | 85.5 Ų | 85.5 | 28% | 0.278 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -176.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G742 L743 | G731-G742 CarbonylContact O-C 3.57Å; G731-G742 VanDerWaalsContact O-CA 3.26Å; G731-G742 WeakPolarHBondContact O-CA 3.14Å; G731-L743 PolarHBondContact N-O 3.23Å; G731-L743 PolarHBondContact O-N 3.31Å |
| 732 | V | 83.5 | Confident | 77.6 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.8 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | Y734 E735 Q740 | V732-Y734 WeakPolarHBondContact CG1-O 3.39Å; V732-E735 HydrophobicContact CG1-CB 4.01Å; V732-Q740 HydrophobicContact CG1-CG 3.69Å; V732-Q740 HydrophobicContact CG2-CG 4.11Å |
| 733 | I | 84.2 | Confident | 78.7 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 17% | 0.169 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -43.7 | 178.2 | -64.7 | 179.7 | 0 | 0 | 0 | 109.9 | H721 F725 I741 L743 | H721-I733 PolarHBondContact CD2-O 3.37Å; F725-I733 HydrophobicContact CD2-CG1 4.44Å; F725-I733 HydrophobicContact CE1-CG1 4.37Å; F725-I733 HydrophobicContact CE2-CG1 3.58Å; F725-I733 HydrophobicContact CZ-CD1 4.43Å; F725-I733 HydrophobicContact CZ-CG1 3.51Å; I733-I741 PolarHBondContact N-O 2.98Å; I733-L743 HydrophobicContact CD1-CB 3.58Å; I733-L743 HydrophobicContact CD1-CD1 3.7Å; I733-L743 HydrophobicContact CD1-CG 4.23Å; I733-L743 HydrophobicContact CG1-CB 4.08Å |
| 734 | Y | 81.6 | Confident | 79.6 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 139.6 | -177.5 | 179 | -93.2 | 0 | 0 | 0 | 110 | V732 N736 I741 | V732-Y734 WeakPolarHBondContact CG1-O 3.39Å; Y734-N736 HydrophobicContact CE1-CB 3.94Å; Y734-N736 WeakPolarHBondContact CE1-ND2 3.46Å; Y734-N736 PolarHBondContact OH-ND2 2.84Å; Y734-I741 HydrophobicContact CD1-CD1 4.15Å; Y734-I741 HydrophobicContact CD1-CG1 4.28Å; Y734-I741 PolarHBondContact N-O 3.27Å; Y734-I741 PolarHBondContact O-N 3.12Å |
| 735 | E | 84.2 | Confident | 80.8 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 45% | 0.453 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 124.9 | 177.7 | -172.5 | 171 | 137.1 | 0 | 0 | 109.8 | V732 Q740 K761 | V732-E735 HydrophobicContact CG1-CB 4.01Å; E735-Q740 HydrophobicContact CG-CG 4.25Å; E735-Q740 PolarHBondContact OE2-NE2 2.84Å; E735-K761 HydrophobicContact CG-CD 4.22Å; E735-K761 IonicContact OE1-NZ 3.62Å; E735-K761 PolarHBondContact OE1-NZ 3.17Å; E735-K761 IonicContact OE2-NZ 3.63Å |
| 736 | N | 82.9 | Confident | 81.6 | Confident | 55 Ų | 55 | 73.4 Ų | 73.4 | 29% | 0.294 | 38% | 0.38 | S | S | . | . | trans | -130.3 | -172 | 167.7 | 73.6 | 20 | 0 | 0 | 0 | 110.1 | Y734 L738 L739 K761 | Y734-N736 HydrophobicContact CE1-CB 3.94Å; Y734-N736 WeakPolarHBondContact CE1-ND2 3.46Å; Y734-N736 PolarHBondContact OH-ND2 2.84Å; N736-L738 PolarHBondContact O-N 3.08Å; N736-L738 WeakPolarHBondContact OD1-CA 3.15Å; N736-L738 WeakPolarHBondContact OD1-CB 3.28Å; N736-L738 PolarHBondContact OD1-N 3.36Å; N736-L739 PolarHBondContact N-O 2.93Å; N736-L739 PolarHBondContact OD1-N 3.18Å; N736-L739 PolarHBondContact OD1-O 2.94Å; N736-K761 WeakPolarHBondContact O-CD 3.38Å | ||
| 737 | Q | 78.1 | Confident | 82.4 | Confident | 180 Ų | 180 | 73.8 Ų | 73.8 | 84% | 0.841 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -68.3 | -13.8 | -177.5 | -61.6 | -179.2 | 5.9 | 0 | 0 | 114 | ||
| 738 | L | 78.1 | Confident | 83 | Confident | 102 Ų | 102 | 76.7 Ų | 76.7 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -109.7 | -42.9 | -174.6 | -54.7 | 175 | 0 | 0 | 0 | 112.2 | N736 N760 K761 T762 | N736-L738 PolarHBondContact O-N 3.08Å; N736-L738 WeakPolarHBondContact OD1-CA 3.15Å; N736-L738 WeakPolarHBondContact OD1-CB 3.28Å; N736-L738 PolarHBondContact OD1-N 3.36Å; L738-N760 PolarHBondContact O-OD1 2.66Å; L738-K761 PolarHBondContact O-N 3.21Å; L738-T762 HydrophobicContact CB-CG2 4.27Å; L738-T762 HydrophobicContact CD2-CG2 3.66Å |
| 739 | L | 83.8 | Confident | 83 | Confident | 30 Ų | 30 | 80 Ų | 80 | 16% | 0.157 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.3 | -168.4 | -176.4 | 68.7 | 0 | 0 | 0 | 111.3 | N736 I741 Y758 F766 F769 | N736-L739 PolarHBondContact N-O 2.93Å; N736-L739 PolarHBondContact OD1-N 3.18Å; N736-L739 PolarHBondContact OD1-O 2.94Å; L739-I741 HydrophobicContact CD2-CD1 3.91Å; L739-I741 HydrophobicContact CD2-CG1 3.81Å; L739-I741 HydrophobicContact CG-CG1 3.98Å; L739-Y758 HydrophobicContact CD1-CD1 4.39Å; L739-F766 HydrophobicContact CB-CZ 4.44Å; L739-F766 HydrophobicContact CD1-CE2 3.61Å; L739-F766 HydrophobicContact CD1-CZ 3.78Å; L739-F769 HydrophobicContact CD2-CE2 4.43Å |
| 740 | Q | 86.9 | Confident | 82.8 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 22% | 0.224 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.1 | 166.8 | -167.8 | -179.1 | 53.1 | 0 | 0 | 108.9 | V732 E735 Y758 G759 K761 | V732-Q740 HydrophobicContact CG1-CG 3.69Å; V732-Q740 HydrophobicContact CG2-CG 4.11Å; E735-Q740 HydrophobicContact CG-CG 4.25Å; E735-Q740 PolarHBondContact OE2-NE2 2.84Å; Q740-Y758 CarbonylContact O-C 3.58Å; Q740-Y758 WeakPolarHBondContact O-CA 3.23Å; Q740-G759 PolarHBondContact N-O 3.3Å; Q740-G759 PolarHBondContact O-N 2.65Å; Q740-K761 HydrophobicContact CB-CD 4.25Å; Q740-K761 HydrophobicContact CB-CG 4.29Å |
| 741 | I | 86.4 | Confident | 82.2 | Confident | 41 Ų | 41 | 83.2 Ų | 83.2 | 21% | 0.21 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 112.7 | 174.6 | -48.9 | -180 | 0 | 0 | 0 | 107.8 | I733 Y734 L739 V756 Y758 | I733-I741 PolarHBondContact N-O 2.98Å; Y734-I741 HydrophobicContact CD1-CD1 4.15Å; Y734-I741 HydrophobicContact CD1-CG1 4.28Å; Y734-I741 PolarHBondContact N-O 3.27Å; Y734-I741 PolarHBondContact O-N 3.12Å; L739-I741 HydrophobicContact CD2-CD1 3.91Å; L739-I741 HydrophobicContact CD2-CG1 3.81Å; L739-I741 HydrophobicContact CG-CG1 3.98Å; I741-V756 HydrophobicContact CG2-CG1 3.78Å; I741-Y758 HydrophobicContact CB-CD1 4.48Å; I741-Y758 HydrophobicContact CB-CE1 4.49Å; I741-Y758 HydrophobicContact CD1-CD1 4.45Å; I741-Y758 HydrophobicContact CD1-CE1 4.12Å; I741-Y758 HydrophobicContact CG1-CD1 3.95Å; I741-Y758 HydrophobicContact CG1-CE1 4.04Å; I741-Y758 HydrophobicContact CG2-CD1 4.16Å; I741-Y758 HydrophobicContact CG2-CE1 3.81Å |
| 742 | G | 86.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 84.2 Ų | 84.2 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 161.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G731 V756 F757 | G731-G742 CarbonylContact O-C 3.57Å; G731-G742 VanDerWaalsContact O-CA 3.26Å; G731-G742 WeakPolarHBondContact O-CA 3.14Å; G742-V756 WeakPolarHBondContact O-CA 3.42Å; G742-F757 VanDerWaalsContact C-CD1 3.46Å; G742-F757 VanDerWaalsContact CA-CZ 3.49Å; G742-F757 PolarHBondContact N-O 3.17Å; G742-F757 WeakPolarHBondContact O-CD1 3.45Å; G742-F757 PolarHBondContact O-N 3.38Å |
| 743 | L | 87.6 | Confident | 82 | Confident | 15 Ų | 15 | 90 Ų | 90 | 8% | 0.079 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.2 | -177.8 | -168.2 | 139.6 | 0 | 0 | 0 | 110.5 | F725 N730 G731 I733 M754 Y755 V756 | F725-L743 HydrophobicContact CD1-CD2 4.27Å; F725-L743 HydrophobicContact CE1-CB 3.93Å; F725-L743 HydrophobicContact CE1-CD2 4.36Å; F725-L743 HydrophobicContact CZ-CB 4.37Å; N730-L743 WeakPolarHBondContact CA-O 3.29Å; G731-L743 PolarHBondContact N-O 3.23Å; G731-L743 PolarHBondContact O-N 3.31Å; I733-L743 HydrophobicContact CD1-CB 3.58Å; I733-L743 HydrophobicContact CD1-CD1 3.7Å; I733-L743 HydrophobicContact CD1-CG 4.23Å; I733-L743 HydrophobicContact CG1-CB 4.08Å; L743-M754 HydrophobicContact CD1-CE 3.61Å; L743-M754 HydrophobicContact CD2-CE 4.01Å; L743-M754 HydrophobicContact CG-CE 4.42Å; L743-Y755 WeakPolarHBondContact CA-O 3.38Å; L743-V756 HydrophobicContact CD1-CG2 4.19Å |
| 744 | K | 86.1 | Confident | 82 | Confident | 125 Ų | 125 | 94 Ų | 94 | 54% | 0.543 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 125.3 | 172.9 | -177.1 | 179.5 | -179.8 | -178.7 | 0 | 109.2 | N729 N730 Y755 | N729-K744 CarbonylContact O-C 3.51Å; N729-K744 VanDerWaalsContact O-CA 3.32Å; N729-K744 WeakPolarHBondContact O-CA 3.32Å; N730-K744 HydrophobicContact CB-CG 4.44Å; K744-Y755 PolarHBondContact N-O 3.02Å; K744-Y755 PolarHBondContact O-N 3.36Å |
| 745 | S | 87.5 | Confident | 82.1 | Confident | 7 Ų | 7 | 95.2 Ų | 95.2 | 5% | 0.049 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.9 | -179.7 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | N729 R753 | N729-S745 WeakPolarHBondContact CA-OG 3.47Å; N729-S745 WeakPolarHBondContact CB-O 3.3Å; N729-S745 PolarHBondContact O-N 3.25Å; S745-R753 CarbonylContact C-O 3.32Å; S745-R753 VanDerWaalsContact CA-O 3.29Å; S745-R753 WeakPolarHBondContact CA-O 3.35Å |
| 746 | E | 83.2 | Confident | 82.1 | Confident | 74 Ų | 74 | 93.8 Ų | 93.8 | 35% | 0.346 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 121.9 | 168.8 | -173.1 | -174.3 | 169.5 | 0 | 0 | 108.2 | R748 R753 | E746-R748 IonicContact OE1-CZ 2.87Å; E746-R748 IonicContact OE1-NE 2.74Å; E746-R748 PolarHBondContact OE1-NE 2.87Å; E746-R748 IonicContact OE1-NH2 3.21Å; E746-R748 PolarHBondContact OE1-NH2 3.06Å; E746-R753 PolarHBondContact N-O 2.71Å; E746-R753 PolarHBondContact O-N 2.87Å |
| 747 | Y | 82.4 | Confident | 82.2 | Confident | 131 Ų | 131 | 95.4 Ų | 95.4 | 51% | 0.514 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130 | 179 | -59.7 | -78.6 | 0 | 0 | 0 | 110 | ||
| 748 | R | 74.1 | Confident | 82.6 | Confident | 179 Ų | 179 | 90.8 Ų | 90.8 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 110 | 171.6 | -63.9 | -170.8 | -171.2 | -160 | 2.7 | 108.8 | E746 N750 L751 | E746-R748 IonicContact OE1-CZ 2.87Å; E746-R748 IonicContact OE1-NE 2.74Å; E746-R748 PolarHBondContact OE1-NE 2.87Å; E746-R748 IonicContact OE1-NH2 3.21Å; E746-R748 PolarHBondContact OE1-NH2 3.06Å; R748-N750 PolarHBondContact O-N 2.96Å; R748-N750 VanDerWaalsContact O-N 3.15Å; R748-L751 PolarHBondContact N-O 3.01Å; R748-L751 PolarHBondContact O-N 3.15Å |
| 749 | Q | 77.4 | Confident | 82.9 | Confident | 200 Ų | 200 | 87 Ų | 87 | 94% | 0.935 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | -115.8 | -176.5 | -59.9 | 177.4 | -9.4 | 0 | 0 | 111.2 | ||
| 750 | N | 76.5 | Confident | 83 | Confident | 138 Ų | 138 | 88.4 Ų | 88.4 | 74% | 0.738 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.7 | -179.3 | 66.6 | -48.6 | 0 | 0 | 0 | 114.4 | R748 | R748-N750 PolarHBondContact O-N 2.96Å; R748-N750 VanDerWaalsContact O-N 3.15Å |
| 751 | L | 72 | Confident | 82.8 | Confident | 125 Ų | 125 | 90.5 Ų | 90.5 | 65% | 0.654 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.7 | -178 | -65.6 | 170.1 | 0 | 0 | 0 | 111 | R748 | R748-L751 PolarHBondContact N-O 3.01Å; R748-L751 PolarHBondContact O-N 3.15Å |
| 752 | G | 80.3 | Confident | 82.5 | Confident | 47 Ų | 47 | 90.5 Ų | 90.5 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 753 | R | 83.1 | Confident | 82 | Confident | 169 Ų | 169 | 96.7 Ų | 96.7 | 64% | 0.638 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.8 | 166 | -67.7 | -176.6 | 179.9 | 179 | 0.1 | 108.9 | S745 E746 Y755 | S745-R753 CarbonylContact C-O 3.32Å; S745-R753 VanDerWaalsContact CA-O 3.29Å; S745-R753 WeakPolarHBondContact CA-O 3.35Å; E746-R753 PolarHBondContact N-O 2.71Å; E746-R753 PolarHBondContact O-N 2.87Å; R753-Y755 HydrophobicContact CB-CE2 4.31Å |
| 754 | M | 83.4 | Confident | 81.5 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 58% | 0.581 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.6 | 178.1 | -66.9 | 168.6 | 72 | 0 | 0 | 108.5 | L743 | L743-M754 HydrophobicContact CD1-CE 3.61Å; L743-M754 HydrophobicContact CD2-CE 4.01Å; L743-M754 HydrophobicContact CG-CE 4.42Å |
| 755 | Y | 83.4 | Confident | 81 | Confident | 118 Ų | 118 | 102.6 Ų | 102.6 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.4 | 174.7 | -55.9 | -86.6 | 0 | 0 | 0 | 107.8 | L743 K744 R753 | L743-Y755 WeakPolarHBondContact CA-O 3.38Å; K744-Y755 PolarHBondContact N-O 3.02Å; K744-Y755 PolarHBondContact O-N 3.36Å; R753-Y755 HydrophobicContact CB-CE2 4.31Å |
| 756 | V | 85.1 | Confident | 80.5 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 41% | 0.412 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.6 | 168.9 | -173 | 0 | 0 | 0 | 0 | 107.7 | I741 G742 L743 Y758 | I741-V756 HydrophobicContact CG2-CG1 3.78Å; G742-V756 WeakPolarHBondContact O-CA 3.42Å; L743-V756 HydrophobicContact CD1-CG2 4.19Å; V756-Y758 HydrophobicContact CB-CE2 4.32Å; V756-Y758 HydrophobicContact CG1-CE1 4.16Å; V756-Y758 HydrophobicContact CG1-CE2 3.75Å |
| 757 | F | 84.9 | Confident | 80.1 | Confident | 89 Ų | 89 | 110.2 Ų | 110.2 | 39% | 0.39 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.6 | 176.1 | 64.5 | -93.6 | 0 | 0 | 0 | 110.7 | G742 | G742-F757 VanDerWaalsContact C-CD1 3.46Å; G742-F757 VanDerWaalsContact CA-CZ 3.49Å; G742-F757 PolarHBondContact N-O 3.17Å; G742-F757 WeakPolarHBondContact O-CD1 3.45Å; G742-F757 PolarHBondContact O-N 3.38Å |
| 758 | Y | 85.6 | Confident | 79.5 | Confident | 83 Ų | 83 | 109.2 Ų | 109.2 | 33% | 0.325 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.6 | 109.8 | -176.9 | -60.9 | -84.2 | 0 | 0 | 0 | 108.4 | L739 Q740 I741 V756 F769 T771 | L739-Y758 HydrophobicContact CD1-CD1 4.39Å; Q740-Y758 CarbonylContact O-C 3.58Å; Q740-Y758 WeakPolarHBondContact O-CA 3.23Å; I741-Y758 HydrophobicContact CB-CD1 4.48Å; I741-Y758 HydrophobicContact CB-CE1 4.49Å; I741-Y758 HydrophobicContact CD1-CD1 4.45Å; I741-Y758 HydrophobicContact CD1-CE1 4.12Å; I741-Y758 HydrophobicContact CG1-CD1 3.95Å; I741-Y758 HydrophobicContact CG1-CE1 4.04Å; I741-Y758 HydrophobicContact CG2-CD1 4.16Å; I741-Y758 HydrophobicContact CG2-CE1 3.81Å; V756-Y758 HydrophobicContact CB-CE2 4.32Å; V756-Y758 HydrophobicContact CG1-CE1 4.16Å; V756-Y758 HydrophobicContact CG1-CE2 3.75Å; Y758-F769 HydrophobicContact CD1-CE1 4.2Å; Y758-F769 AromaticContact CD1-CZ 3.55Å; Y758-F769 HydrophobicContact CD1-CZ 3.55Å; Y758-F769 HydrophobicContact CD2-CE1 4.04Å; Y758-F769 HydrophobicContact CD2-CZ 4.22Å; Y758-F769 AromaticContact CE1-CZ 3.91Å; Y758-F769 HydrophobicContact CE1-CZ 3.91Å; Y758-F769 HydrophobicContact CE2-CE1 4.48Å; Y758-F769 AromaticContact CG-CE1 3.89Å; Y758-F769 HydrophobicContact CG-CE1 3.89Å; Y758-F769 AromaticContact CG-CZ 3.71Å; Y758-F769 HydrophobicContact CG-CZ 3.71Å; Y758-T771 HydrophobicContact CD2-CG2 4.34Å; Y758-T771 HydrophobicContact CE1-CG2 4.09Å; Y758-T771 HydrophobicContact CE2-CG2 3.67Å |
| 759 | G | 84.2 | Confident | 79.5 | Confident | 21 Ų | 21 | 103.3 Ų | 103.3 | 22% | 0.216 | 53% | 0.534 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q740 | Q740-G759 PolarHBondContact N-O 3.3Å; Q740-G759 PolarHBondContact O-N 2.65Å |
| 760 | N | 85.5 | Confident | 79.1 | Confident | 61 Ų | 61 | 98.6 Ų | 98.6 | 33% | 0.326 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 125.8 | 168 | -173.6 | 5 | 0 | 0 | 0 | 109.3 | L738 T762 T764 F766 | L738-N760 PolarHBondContact O-OD1 2.66Å; N760-T762 PolarHBondContact OD1-N 3.28Å; N760-T762 PolarHBondContact OD1-OG1 3.33Å; N760-T764 PolarHBondContact ND2-O 3.06Å; N760-F766 HydrophobicContact CB-CD2 4.03Å; N760-F766 HydrophobicContact CB-CE2 3.5Å; N760-F766 HydrophobicContact CB-CZ 3.85Å; N760-F766 WeakPolarHBondContact OD1-CE1 3.35Å; N760-F766 WeakPolarHBondContact OD1-CZ 3.47Å |
| 761 | K | 83.7 | Confident | 78.9 | Confident | 92 Ų | 92 | 93.6 Ų | 93.6 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | trans | -100.6 | -5.5 | 176.6 | -73.3 | -166.5 | 160.6 | -139.6 | 0 | 113.5 | E735 N736 L738 Q740 | E735-K761 HydrophobicContact CG-CD 4.22Å; E735-K761 IonicContact OE1-NZ 3.62Å; E735-K761 PolarHBondContact OE1-NZ 3.17Å; E735-K761 IonicContact OE2-NZ 3.63Å; N736-K761 WeakPolarHBondContact O-CD 3.38Å; L738-K761 PolarHBondContact O-N 3.21Å; Q740-K761 HydrophobicContact CB-CD 4.25Å; Q740-K761 HydrophobicContact CB-CG 4.29Å | ||
| 762 | T | 79.7 | Confident | 78.8 | Confident | 40 Ų | 40 | 93.3 Ų | 93.3 | 25% | 0.245 | 51% | 0.506 | C | S | . | . | S | Bend | trans | -89 | 164.1 | 174 | 76 | 0 | 0 | 0 | 0 | 111.6 | L738 N760 T764 | L738-T762 HydrophobicContact CB-CG2 4.27Å; L738-T762 HydrophobicContact CD2-CG2 3.66Å; N760-T762 PolarHBondContact OD1-N 3.28Å; N760-T762 PolarHBondContact OD1-OG1 3.33Å; T762-T764 PolarHBondContact O-N 2.71Å; T762-T764 PolarHBondContact OG1-N 3.23Å; T762-T764 PolarHBondContact OG1-O 3.04Å; T762-T764 PolarHBondContact OG1-OG1 2.89Å |
| 763 | S | 77.4 | Confident | 78.3 | Confident | 130 Ų | 130 | 95.8 Ų | 95.8 | 91% | 0.909 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -78.4 | -2.6 | 170.4 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 764 | T | 75.9 | Confident | 77.6 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 58% | 0.577 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -110.4 | 132.8 | -175.2 | 48.2 | 0 | 0 | 0 | 0 | 110.8 | N760 T762 | N760-T764 PolarHBondContact ND2-O 3.06Å; T762-T764 PolarHBondContact O-N 2.71Å; T762-T764 PolarHBondContact OG1-N 3.23Å; T762-T764 PolarHBondContact OG1-O 3.04Å; T762-T764 PolarHBondContact OG1-OG1 2.89Å |
| 765 | Q | 76.1 | Confident | 76.8 | Confident | 171 Ų | 171 | 89.9 Ų | 89.9 | 80% | 0.799 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66.6 | 137.2 | 178.9 | -176.9 | 173 | -17.8 | 0 | 0 | 111.5 | Q767 | Q765-Q767 PolarHBondContact O-N 3.29Š|
| 766 | F | 76.8 | Confident | 75.9 | Confident | 64 Ų | 64 | 91 Ų | 91 | 28% | 0.281 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 124.3 | 172.3 | -63 | -43.4 | 0 | 0 | 0 | 111 | L739 N760 F769 | L739-F766 HydrophobicContact CB-CZ 4.44Å; L739-F766 HydrophobicContact CD1-CE2 3.61Å; L739-F766 HydrophobicContact CD1-CZ 3.78Å; N760-F766 HydrophobicContact CB-CD2 4.03Å; N760-F766 HydrophobicContact CB-CE2 3.5Å; N760-F766 HydrophobicContact CB-CZ 3.85Å; N760-F766 WeakPolarHBondContact OD1-CE1 3.35Å; N760-F766 WeakPolarHBondContact OD1-CZ 3.47Å; F766-F769 HydrophobicContact CB-CB 4.05Å |
| 767 | Q | 75.1 | Confident | 74.5 | Confident | 176 Ų | 176 | 94.1 Ų | 94.1 | 82% | 0.822 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -97.6 | 141.9 | 168.8 | -66.5 | 179.4 | -17.5 | 0 | 0 | 109.3 | Q765 F769 | Q765-Q767 PolarHBondContact O-N 3.29Å; Q767-F769 VanDerWaalsContact C-N 3.27Å; Q767-F769 PolarHBondContact O-N 3.19Å; Q767-F769 VanDerWaalsContact O-N 3.16Å |
| 768 | S | 68.9 | Low | 73.3 | Confident | 110 Ų | 110 | 95.8 Ų | 95.8 | 77% | 0.769 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 51.5 | 34.9 | 177.2 | -58 | 0 | 0 | 0 | 0 | 116.2 | S770 | S768-S770 PolarHBondContact O-N 3.29Š|
| 769 | F | 74.6 | Confident | 71.9 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 24% | 0.241 | 56% | 0.563 | C | S | . | * | trans | -73.1 | 116.9 | 176.4 | 176.7 | -98.8 | 0 | 0 | 0 | 111.7 | L739 Y758 F766 Q767 T771 L790 | L739-F769 HydrophobicContact CD2-CE2 4.43Å; Y758-F769 HydrophobicContact CD1-CE1 4.2Å; Y758-F769 AromaticContact CD1-CZ 3.55Å; Y758-F769 HydrophobicContact CD1-CZ 3.55Å; Y758-F769 HydrophobicContact CD2-CE1 4.04Å; Y758-F769 HydrophobicContact CD2-CZ 4.22Å; Y758-F769 AromaticContact CE1-CZ 3.91Å; Y758-F769 HydrophobicContact CE1-CZ 3.91Å; Y758-F769 HydrophobicContact CE2-CE1 4.48Å; Y758-F769 AromaticContact CG-CE1 3.89Å; Y758-F769 HydrophobicContact CG-CE1 3.89Å; Y758-F769 AromaticContact CG-CZ 3.71Å; Y758-F769 HydrophobicContact CG-CZ 3.71Å; F766-F769 HydrophobicContact CB-CB 4.05Å; Q767-F769 VanDerWaalsContact C-N 3.27Å; Q767-F769 PolarHBondContact O-N 3.19Å; Q767-F769 VanDerWaalsContact O-N 3.16Å; F769-T771 HydrophobicContact CD1-CG2 4.2Å; F769-T771 HydrophobicContact CE1-CG2 3.31Å; F769-T771 HydrophobicContact CE2-CG2 4.43Å; F769-T771 HydrophobicContact CZ-CG2 3.45Å; F769-T771 VanDerWaalsContact CZ-CG2 3.45Å; F769-L790 HydrophobicContact CB-CD1 4.04Å; F769-L790 HydrophobicContact CD1-CD1 4.16Å | ||
| 770 | S | 68.9 | Low | 70.6 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 57% | 0.572 | S | S | * | * | trans | -117.7 | 140.9 | 178.8 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | S768 | S768-S770 PolarHBondContact O-N 3.29Š| ||
| 771 | T | 72.8 | Confident | 69.2 | Low | 32 Ų | 32 | 100 Ų | 100 | 20% | 0.196 | 59% | 0.587 | C | S | . | * | trans | -121.8 | 128.8 | 178.2 | 56.5 | 0 | 0 | 0 | 0 | 111 | Y758 F769 | Y758-T771 HydrophobicContact CD2-CG2 4.34Å; Y758-T771 HydrophobicContact CE1-CG2 4.09Å; Y758-T771 HydrophobicContact CE2-CG2 3.67Å; F769-T771 HydrophobicContact CD1-CG2 4.2Å; F769-T771 HydrophobicContact CE1-CG2 3.31Å; F769-T771 HydrophobicContact CE2-CG2 4.43Å; F769-T771 HydrophobicContact CZ-CG2 3.45Å; F769-T771 VanDerWaalsContact CZ-CG2 3.45Å | ||
| 772 | S | 69.4 | Low | 67.9 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 83% | 0.832 | 60% | 0.603 | S | S | * | * | trans | -118.4 | 134.8 | 174.8 | 56 | 0 | 0 | 0 | 0 | 110 | ||||
| 773 | V | 70.1 | Confident | 67 | Low | 99 Ų | 99 | 105.4 Ų | 105.4 | 60% | 0.6 | 61% | 0.613 | S | S | * | * | trans | -111.9 | 120.2 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 774 | S | 68.8 | Low | 66.1 | Low | 118 Ų | 118 | 107.6 Ų | 107.6 | 83% | 0.825 | 61% | 0.614 | S | S | * | * | trans | -105.6 | 134.8 | 170.8 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 775 | S | 65.5 | Low | 65.2 | Low | 46 Ų | 46 | 106.9 Ų | 106.9 | 32% | 0.322 | 61% | 0.611 | S | S | . | * | trans | -124.4 | 150.9 | 170.8 | 51.8 | 0 | 0 | 0 | 0 | 110.1 | C780 | S775-C780 PolarHBondContact O-SG 2.77Å; S775-C780 PolarHBondContact OG-SG 2.83Å | ||
| 776 | N | 65 | Low | 64.2 | Low | 140 Ų | 140 | 104 Ų | 104 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | trans | -72.6 | 147.8 | 176.8 | -150.9 | -13.3 | 0 | 0 | 0 | 110.3 | V778 L779 | N776-V778 PolarHBondContact O-N 2.93Å; N776-L779 PolarHBondContact O-N 2.86Å | ||
| 777 | D | 56.3 | Low | 63.2 | Low | 135 Ų | 135 | 103.6 Ų | 103.6 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -52.6 | -34.3 | -158.1 | -82.4 | -30.2 | 0 | 0 | 0 | 115.6 | L779 C780 | D777-L779 PolarHBondContact O-N 2.62Å; D777-C780 PolarHBondContact O-N 3.49Å |
| 778 | V | 59.3 | Low | 62 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 75% | 0.752 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -25.2 | -179.1 | -173.6 | 0 | 0 | 0 | 0 | 112.9 | N776 | N776-V778 PolarHBondContact O-N 2.93Å |
| 779 | L | 55.9 | Low | 61.2 | Low | 99 Ų | 99 | 103.1 Ų | 103.1 | 52% | 0.518 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -98.5 | -19.3 | -179.1 | -75.8 | 165.7 | 0 | 0 | 0 | 113.5 | N776 D777 S781 H782 I783 | N776-L779 PolarHBondContact O-N 2.86Å; D777-L779 PolarHBondContact O-N 2.62Å; L779-S781 PolarHBondContact O-N 2.82Å; L779-H782 PolarHBondContact O-N 2.76Å; L779-I783 HydrophobicContact CB-CD1 3.91Å; L779-I783 WeakPolarHBondContact O-CG1 3.23Å; L779-I783 PolarHBondContact O-N 3.21Å |
| 780 | C | 57.2 | Low | 59.9 | Low | 62 Ų | 62 | 105.3 Ų | 105.3 | 42% | 0.419 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -56.1 | -36.3 | 179.8 | -76.4 | 0 | 0 | 0 | 0 | 113.3 | S775 D777 H782 | S775-C780 PolarHBondContact O-SG 2.77Å; S775-C780 PolarHBondContact OG-SG 2.83Å; D777-C780 PolarHBondContact O-N 3.49Å; C780-H782 PolarHBondContact O-N 2.96Å |
| 781 | S | 56.1 | Low | 58.4 | Low | 92 Ų | 92 | 105.8 Ų | 105.8 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -13.8 | 179.1 | 55.2 | 0 | 0 | 0 | 0 | 114.5 | L779 | L779-S781 PolarHBondContact O-N 2.82Š|
| 782 | H | 56.3 | Low | 57 | Low | 159 Ų | 159 | 108.3 Ų | 108.3 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | -6.5 | -172.9 | -66.6 | -64.9 | 0 | 0 | 0 | 113.9 | L779 C780 | L779-H782 PolarHBondContact O-N 2.76Å; C780-H782 PolarHBondContact O-N 2.96Å |
| 783 | I | 60.4 | Low | 55.3 | Low | 87 Ų | 87 | 115 Ų | 115 | 45% | 0.446 | 67% | 0.669 | S | S | . | * | trans | -108.8 | 121.7 | -178.5 | -64.3 | 173 | 0 | 0 | 0 | 110.1 | L779 C785 | L779-I783 HydrophobicContact CB-CD1 3.91Å; L779-I783 WeakPolarHBondContact O-CG1 3.23Å; L779-I783 PolarHBondContact O-N 3.21Å; I783-C785 HydrophobicContact CG2-CB 4.4Å | ||
| 784 | L | 57.9 | Low | 54.6 | Low | 176 Ų | 176 | 115.9 Ų | 115.9 | 92% | 0.921 | 67% | 0.673 | S | S | * | * | trans | -101.2 | 99.7 | 172.2 | -160 | 141.3 | 0 | 0 | 0 | 108.8 | ||||
| 785 | C | 58 | Low | 53.8 | Low | 78 Ų | 78 | 115.7 Ų | 115.7 | 53% | 0.527 | 67% | 0.665 | S | S | . | * | trans | -98.4 | 139.1 | -174.8 | -165.3 | 0 | 0 | 0 | 0 | 111.8 | I783 | I783-C785 HydrophobicContact CG2-CB 4.4Š| ||
| 786 | S | 55.7 | Low | 53.2 | Low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | trans | -133.7 | 104.2 | 169.8 | 61.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 787 | A | 55.9 | Low | 52.5 | Low | 56 Ų | 56 | 118.4 Ų | 118.4 | 46% | 0.463 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -84.8 | 132.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q789 | A787-Q789 PolarHBondContact O-N 3.24Š|
| 788 | P | 48.8 | Very low | 52.3 | Low | 97 Ų | 97 | 117.4 Ų | 117.4 | 63% | 0.63 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 123.1 | 171 | 30 | -31.3 | 0 | 0 | 0 | 110 | ||
| 789 | Q | 51.4 | Low | 51.8 | Low | 179 Ų | 179 | 116.9 Ų | 116.9 | 84% | 0.836 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 124.9 | 160.2 | -72.3 | -179.9 | -21 | 0 | 0 | 108.2 | A787 | A787-Q789 PolarHBondContact O-N 3.24Š|
| 790 | L | 47.2 | Very low | 51.5 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 53% | 0.529 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -68.9 | 135.8 | 161.1 | -78.6 | 158.2 | 0 | 0 | 0 | 107.7 | F769 A792 | F769-L790 HydrophobicContact CB-CD1 4.04Å; F769-L790 HydrophobicContact CD1-CD1 4.16Å; L790-A792 PolarHBondContact O-N 2.81Å |
| 791 | P | 38.6 | Very low | 51.1 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 135.3 | 174.2 | 26.5 | -33 | 0 | 0 | 0 | 109.2 | ||
| 792 | A | 42.2 | Very low | 50.6 | Low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -67 | 132.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | L790 | L790-A792 PolarHBondContact O-N 2.81Š|
| 793 | E | 35.3 | Very low | 50.1 | Low | 261 Ų | 261 | 122 Ų | 122 | 100% | 1.22 | 71% | 0.706 | S | S | * | * | trans | -73.2 | 0 | 165.1 | -70.2 | -168.8 | 139.1 | 0 | 0 | 110.7 |
Retrieved 793 of 793 residues in 368.3 ms
(Link to these results)