| 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 | 33.3 | Very low | 56.1 | Low | 242 Ų | 242 | 118.7 Ų | 118.7 | 100% | 1.192 | 63% | 0.632 | S | S | * | * | 0 | 105.2 | 0 | -72.6 | 177.6 | 94.2 | 0 | 0 | 108 | K3 | M1-K3 PolarHBondContact O-N 3.32Å; M1-K3 VanDerWaalsContact O-N 3.14Å | |||
| 2 | T | 41.5 | Very low | 58.7 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 91% | 0.914 | 62% | 0.622 | S | S | * | * | trans | -75.1 | 100.2 | -178.4 | -26.7 | 0 | 0 | 0 | 0 | 108.1 | A4 | T2-A4 PolarHBondContact O-N 3.26Å; T2-A4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | K | 37.8 | Very low | 61.1 | Low | 198 Ų | 198 | 113.7 Ų | 113.7 | 86% | 0.861 | 60% | 0.604 | S | S | * | * | trans | -64.9 | 106.1 | 169 | -83.5 | 179.7 | 173.6 | 178.5 | 0 | 106.9 | M1 E5 | M1-K3 PolarHBondContact O-N 3.32Å; M1-K3 VanDerWaalsContact O-N 3.14Å; K3-E5 PolarHBondContact O-N 3.27Å | ||
| 4 | A | 46.1 | Very low | 63.1 | Low | 88 Ų | 88 | 105.9 Ų | 105.9 | 73% | 0.727 | 56% | 0.563 | S | S | * | * | trans | -62.9 | 105.9 | 164 | 0 | 0 | 0 | 0 | 0 | 106.8 | T2 G6 | T2-A4 PolarHBondContact O-N 3.26Å; T2-A4 VanDerWaalsContact O-N 3.09Å; A4-G6 PolarHBondContact O-N 3.04Å; A4-G6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | E | 45.1 | Very low | 64.9 | Low | 176 Ų | 176 | 105.1 Ų | 105.1 | 82% | 0.822 | 56% | 0.555 | S | S | * | * | trans | -53.7 | 117.2 | 167 | -70.6 | -179.3 | 150.1 | 0 | 0 | 107.3 | K3 T7 | K3-E5 PolarHBondContact O-N 3.27Å; E5-T7 PolarHBondContact O-N 3.38Å | ||
| 6 | G | 47.6 | Very low | 66.5 | Low | 14 Ų | 14 | 104.6 Ų | 104.6 | 14% | 0.144 | 55% | 0.549 | C | S | . | . | trans | -52.2 | 119.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A4 K8 | A4-G6 PolarHBondContact O-N 3.04Å; A4-G6 VanDerWaalsContact O-N 3.11Å; G6-K8 PolarHBondContact O-N 3.32Å | ||
| 7 | T | 55.7 | Low | 67.9 | Low | 81 Ų | 81 | 101.1 Ų | 101.1 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | trans | -64.6 | 101.9 | -170.1 | 49.1 | 0 | 0 | 0 | 0 | 110 | E5 H9 D55 | E5-T7 PolarHBondContact O-N 3.38Å; T7-H9 WeakPolarHBondContact CB-ND1 3.4Å; T7-H9 PolarHBondContact O-N 3.09Å; T7-D55 VanDerWaalsContact O-OD2 3.08Å | ||
| 8 | K | 62.9 | Low | 69 | Low | 178 Ų | 178 | 95.6 Ų | 95.6 | 77% | 0.774 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 32.9 | 170.8 | -59.7 | 179.6 | 179.7 | 176.6 | 0 | 113.2 | G6 | G6-K8 PolarHBondContact O-N 3.32Š|
| 9 | H | 77.1 | Confident | 70 | Confident | 102 Ų | 102 | 91.9 Ų | 91.9 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 5.2 | -170 | -58.2 | 108.7 | 0 | 0 | 0 | 111.7 | T7 S11 L12 I13 | T7-H9 WeakPolarHBondContact CB-ND1 3.4Å; T7-H9 PolarHBondContact O-N 3.09Å; H9-S11 VanDerWaalsContact C-N 3.27Å; H9-S11 PolarHBondContact O-N 2.75Å; H9-L12 PolarHBondContact O-N 3.24Å; H9-L12 VanDerWaalsContact O-N 3.13Å; H9-I13 HydrophobicContact CB-CD1 4.29Å; H9-I13 VanDerWaalsContact O-CG1 3.28Å; H9-I13 WeakPolarHBondContact O-CG1 3.31Å; H9-I13 PolarHBondContact O-N 3.36Å |
| 10 | G | 84.6 | Confident | 70.9 | Confident | 2 Ų | 2 | 90.5 Ų | 90.5 | 2% | 0.021 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -56.5 | -43.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I13 A14 D55 S58 V59 | G10-I13 PolarHBondContact O-N 3.41Å; G10-A14 VanDerWaalsContact O-CB 3.3Å; G10-A14 WeakPolarHBondContact O-CB 3.43Å; G10-A14 PolarHBondContact O-N 3.05Å; G10-D55 WeakPolarHBondContact CA-O 3.44Å; G10-D55 PolarHBondContact N-OD1 2.91Å; G10-S58 PolarHBondContact O-OG 3.23Å; G10-V59 WeakPolarHBondContact O-CG2 3.19Å |
| 11 | S | 85 | Confident | 71.7 | Confident | 76 Ų | 76 | 86.2 Ų | 86.2 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | H9 A14 Q15 S58 | H9-S11 VanDerWaalsContact C-N 3.27Å; H9-S11 PolarHBondContact O-N 2.75Å; S11-A14 PolarHBondContact O-N 2.96Å; S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 2.76Å; S11-S58 PolarHBondContact N-OG 3.43Å; S11-S58 VanDerWaalsContact N-OG 3.16Å |
| 12 | L | 87.6 | Confident | 74.3 | Confident | 97 Ų | 97 | 76.1 Ų | 76.1 | 51% | 0.508 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 177 | -168.7 | 103.5 | 0 | 0 | 0 | 110.7 | H9 Q15 Q16 | H9-L12 PolarHBondContact O-N 3.24Å; H9-L12 VanDerWaalsContact O-N 3.13Å; L12-Q15 PolarHBondContact O-N 3.15Å; L12-Q16 VanDerWaalsContact O-CG 3.32Å; L12-Q16 WeakPolarHBondContact O-CG 3.31Å; L12-Q16 PolarHBondContact O-N 2.77Å |
| 13 | I | 89.5 | Confident | 76.5 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 177.1 | -68.1 | 165.3 | 0 | 0 | 0 | 110 | H9 G10 Q15 Q16 M17 V59 | H9-I13 HydrophobicContact CB-CD1 4.29Å; H9-I13 VanDerWaalsContact O-CG1 3.28Å; H9-I13 WeakPolarHBondContact O-CG1 3.31Å; H9-I13 PolarHBondContact O-N 3.36Å; G10-I13 PolarHBondContact O-N 3.41Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 3.26Å; I13-Q16 PolarHBondContact O-N 3Å; I13-M17 HydrophobicContact CG2-CG 4.3Å; I13-M17 HydrophobicContact CG2-SD 3.53Å; I13-M17 VanDerWaalsContact CG2-SD 3.53Å; I13-M17 WeakPolarHBondContact O-CB 3.5Å; I13-M17 WeakPolarHBondContact O-CG 3.33Å; I13-M17 PolarHBondContact O-N 3.17Å; I13-V59 HydrophobicContact CB-CG2 4.15Å; I13-V59 HydrophobicContact CG2-CG1 4.44Å; I13-V59 HydrophobicContact CG2-CG2 3.9Å |
| 14 | A | 89.6 | Confident | 78.9 | Confident | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.033 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G10 S11 M17 L18 S58 A62 | G10-A14 VanDerWaalsContact O-CB 3.3Å; G10-A14 WeakPolarHBondContact O-CB 3.43Å; G10-A14 PolarHBondContact O-N 3.05Å; S11-A14 PolarHBondContact O-N 2.96Å; A14-M17 PolarHBondContact O-N 3.47Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.93Å; A14-S58 VanDerWaalsContact CB-O 3.27Å; A14-S58 WeakPolarHBondContact CB-O 3.16Å; A14-A62 HydrophobicContact CB-CB 3.78Å |
| 15 | Q | 89.3 | Confident | 81 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 177.5 | -175.2 | 178.9 | -11.6 | 0 | 0 | 111.8 | S11 L12 I13 M17 L18 D19 | S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 2.76Å; L12-Q15 PolarHBondContact O-N 3.15Å; I13-Q15 VanDerWaalsContact C-N 3.31Å; I13-Q15 PolarHBondContact O-N 3.26Å; Q15-M17 VanDerWaalsContact C-N 3.31Å; Q15-M17 PolarHBondContact O-N 3.38Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q15-D19 PolarHBondContact O-N 3.48Å |
| 16 | Q | 90.5 | Very high | 83.2 | Confident | 98 Ų | 98 | 59.1 Ų | 59.1 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -37.8 | 178.1 | -69 | -57.8 | -49.7 | 0 | 0 | 112.2 | L12 I13 L18 D19 V20 | L12-Q16 VanDerWaalsContact O-CG 3.32Å; L12-Q16 WeakPolarHBondContact O-CG 3.31Å; L12-Q16 PolarHBondContact O-N 2.77Å; I13-Q16 PolarHBondContact O-N 3Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 3.1Å; Q16-D19 PolarHBondContact O-N 3.41Å; Q16-V20 WeakPolarHBondContact O-CB 3.26Å; Q16-V20 VanDerWaalsContact O-CG2 3.29Å; Q16-V20 WeakPolarHBondContact O-CG2 3.47Å; Q16-V20 PolarHBondContact O-N 3.4Å |
| 17 | M | 90.6 | Very high | 85.3 | Confident | 44 Ų | 44 | 61.2 Ų | 61.2 | 22% | 0.217 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.6 | -71.1 | 168.2 | 67.4 | 0 | 0 | 111.6 | I13 A14 Q15 A21 M35 V59 I66 | I13-M17 HydrophobicContact CG2-CG 4.3Å; I13-M17 HydrophobicContact CG2-SD 3.53Å; I13-M17 VanDerWaalsContact CG2-SD 3.53Å; I13-M17 WeakPolarHBondContact O-CB 3.5Å; I13-M17 WeakPolarHBondContact O-CG 3.33Å; I13-M17 PolarHBondContact O-N 3.17Å; A14-M17 PolarHBondContact O-N 3.47Å; Q15-M17 VanDerWaalsContact C-N 3.31Å; Q15-M17 PolarHBondContact O-N 3.38Å; M17-A21 VanDerWaalsContact O-CB 3.25Å; M17-A21 WeakPolarHBondContact O-CB 3.2Å; M17-A21 PolarHBondContact O-N 3.32Å; M17-M35 HydrophobicContact CE-CE 3.32Å; M17-M35 HydrophobicContact CE-SD 3.09Å; M17-M35 WeakPolarHBondContact CE-SD 3.2Å; M17-V59 HydrophobicContact CE-CG1 4.03Å; M17-V59 HydrophobicContact SD-CG1 3.73Å; M17-I66 HydrophobicContact CB-CD1 4.4Å |
| 18 | L | 88.1 | Confident | 87 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.6 | -75 | 164 | 0 | 0 | 0 | 112 | A14 Q15 Q16 V20 A21 V22 A62 W65 I66 L221 | A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 2.93Å; Q15-L18 PolarHBondContact O-N 2.97Å; Q16-L18 VanDerWaalsContact C-N 3.34Å; Q16-L18 PolarHBondContact O-N 3.1Å; L18-V20 VanDerWaalsContact C-N 3.3Å; L18-V20 PolarHBondContact O-N 2.9Å; L18-A21 PolarHBondContact O-N 3.07Å; L18-V22 VanDerWaalsContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CB 3.48Å; L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 2.71Å; L18-A62 HydrophobicContact CD1-CB 3.94Å; L18-A62 HydrophobicContact CD2-CB 4.43Å; L18-A62 HydrophobicContact CG-CB 3.86Å; L18-W65 HydrophobicContact CD2-CB 4.45Å; L18-W65 HydrophobicContact CD2-CD2 3.91Å; L18-W65 HydrophobicContact CD2-CE3 3.27Å; L18-W65 HydrophobicContact CD2-CG 4.41Å; L18-W65 HydrophobicContact CD2-CZ3 3.84Å; L18-I66 HydrophobicContact CD2-CD1 4.12Å; L18-I66 HydrophobicContact CD2-CG1 3.7Å; L18-I66 HydrophobicContact CG-CD1 4.49Å; L18-L221 HydrophobicContact CD1-CD1 4.02Å; L18-L221 HydrophobicContact CD1-CD2 3.33Å; L18-L221 HydrophobicContact CD1-CG 3.64Å |
| 19 | D | 87.1 | Confident | 88.5 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.139 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 179.2 | -79 | -29.9 | 0 | 0 | 0 | 110.9 | Q15 Q16 R23 | Q15-D19 PolarHBondContact O-N 3.48Å; Q16-D19 PolarHBondContact O-N 3.41Å; D19-R23 WeakPolarHBondContact O-CB 3.5Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.88Å; D19-R23 IonicContact OD1-NE 2.99Å; D19-R23 IonicContact OD1-NH2 2.74Å |
| 20 | V | 88.5 | Confident | 89.4 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.3 | -47.9 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | Q16 L18 V22 V24 I27 | Q16-V20 WeakPolarHBondContact O-CB 3.26Å; Q16-V20 VanDerWaalsContact O-CG2 3.29Å; Q16-V20 WeakPolarHBondContact O-CG2 3.47Å; Q16-V20 PolarHBondContact O-N 3.4Å; L18-V20 VanDerWaalsContact C-N 3.3Å; L18-V20 PolarHBondContact O-N 2.9Å; V20-V22 PolarHBondContact O-N 3Å; V20-V24 HydrophobicContact CG1-CG2 4.46Å; V20-V24 VanDerWaalsContact O-CB 3.3Å; V20-V24 WeakPolarHBondContact O-CB 2.98Å; V20-V24 PolarHBondContact O-N 3.06Å; V20-I27 HydrophobicContact CG1-CD1 4.3Å; V20-I27 HydrophobicContact CG1-CG2 3.9Å |
| 21 | A | 88.7 | Confident | 89.8 | Confident | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -40.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M17 L18 R28 A31 I66 | M17-A21 VanDerWaalsContact O-CB 3.25Å; M17-A21 WeakPolarHBondContact O-CB 3.2Å; M17-A21 PolarHBondContact O-N 3.32Å; L18-A21 PolarHBondContact O-N 3.07Å; A21-R28 WeakPolarHBondContact O-CG 3.44Å; A21-R28 PolarHBondContact O-NE 3.33Å; A21-A31 HydrophobicContact CB-CB 4.21Å; A21-I66 HydrophobicContact CB-CD1 3.75Å; A21-I66 HydrophobicContact CB-CG1 3.93Å; A21-I66 HydrophobicContact CB-CG2 4.15Å |
| 22 | V | 87.3 | Confident | 90.3 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -76.8 | -45.5 | -178.5 | 174 | 0 | 0 | 0 | 0 | 111.1 | L18 V20 R28 W65 F70 I219 | L18-V22 VanDerWaalsContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CB 3.48Å; L18-V22 WeakPolarHBondContact O-CG2 3.28Å; L18-V22 PolarHBondContact O-N 2.71Å; V20-V22 PolarHBondContact O-N 3Å; V22-R28 PolarHBondContact O-NH2 3.01Å; V22-W65 HydrophobicContact CG2-CH2 4.03Å; V22-W65 HydrophobicContact CG2-CZ3 3.67Å; V22-F70 HydrophobicContact CG2-CE2 3.99Å; V22-F70 HydrophobicContact CG2-CZ 4.02Å; V22-I219 HydrophobicContact CB-CD1 3.51Å; V22-I219 HydrophobicContact CG1-CD1 3.62Å; V22-I219 HydrophobicContact CG1-CG1 4.32Å; V22-I219 HydrophobicContact CG2-CD1 3.77Å |
| 23 | R | 86.6 | Confident | 90.6 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.6 | -36.1 | -174.1 | -60.9 | 176.8 | -179.7 | -166.3 | 3 | 112.7 | D19 L25 Y214 E216 V217 | D19-R23 WeakPolarHBondContact O-CB 3.5Å; D19-R23 WeakPolarHBondContact O-CG 3.48Å; D19-R23 PolarHBondContact O-N 2.88Å; D19-R23 IonicContact OD1-NE 2.99Å; D19-R23 IonicContact OD1-NH2 2.74Å; R23-L25 PolarHBondContact O-N 2.71Å; R23-Y214 WeakPolarHBondContact O-CB 3.46Å; R23-Y214 WeakPolarHBondContact O-CD1 3.25Å; R23-Y214 WeakPolarHBondContact O-CD2 3.15Å; R23-Y214 WeakPolarHBondContact O-CE2 3.03Å; R23-E216 VanDerWaalsContact NH1-CB 3.32Å; R23-V217 PolarHBondContact NE-O 3.25Å; R23-V217 VanDerWaalsContact NH2-C 3.29Å; R23-V217 PolarHBondContact NH2-O 3.45Å |
| 24 | V | 88.7 | Confident | 90.9 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 33% | 0.327 | 27% | 0.266 | S | S | . | . | trans | -98 | 91.2 | -173.6 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | V20 P26 I27 | V20-V24 HydrophobicContact CG1-CG2 4.46Å; V20-V24 VanDerWaalsContact O-CB 3.3Å; V20-V24 WeakPolarHBondContact O-CB 2.98Å; V20-V24 PolarHBondContact O-N 3.06Å; V24-P26 VanDerWaalsContact C-N 3.34Å; V24-I27 HydrophobicContact CB-CG2 3.8Å; V24-I27 HydrophobicContact CG1-CB 4.24Å; V24-I27 HydrophobicContact CG1-CG2 3.93Å; V24-I27 WeakPolarHBondContact O-CG2 3.34Å; V24-I27 PolarHBondContact O-N 3.12Å | ||
| 25 | L | 89.8 | Confident | 91 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -52.2 | -44.8 | -175.9 | -52.6 | 176 | 0 | 0 | 0 | 113.4 | R23 I27 R28 Y214 | R23-L25 PolarHBondContact O-N 2.71Å; L25-I27 VanDerWaalsContact C-N 3.26Å; L25-I27 PolarHBondContact O-N 3.48Å; L25-R28 VanDerWaalsContact O-CB 3.24Å; L25-R28 WeakPolarHBondContact O-CB 3.35Å; L25-R28 VanDerWaalsContact O-CG 3.28Å; L25-R28 WeakPolarHBondContact O-CG 3.17Å; L25-R28 PolarHBondContact O-N 2.75Å; L25-Y214 HydrophobicContact CB-CE1 4.27Å; L25-Y214 WeakPolarHBondContact CB-OH 3.32Å; L25-Y214 HydrophobicContact CD1-CE1 3.5Å; L25-Y214 VanDerWaalsContact CD1-CE1 3.5Å; L25-Y214 WeakPolarHBondContact CD1-OH 3.33Å; L25-Y214 HydrophobicContact CD2-CE1 4.23Å; L25-Y214 HydrophobicContact CG-CD1 4.38Å; L25-Y214 HydrophobicContact CG-CE1 3.31Å; L25-Y214 WeakPolarHBondContact CG-OH 3.17Å |
| 26 | P | 92.9 | Very high | 91.2 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 42% | 0.422 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -78.5 | -8 | -168.7 | -29.3 | 47.9 | 0 | 0 | 0 | 115.1 | V24 L211 | V24-P26 VanDerWaalsContact C-N 3.34Å; P26-L211 HydrophobicContact CB-CD1 3.38Å; P26-L211 HydrophobicContact CB-CG 4.14Å; P26-L211 HydrophobicContact CG-CB 4.09Å; P26-L211 HydrophobicContact CG-CD1 3.32Å; P26-L211 HydrophobicContact CG-CG 3.47Å; P26-L211 VanDerWaalsContact CG-CG 3.47Å |
| 27 | I | 91.5 | Very high | 91.3 | Very high | 59 Ų | 59 | 47 Ų | 47 | 30% | 0.303 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -88.8 | -12.8 | 169.5 | -156.9 | 172.1 | 0 | 0 | 0 | 112.1 | V20 V24 L25 H29 F30 A31 | V20-I27 HydrophobicContact CG1-CD1 4.3Å; V20-I27 HydrophobicContact CG1-CG2 3.9Å; V24-I27 HydrophobicContact CB-CG2 3.8Å; V24-I27 HydrophobicContact CG1-CB 4.24Å; V24-I27 HydrophobicContact CG1-CG2 3.93Å; V24-I27 WeakPolarHBondContact O-CG2 3.34Å; V24-I27 PolarHBondContact O-N 3.12Å; L25-I27 VanDerWaalsContact C-N 3.26Å; L25-I27 PolarHBondContact O-N 3.48Å; I27-H29 VanDerWaalsContact C-N 3.33Å; I27-H29 PolarHBondContact O-N 3.44Å; I27-F30 HydrophobicContact CD1-CD1 4.31Å; I27-F30 HydrophobicContact CG1-CB 4.24Å; I27-F30 HydrophobicContact CG1-CD1 3.99Å; I27-F30 CarbonylContact O-C 3.28Å; I27-F30 WeakPolarHBondContact O-CA 3.22Å; I27-F30 WeakPolarHBondContact O-CB 3.27Å; I27-F30 PolarHBondContact O-N 3.45Å; I27-A31 PolarHBondContact O-N 3.37Å |
| 28 | R | 92 | Very high | 91.3 | Very high | 46 Ų | 46 | 47.2 Ų | 47.2 | 17% | 0.174 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -51.9 | -47.7 | -172 | -76.7 | 178.2 | 176.9 | -175 | -0.5 | 113.6 | A21 V22 L25 F30 A31 V32 | A21-R28 WeakPolarHBondContact O-CG 3.44Å; A21-R28 PolarHBondContact O-NE 3.33Å; V22-R28 PolarHBondContact O-NH2 3.01Å; L25-R28 VanDerWaalsContact O-CB 3.24Å; L25-R28 WeakPolarHBondContact O-CB 3.35Å; L25-R28 VanDerWaalsContact O-CG 3.28Å; L25-R28 WeakPolarHBondContact O-CG 3.17Å; L25-R28 PolarHBondContact O-N 2.75Å; R28-F30 VanDerWaalsContact C-N 3.31Å; R28-F30 PolarHBondContact O-N 2.85Å; R28-A31 PolarHBondContact O-N 2.85Å; R28-V32 WeakPolarHBondContact O-CB 3.26Å; R28-V32 VanDerWaalsContact O-CG2 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.18Å; R28-V32 PolarHBondContact O-N 2.87Å |
| 29 | H | 93.9 | Very high | 91.4 | Very high | 120 Ų | 120 | 47.3 Ų | 47.3 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -57.5 | -45 | 178 | -179.2 | 69.3 | 0 | 0 | 0 | 112.4 | I27 S33 | I27-H29 VanDerWaalsContact C-N 3.33Å; I27-H29 PolarHBondContact O-N 3.44Å; H29-S33 WeakPolarHBondContact O-CB 3.35Å; H29-S33 PolarHBondContact O-N 3.06Å; H29-S33 VanDerWaalsContact O-N 3.1Å |
| 30 | F | 95 | Very high | 91.5 | Very high | 119 Ų | 119 | 49.9 Ų | 49.9 | 52% | 0.522 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 175.9 | 177.5 | -102.7 | 0 | 0 | 0 | 111.7 | I27 R28 V32 S33 Q34 | I27-F30 HydrophobicContact CD1-CD1 4.31Å; I27-F30 HydrophobicContact CG1-CB 4.24Å; I27-F30 HydrophobicContact CG1-CD1 3.99Å; I27-F30 CarbonylContact O-C 3.28Å; I27-F30 WeakPolarHBondContact O-CA 3.22Å; I27-F30 WeakPolarHBondContact O-CB 3.27Å; I27-F30 PolarHBondContact O-N 3.45Å; R28-F30 VanDerWaalsContact C-N 3.31Å; R28-F30 PolarHBondContact O-N 2.85Å; F30-V32 PolarHBondContact O-N 3.22Å; F30-S33 PolarHBondContact O-N 2.96Å; F30-Q34 HydrophobicContact CD1-CG 4.23Å; F30-Q34 HydrophobicContact CD2-CG 4.39Å; F30-Q34 HydrophobicContact CE1-CG 3.78Å; F30-Q34 HydrophobicContact CE2-CG 3.95Å; F30-Q34 HydrophobicContact CZ-CG 3.62Å; F30-Q34 WeakPolarHBondContact O-CG 3.28Å; F30-Q34 PolarHBondContact O-N 3.36Å |
| 31 | A | 94.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.3 | -50.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | A21 I27 R28 S33 Q34 M35 | A21-A31 HydrophobicContact CB-CB 4.21Å; I27-A31 PolarHBondContact O-N 3.37Å; R28-A31 PolarHBondContact O-N 2.85Å; A31-S33 VanDerWaalsContact C-N 3.34Å; A31-S33 PolarHBondContact O-N 3.12Å; A31-Q34 PolarHBondContact O-N 3.41Å; A31-Q34 VanDerWaalsContact O-N 3.16Å; A31-M35 VanDerWaalsContact O-CG 3.25Å; A31-M35 WeakPolarHBondContact O-CG 3.38Å; A31-M35 PolarHBondContact O-N 3Å |
| 32 | V | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 177.6 | 173 | 0 | 0 | 0 | 0 | 111.2 | R28 F30 Q34 M35 A36 I66 F70 H73 L74 | R28-V32 WeakPolarHBondContact O-CB 3.26Å; R28-V32 VanDerWaalsContact O-CG2 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.18Å; R28-V32 PolarHBondContact O-N 2.87Å; F30-V32 PolarHBondContact O-N 3.22Å; V32-Q34 VanDerWaalsContact C-N 3.35Å; V32-Q34 PolarHBondContact O-N 3.43Å; V32-M35 PolarHBondContact O-N 2.64Å; V32-A36 WeakPolarHBondContact O-CB 3.29Å; V32-A36 PolarHBondContact O-N 3.01Å; V32-I66 HydrophobicContact CG2-CG2 3.8Å; V32-F70 HydrophobicContact CG2-CB 3.61Å; V32-F70 HydrophobicContact CG2-CD2 4.45Å; V32-F70 HydrophobicContact CG2-CG 4.48Å; V32-H73 HydrophobicContact CB-CB 4.02Å; V32-H73 HydrophobicContact CG1-CB 4.05Å; V32-H73 HydrophobicContact CG2-CB 4.08Å; V32-L74 HydrophobicContact CG1-CB 4.5Å; V32-L74 HydrophobicContact CG1-CD2 3.59Å; V32-L74 HydrophobicContact CG1-CG 3.85Å |
| 33 | S | 94.8 | Very high | 91 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 112.6 | H29 F30 A31 C37 | H29-S33 WeakPolarHBondContact O-CB 3.35Å; H29-S33 PolarHBondContact O-N 3.06Å; H29-S33 VanDerWaalsContact O-N 3.1Å; F30-S33 PolarHBondContact O-N 2.96Å; A31-S33 VanDerWaalsContact C-N 3.34Å; A31-S33 PolarHBondContact O-N 3.12Å; S33-C37 PolarHBondContact O-N 3.16Å; S33-C37 VanDerWaalsContact O-N 3.14Å |
| 34 | Q | 94.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 175.2 | -63.9 | -52 | -62.8 | 0 | 0 | 112.1 | F30 A31 V32 C37 L38 | F30-Q34 HydrophobicContact CD1-CG 4.23Å; F30-Q34 HydrophobicContact CD2-CG 4.39Å; F30-Q34 HydrophobicContact CE1-CG 3.78Å; F30-Q34 HydrophobicContact CE2-CG 3.95Å; F30-Q34 HydrophobicContact CZ-CG 3.62Å; F30-Q34 WeakPolarHBondContact O-CG 3.28Å; F30-Q34 PolarHBondContact O-N 3.36Å; A31-Q34 PolarHBondContact O-N 3.41Å; A31-Q34 VanDerWaalsContact O-N 3.16Å; V32-Q34 VanDerWaalsContact C-N 3.35Å; V32-Q34 PolarHBondContact O-N 3.43Å; Q34-C37 PolarHBondContact O-N 3.11Å; Q34-L38 PolarHBondContact O-N 2.9Å |
| 35 | M | 92.9 | Very high | 90.1 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 178 | -68.4 | -40.6 | 103.6 | 0 | 0 | 111.6 | M17 A31 V32 C37 L38 I39 A63 I66 C67 | M17-M35 HydrophobicContact CE-CE 3.32Å; M17-M35 HydrophobicContact CE-SD 3.09Å; M17-M35 WeakPolarHBondContact CE-SD 3.2Å; A31-M35 VanDerWaalsContact O-CG 3.25Å; A31-M35 WeakPolarHBondContact O-CG 3.38Å; A31-M35 PolarHBondContact O-N 3Å; V32-M35 PolarHBondContact O-N 2.64Å; M35-C37 VanDerWaalsContact C-N 3.34Å; M35-C37 PolarHBondContact O-N 2.86Å; M35-L38 WeakPolarHBondContact O-CB 3.3Å; M35-L38 PolarHBondContact O-N 3.38Å; M35-L38 VanDerWaalsContact O-N 3.15Å; M35-I39 WeakPolarHBondContact O-CD1 3.3Å; M35-I39 WeakPolarHBondContact O-CG1 3.47Å; M35-I39 PolarHBondContact O-N 3.44Å; M35-A63 HydrophobicContact CB-CB 3.95Å; M35-A63 HydrophobicContact CG-CB 4.09Å; M35-A63 HydrophobicContact SD-CB 3.6Å; M35-A63 VanDerWaalsContact SD-CB 3.6Å; M35-I66 HydrophobicContact CB-CG2 4.36Å; M35-I66 HydrophobicContact CG-CB 3.93Å; M35-I66 HydrophobicContact CG-CD1 3.92Å; M35-I66 HydrophobicContact CG-CG2 3.7Å; M35-I66 HydrophobicContact SD-CD1 4.22Å; M35-C67 VanDerWaalsContact CB-SG 3.5Å |
| 36 | A | 92.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | V32 L38 I39 D40 L74 T80 | V32-A36 WeakPolarHBondContact O-CB 3.29Å; V32-A36 PolarHBondContact O-N 3.01Å; A36-L38 VanDerWaalsContact C-N 3.28Å; A36-L38 PolarHBondContact O-N 3.14Å; A36-I39 WeakPolarHBondContact O-CB 3.3Å; A36-I39 PolarHBondContact O-N 3.27Å; A36-I39 VanDerWaalsContact O-N 3.09Å; A36-D40 PolarHBondContact O-N 3.05Å; A36-L74 HydrophobicContact CB-CD2 3.93Å; A36-T80 HydrophobicContact CB-CG2 4.39Å |
| 37 | C | 92.9 | Very high | 88.5 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 174.6 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | S33 Q34 M35 D40 N41 | S33-C37 PolarHBondContact O-N 3.16Å; S33-C37 VanDerWaalsContact O-N 3.14Å; Q34-C37 PolarHBondContact O-N 3.11Å; M35-C37 VanDerWaalsContact C-N 3.34Å; M35-C37 PolarHBondContact O-N 2.86Å; C37-D40 PolarHBondContact O-N 3.08Å; C37-N41 PolarHBondContact O-N 3.45Å; C37-N41 PolarHBondContact O-ND2 3.39Å |
| 38 | L | 91 | Very high | 87.3 | Confident | 47 Ų | 47 | 52.2 Ų | 52.2 | 25% | 0.246 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.1 | -176.6 | 61.7 | 0 | 0 | 0 | 111.9 | Q34 M35 A36 N41 A42 V45 V59 L60 A63 | Q34-L38 PolarHBondContact O-N 2.9Å; M35-L38 WeakPolarHBondContact O-CB 3.3Å; M35-L38 PolarHBondContact O-N 3.38Å; M35-L38 VanDerWaalsContact O-N 3.15Å; A36-L38 VanDerWaalsContact C-N 3.28Å; A36-L38 PolarHBondContact O-N 3.14Å; L38-N41 CarbonylContact O-C 3.45Å; L38-N41 PolarHBondContact O-N 3.15Å; L38-A42 PolarHBondContact O-N 2.69Å; L38-A42 VanDerWaalsContact O-N 3.16Å; L38-V45 HydrophobicContact CD1-CG2 4.47Å; L38-V59 HydrophobicContact CD2-CG1 3.81Å; L38-L60 HydrophobicContact CD2-CD2 4.43Å; L38-L60 HydrophobicContact CG-CD2 4.01Å; L38-A63 HydrophobicContact CD2-CB 3.9Å |
| 39 | I | 89.6 | Confident | 85.9 | Confident | 6 Ų | 6 | 53.9 Ų | 53.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 175.5 | -72.7 | 152.7 | 0 | 0 | 0 | 111.5 | M35 A36 N41 A42 A63 C67 T80 A83 M84 | M35-I39 WeakPolarHBondContact O-CD1 3.3Å; M35-I39 WeakPolarHBondContact O-CG1 3.47Å; M35-I39 PolarHBondContact O-N 3.44Å; A36-I39 WeakPolarHBondContact O-CB 3.3Å; A36-I39 PolarHBondContact O-N 3.27Å; A36-I39 VanDerWaalsContact O-N 3.09Å; I39-N41 PolarHBondContact O-N 3.35Å; I39-N41 VanDerWaalsContact O-N 3.12Å; I39-A42 WeakPolarHBondContact O-CB 3.08Å; I39-A42 PolarHBondContact O-N 3.02Å; I39-A63 HydrophobicContact CG1-CB 4.48Å; I39-C67 HydrophobicContact CD1-CB 4.01Å; I39-C67 WeakPolarHBondContact CD1-SG 3.5Å; I39-T80 HydrophobicContact CD1-CG2 4.14Å; I39-T80 HydrophobicContact CG2-CG2 4.19Å; I39-A83 HydrophobicContact CG2-CB 4.12Å; I39-M84 HydrophobicContact CD1-CE 3.41Å; I39-M84 VanDerWaalsContact CD1-CE 3.41Å; I39-M84 HydrophobicContact CG1-CE 3.97Å; I39-M84 HydrophobicContact CG2-CB 4.45Å; I39-M84 HydrophobicContact CG2-CE 4.02Å; I39-M84 HydrophobicContact CG2-CG 3.38Å |
| 40 | D | 89.6 | Confident | 84.5 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54.4 | -32.6 | 175 | -71.6 | -29.5 | 0 | 0 | 0 | 112.5 | A36 C37 A83 | A36-D40 PolarHBondContact O-N 3.05Å; C37-D40 PolarHBondContact O-N 3.08Å; D40-A83 HydrophobicContact CB-CB 4.44Å; D40-A83 WeakPolarHBondContact OD1-CB 2.92Å |
| 41 | N | 86.9 | Confident | 83.1 | Confident | 74 Ų | 74 | 53.2 Ų | 53.2 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 5.6 | -178.9 | -65 | -74.1 | 0 | 0 | 0 | 113.7 | C37 L38 I39 N43 M44 V45 | C37-N41 PolarHBondContact O-N 3.45Å; C37-N41 PolarHBondContact O-ND2 3.39Å; L38-N41 CarbonylContact O-C 3.45Å; L38-N41 PolarHBondContact O-N 3.15Å; I39-N41 PolarHBondContact O-N 3.35Å; I39-N41 VanDerWaalsContact O-N 3.12Å; N41-N43 PolarHBondContact O-N 2.89Å; N41-N43 VanDerWaalsContact O-N 3.14Å; N41-M44 PolarHBondContact O-N 3.41Å; N41-V45 WeakPolarHBondContact O-CG2 3.33Å; N41-V45 PolarHBondContact O-N 2.92Å |
| 42 | A | 85.8 | Confident | 81.8 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.8 | -36.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L38 I39 M44 V45 L46 L60 | L38-A42 PolarHBondContact O-N 2.69Å; L38-A42 VanDerWaalsContact O-N 3.16Å; I39-A42 WeakPolarHBondContact O-CB 3.08Å; I39-A42 PolarHBondContact O-N 3.02Å; A42-M44 PolarHBondContact O-N 3.2Å; A42-V45 WeakPolarHBondContact O-CB 3.38Å; A42-V45 PolarHBondContact O-N 2.86Å; A42-L46 WeakPolarHBondContact O-CB 3.2Å; A42-L46 VanDerWaalsContact O-CG 3.32Å; A42-L46 WeakPolarHBondContact O-CG 3.38Å; A42-L46 PolarHBondContact O-N 2.97Å; A42-L60 HydrophobicContact CB-CD1 4.28Å; A42-L60 HydrophobicContact CB-CD2 3.74Å |
| 43 | N | 81 | Confident | 80.8 | Confident | 45 Ų | 45 | 61.6 Ų | 61.6 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 175.2 | -93.4 | -40.1 | 0 | 0 | 0 | 112.8 | N41 V45 L46 I47 R86 T87 | N41-N43 PolarHBondContact O-N 2.89Å; N41-N43 VanDerWaalsContact O-N 3.14Å; N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 2.94Å; N43-L46 PolarHBondContact O-N 3.36Å; N43-I47 VanDerWaalsContact O-CD1 3.32Å; N43-I47 WeakPolarHBondContact O-CD1 3.33Å; N43-I47 WeakPolarHBondContact O-CG1 3.33Å; N43-I47 PolarHBondContact O-N 2.91Å; N43-I47 VanDerWaalsContact O-N 3.09Å; N43-R86 WeakPolarHBondContact ND2-CB 3.46Å; N43-R86 PolarHBondContact ND2-O 3.16Å; N43-R86 PolarHBondContact OD1-O 3.06Å; N43-T87 VanDerWaalsContact OD1-CA 3.27Å; N43-T87 WeakPolarHBondContact OD1-CA 3.16Å |
| 44 | M | 79.7 | Confident | 79.9 | Confident | 147 Ų | 147 | 63.4 Ų | 63.4 | 72% | 0.724 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.8 | -39.2 | 179.2 | -67.8 | -172.9 | 65.9 | 0 | 0 | 111.2 | N41 A42 | N41-M44 PolarHBondContact O-N 3.41Å; A42-M44 PolarHBondContact O-N 3.2Å |
| 45 | V | 75.9 | Confident | 79.1 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 179.1 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | L38 N41 A42 N43 L56 L60 | L38-V45 HydrophobicContact CD1-CG2 4.47Å; N41-V45 WeakPolarHBondContact O-CG2 3.33Å; N41-V45 PolarHBondContact O-N 2.92Å; A42-V45 WeakPolarHBondContact O-CB 3.38Å; A42-V45 PolarHBondContact O-N 2.86Å; N43-V45 VanDerWaalsContact C-N 3.31Å; N43-V45 PolarHBondContact O-N 2.94Å; V45-L56 HydrophobicContact CG1-CB 3.59Å; V45-L56 HydrophobicContact CG1-CD1 3.74Å; V45-L56 HydrophobicContact CG1-CD2 3.89Å; V45-L56 HydrophobicContact CG1-CG 3.92Å; V45-L60 HydrophobicContact CB-CD1 4.38Å; V45-L60 HydrophobicContact CG1-CD1 3.87Å; V45-L60 HydrophobicContact CG1-CG 4.38Å |
| 46 | L | 75.2 | Confident | 78.6 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -83.4 | -25.1 | -176.5 | -67.3 | 171.6 | 0 | 0 | 0 | 114.1 | A42 N43 G48 R53 L60 T87 M91 | A42-L46 WeakPolarHBondContact O-CB 3.2Å; A42-L46 VanDerWaalsContact O-CG 3.32Å; A42-L46 WeakPolarHBondContact O-CG 3.38Å; A42-L46 PolarHBondContact O-N 2.97Å; N43-L46 PolarHBondContact O-N 3.36Å; L46-G48 PolarHBondContact O-N 2.83Å; L46-R53 PolarHBondContact O-NE 3.39Å; L46-L60 HydrophobicContact CD1-CD1 4.11Å; L46-L60 HydrophobicContact CD2-CD1 3.68Å; L46-L60 HydrophobicContact CG-CD1 3.72Å; L46-T87 HydrophobicContact CD1-CG2 3.51Å; L46-M91 HydrophobicContact CB-CE 4.06Å |
| 47 | I | 74.4 | Confident | 78.1 | Confident | 112 Ų | 112 | 63.7 Ų | 63.7 | 57% | 0.574 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69 | -25.1 | 176.8 | -70.8 | 164.9 | 0 | 0 | 0 | 111.7 | N43 R53 M91 | N43-I47 VanDerWaalsContact O-CD1 3.32Å; N43-I47 WeakPolarHBondContact O-CD1 3.33Å; N43-I47 WeakPolarHBondContact O-CG1 3.33Å; N43-I47 PolarHBondContact O-N 2.91Å; N43-I47 VanDerWaalsContact O-N 3.09Å; I47-R53 PolarHBondContact O-NH2 3.04Å; I47-M91 HydrophobicContact CG1-CE 4.27Å |
| 48 | G | 67.5 | Low | 77.7 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -54.3 | 169.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L46 S50 R53 | L46-G48 PolarHBondContact O-N 2.83Å; G48-S50 PolarHBondContact O-N 2.99Å; G48-R53 VanDerWaalsContact O-CZ 3.27Å; G48-R53 PolarHBondContact O-NE 3.42Å; G48-R53 PolarHBondContact O-NH2 3.05Å |
| 49 | S | 61 | Low | 77.6 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 57% | 0.566 | 34% | 0.336 | S | S | * | . | trans | -50.3 | 136.1 | -175.7 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | Q51 Y52 | S49-Q51 PolarHBondContact O-N 3.25Å; S49-Y52 PolarHBondContact O-N 2.93Å | ||
| 50 | S | 66.1 | Low | 77.6 | Confident | 89 Ų | 89 | 60.9 Ų | 60.9 | 62% | 0.622 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -45.5 | -34.9 | -176.5 | -168.7 | 0 | 0 | 0 | 0 | 113.7 | G48 Y52 R53 | G48-S50 PolarHBondContact O-N 2.99Å; S50-Y52 PolarHBondContact O-N 3.35Å; S50-R53 PolarHBondContact O-N 3.42Å |
| 51 | Q | 64.9 | Low | 77.4 | Confident | 135 Ų | 135 | 58.3 Ų | 58.3 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.5 | -25.9 | -179.2 | -169.2 | 170 | -6.4 | 0 | 0 | 114.7 | S49 | S49-Q51 PolarHBondContact O-N 3.25Å |
| 52 | Y | 67.4 | Low | 77.6 | Confident | 86 Ų | 86 | 54.8 Ų | 54.8 | 34% | 0.337 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -103.8 | -9.2 | -179 | -56.4 | -74.5 | 0 | 0 | 0 | 113.4 | S49 S50 S54 D55 L56 | S49-Y52 PolarHBondContact O-N 2.93Å; S50-Y52 PolarHBondContact O-N 3.35Å; Y52-S54 PolarHBondContact O-N 3.12Å; Y52-D55 PolarHBondContact O-N 2.78Å; Y52-L56 WeakPolarHBondContact O-CB 3.3Å; Y52-L56 WeakPolarHBondContact O-CD1 3.33Å; Y52-L56 VanDerWaalsContact O-CG 3.22Å; Y52-L56 WeakPolarHBondContact O-CG 3.09Å; Y52-L56 PolarHBondContact O-N 3.22Å |
| 53 | R | 73.8 | Confident | 77.8 | Confident | 103 Ų | 103 | 54.5 Ų | 54.5 | 39% | 0.389 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | -172.7 | -70 | -174.5 | -177.5 | 140.4 | 3.6 | 112.4 | L46 I47 G48 S50 S57 | L46-R53 PolarHBondContact O-NE 3.39Å; I47-R53 PolarHBondContact O-NH2 3.04Å; G48-R53 VanDerWaalsContact O-CZ 3.27Å; G48-R53 PolarHBondContact O-NE 3.42Å; G48-R53 PolarHBondContact O-NH2 3.05Å; S50-R53 PolarHBondContact O-N 3.42Å; R53-S57 WeakPolarHBondContact O-CB 3.38Å; R53-S57 PolarHBondContact O-N 2.98Å; R53-S57 PolarHBondContact O-OG 3.43Å |
| 54 | S | 74.4 | Confident | 78.2 | Confident | 79 Ų | 79 | 52.4 Ų | 52.4 | 55% | 0.552 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.3 | -45.5 | 177.7 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | Y52 S57 S58 | Y52-S54 PolarHBondContact O-N 3.12Å; S54-S57 WeakPolarHBondContact CA-OG 3.26Å; S54-S57 PolarHBondContact O-OG 2.96Å; S54-S58 PolarHBondContact O-N 3.47Å |
| 55 | D | 78.5 | Confident | 78.6 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65 | -48.4 | 178.8 | -71.8 | -47.9 | 0 | 0 | 0 | 111 | T7 G10 Y52 S57 S58 V59 | T7-D55 VanDerWaalsContact O-OD2 3.08Å; G10-D55 WeakPolarHBondContact CA-O 3.44Å; G10-D55 PolarHBondContact N-OD1 2.91Å; Y52-D55 PolarHBondContact O-N 2.78Å; D55-S57 VanDerWaalsContact C-N 3.35Å; D55-S57 PolarHBondContact O-N 2.61Å; D55-S58 PolarHBondContact O-N 2.99Å; D55-S58 PolarHBondContact O-OG 3.43Å; D55-V59 PolarHBondContact O-N 3.22Å |
| 56 | L | 82.6 | Confident | 79.2 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 33% | 0.33 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -67.8 | -34.5 | -179.2 | -67.3 | 167.2 | 0 | 0 | 0 | 112.7 | V45 Y52 S58 V59 L60 | V45-L56 HydrophobicContact CG1-CB 3.59Å; V45-L56 HydrophobicContact CG1-CD1 3.74Å; V45-L56 HydrophobicContact CG1-CD2 3.89Å; V45-L56 HydrophobicContact CG1-CG 3.92Å; Y52-L56 WeakPolarHBondContact O-CB 3.3Å; Y52-L56 WeakPolarHBondContact O-CD1 3.33Å; Y52-L56 VanDerWaalsContact O-CG 3.22Å; Y52-L56 WeakPolarHBondContact O-CG 3.09Å; Y52-L56 PolarHBondContact O-N 3.22Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 3.3Å; L56-V59 PolarHBondContact O-N 3.07Å; L56-L60 WeakPolarHBondContact O-CB 3.05Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 3.15Å |
| 57 | S | 82.5 | Confident | 80 | Confident | 25 Ų | 25 | 45 Ų | 45 | 18% | 0.175 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.1 | -32.9 | 176.4 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | R53 S54 D55 Y61 | R53-S57 WeakPolarHBondContact O-CB 3.38Å; R53-S57 PolarHBondContact O-N 2.98Å; R53-S57 PolarHBondContact O-OG 3.43Å; S54-S57 WeakPolarHBondContact CA-OG 3.26Å; S54-S57 PolarHBondContact O-OG 2.96Å; D55-S57 VanDerWaalsContact C-N 3.35Å; D55-S57 PolarHBondContact O-N 2.61Å; S57-Y61 WeakPolarHBondContact O-CB 3.46Å; S57-Y61 PolarHBondContact O-N 3.04Å |
| 58 | S | 84.6 | Confident | 80.5 | Confident | 28 Ų | 28 | 39.7 Ų | 39.7 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 172.4 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | G10 S11 A14 S54 D55 L56 Y61 A62 | G10-S58 PolarHBondContact O-OG 3.23Å; S11-S58 PolarHBondContact N-OG 3.43Å; S11-S58 VanDerWaalsContact N-OG 3.16Å; A14-S58 VanDerWaalsContact CB-O 3.27Å; A14-S58 WeakPolarHBondContact CB-O 3.16Å; S54-S58 PolarHBondContact O-N 3.47Å; D55-S58 PolarHBondContact O-N 2.99Å; D55-S58 PolarHBondContact O-OG 3.43Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 3.3Å; S58-Y61 WeakPolarHBondContact O-CB 3.43Å; S58-Y61 PolarHBondContact O-N 3.23Å; S58-A62 PolarHBondContact O-N 2.95Å; S58-A62 VanDerWaalsContact O-N 3.1Å |
| 59 | V | 89.1 | Confident | 81.3 | Confident | 20 Ų | 20 | 42.3 Ų | 42.3 | 12% | 0.121 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -42.9 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 111.1 | G10 I13 M17 L38 D55 L56 Y61 A62 A63 | G10-V59 WeakPolarHBondContact O-CG2 3.19Å; I13-V59 HydrophobicContact CB-CG2 4.15Å; I13-V59 HydrophobicContact CG2-CG1 4.44Å; I13-V59 HydrophobicContact CG2-CG2 3.9Å; M17-V59 HydrophobicContact CE-CG1 4.03Å; M17-V59 HydrophobicContact SD-CG1 3.73Å; L38-V59 HydrophobicContact CD2-CG1 3.81Å; D55-V59 PolarHBondContact O-N 3.22Å; L56-V59 PolarHBondContact O-N 3.07Å; V59-Y61 VanDerWaalsContact C-N 3.27Å; V59-Y61 PolarHBondContact O-N 3.17Å; V59-A62 PolarHBondContact O-N 3.49Å; V59-A63 PolarHBondContact O-N 3.07Å |
| 60 | L | 88.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -35.9 | 175 | -77.8 | 169.3 | 0 | 0 | 0 | 111.9 | L38 A42 V45 L46 L56 A63 A64 I96 | L38-L60 HydrophobicContact CD2-CD2 4.43Å; L38-L60 HydrophobicContact CG-CD2 4.01Å; A42-L60 HydrophobicContact CB-CD1 4.28Å; A42-L60 HydrophobicContact CB-CD2 3.74Å; V45-L60 HydrophobicContact CB-CD1 4.38Å; V45-L60 HydrophobicContact CG1-CD1 3.87Å; V45-L60 HydrophobicContact CG1-CG 4.38Å; L46-L60 HydrophobicContact CD1-CD1 4.11Å; L46-L60 HydrophobicContact CD2-CD1 3.68Å; L46-L60 HydrophobicContact CG-CD1 3.72Å; L56-L60 WeakPolarHBondContact O-CB 3.05Å; L56-L60 WeakPolarHBondContact O-CG 3.37Å; L56-L60 PolarHBondContact O-N 3.15Å; L60-A63 PolarHBondContact O-N 3.37Å; L60-A64 WeakPolarHBondContact O-CB 3.16Å; L60-A64 PolarHBondContact O-N 2.9Å; L60-I96 HydrophobicContact CB-CD1 3.93Å |
| 61 | Y | 86.3 | Confident | 83.6 | Confident | 26 Ų | 26 | 36.1 Ų | 36.1 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 173.6 | 170.1 | -119.6 | 0 | 0 | 0 | 111.9 | S57 S58 V59 A63 A64 W65 K95 I96 V99 L221 | S57-Y61 WeakPolarHBondContact O-CB 3.46Å; S57-Y61 PolarHBondContact O-N 3.04Å; S58-Y61 WeakPolarHBondContact O-CB 3.43Å; S58-Y61 PolarHBondContact O-N 3.23Å; V59-Y61 VanDerWaalsContact C-N 3.27Å; V59-Y61 PolarHBondContact O-N 3.17Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.39Å; Y61-A64 PolarHBondContact O-N 3.01Å; Y61-W65 WeakPolarHBondContact O-CB 3.04Å; Y61-W65 PolarHBondContact O-N 2.86Å; Y61-K95 HydrophobicContact CD2-CB 3.72Å; Y61-K95 HydrophobicContact CE1-CD 4.17Å; Y61-K95 HydrophobicContact CE2-CB 3.58Å; Y61-K95 HydrophobicContact CE2-CD 4.3Å; Y61-K95 HydrophobicContact CE2-CG 4.49Å; Y61-K95 HydrophobicContact CG-CB 4.43Å; Y61-I96 HydrophobicContact CD2-CG1 4.12Å; Y61-I96 HydrophobicContact CG-CG1 4.44Å; Y61-V99 HydrophobicContact CE2-CG2 4.33Å; Y61-L221 HydrophobicContact CD1-CD2 3.91Å; Y61-L221 HydrophobicContact CE1-CB 4.14Å; Y61-L221 HydrophobicContact CE1-CD2 3.42Å; Y61-L221 VanDerWaalsContact CE1-CD2 3.42Å; Y61-L221 HydrophobicContact CE1-CG 4.32Å; Y61-L221 PolarHBondContact OH-O 2.99Å |
| 62 | A | 89.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.8 | -43 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A14 L18 S58 V59 W65 I66 | A14-A62 HydrophobicContact CB-CB 3.78Å; L18-A62 HydrophobicContact CD1-CB 3.94Å; L18-A62 HydrophobicContact CD2-CB 4.43Å; L18-A62 HydrophobicContact CG-CB 3.86Å; S58-A62 PolarHBondContact O-N 2.95Å; S58-A62 VanDerWaalsContact O-N 3.1Å; V59-A62 PolarHBondContact O-N 3.49Å; A62-W65 PolarHBondContact O-N 3.39Å; A62-I66 WeakPolarHBondContact O-CB 3.43Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.1Å |
| 63 | A | 91.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | M35 L38 I39 V59 L60 Y61 W65 I66 C67 | M35-A63 HydrophobicContact CB-CB 3.95Å; M35-A63 HydrophobicContact CG-CB 4.09Å; M35-A63 HydrophobicContact SD-CB 3.6Å; M35-A63 VanDerWaalsContact SD-CB 3.6Å; L38-A63 HydrophobicContact CD2-CB 3.9Å; I39-A63 HydrophobicContact CG1-CB 4.48Å; V59-A63 PolarHBondContact O-N 3.07Å; L60-A63 PolarHBondContact O-N 3.37Å; Y61-A63 VanDerWaalsContact C-N 3.31Å; Y61-A63 PolarHBondContact O-N 3.39Å; A63-W65 PolarHBondContact O-N 2.89Å; A63-I66 PolarHBondContact O-N 2.86Å; A63-C67 PolarHBondContact O-N 3.42Å; A63-C67 PolarHBondContact O-SG 2.95Å |
| 64 | A | 88.8 | Confident | 86.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | L60 Y61 I66 C67 G68 M84 I96 V99 | L60-A64 WeakPolarHBondContact O-CB 3.16Å; L60-A64 PolarHBondContact O-N 2.9Å; Y61-A64 PolarHBondContact O-N 3.01Å; A64-I66 PolarHBondContact O-N 3.28Å; A64-C67 WeakPolarHBondContact O-CB 3.44Å; A64-C67 PolarHBondContact O-N 3.04Å; A64-G68 PolarHBondContact O-N 3.15Å; A64-M84 HydrophobicContact CB-CE 3.88Å; A64-I96 HydrophobicContact CB-CG2 3.75Å; A64-V99 VanDerWaalsContact C-CG1 3.49Å; A64-V99 HydrophobicContact CB-CB 4.22Å; A64-V99 HydrophobicContact CB-CG1 3.96Å; A64-V99 HydrophobicContact CB-CG2 4.49Å; A64-V99 WeakPolarHBondContact O-CG1 3.42Å |
| 65 | W | 88.7 | Confident | 87.2 | Confident | 32 Ų | 32 | 31.4 Ų | 31.4 | 12% | 0.121 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | -179.3 | -170.6 | 97 | 0 | 0 | 0 | 111.8 | L18 V22 Y61 A62 A63 C67 G68 E69 F70 L225 | L18-W65 HydrophobicContact CD2-CB 4.45Å; L18-W65 HydrophobicContact CD2-CD2 3.91Å; L18-W65 HydrophobicContact CD2-CE3 3.27Å; L18-W65 HydrophobicContact CD2-CG 4.41Å; L18-W65 HydrophobicContact CD2-CZ3 3.84Å; V22-W65 HydrophobicContact CG2-CH2 4.03Å; V22-W65 HydrophobicContact CG2-CZ3 3.67Å; Y61-W65 WeakPolarHBondContact O-CB 3.04Å; Y61-W65 PolarHBondContact O-N 2.86Å; A62-W65 PolarHBondContact O-N 3.39Å; A63-W65 PolarHBondContact O-N 2.89Å; W65-C67 VanDerWaalsContact C-N 3.33Å; W65-C67 PolarHBondContact O-N 3.21Å; W65-G68 PolarHBondContact O-N 3.45Å; W65-G68 VanDerWaalsContact O-N 3.13Å; W65-E69 HydrophobicContact CD2-CB 4.43Å; W65-E69 HydrophobicContact CE3-CB 3.99Å; W65-E69 HydrophobicContact CH2-CB 3.84Å; W65-E69 HydrophobicContact CH2-CG 3.55Å; W65-E69 HydrophobicContact CZ2-CB 4.28Å; W65-E69 HydrophobicContact CZ2-CG 4.16Å; W65-E69 HydrophobicContact CZ3-CB 3.69Å; W65-E69 HydrophobicContact CZ3-CG 3.79Å; W65-E69 WeakPolarHBondContact O-CB 2.93Å; W65-E69 PolarHBondContact O-N 3.46Å; W65-F70 HydrophobicContact CZ3-CE2 4.37Å; W65-L225 HydrophobicContact CG-CD2 4.4Å |
| 66 | I | 89.2 | Confident | 87.6 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -44.1 | 177 | -71.1 | 164.7 | 0 | 0 | 0 | 110.8 | M17 L18 A21 V32 M35 A62 A63 A64 G68 F70 | M17-I66 HydrophobicContact CB-CD1 4.4Å; L18-I66 HydrophobicContact CD2-CD1 4.12Å; L18-I66 HydrophobicContact CD2-CG1 3.7Å; L18-I66 HydrophobicContact CG-CD1 4.49Å; A21-I66 HydrophobicContact CB-CD1 3.75Å; A21-I66 HydrophobicContact CB-CG1 3.93Å; A21-I66 HydrophobicContact CB-CG2 4.15Å; V32-I66 HydrophobicContact CG2-CG2 3.8Å; M35-I66 HydrophobicContact CB-CG2 4.36Å; M35-I66 HydrophobicContact CG-CB 3.93Å; M35-I66 HydrophobicContact CG-CD1 3.92Å; M35-I66 HydrophobicContact CG-CG2 3.7Å; M35-I66 HydrophobicContact SD-CD1 4.22Å; A62-I66 WeakPolarHBondContact O-CB 3.43Å; A62-I66 WeakPolarHBondContact O-CD1 3.22Å; A62-I66 WeakPolarHBondContact O-CG1 3.24Å; A62-I66 PolarHBondContact O-N 3.1Å; A63-I66 PolarHBondContact O-N 2.86Å; A64-I66 PolarHBondContact O-N 3.28Å; I66-G68 VanDerWaalsContact C-N 3.32Å; I66-G68 PolarHBondContact O-N 2.74Å; I66-F70 HydrophobicContact CG2-CD2 4.23Å; I66-F70 PolarHBondContact O-N 3.15Å |
| 67 | C | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 175.6 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | M35 I39 A63 A64 W65 S71 L74 L103 | M35-C67 VanDerWaalsContact CB-SG 3.5Å; I39-C67 HydrophobicContact CD1-CB 4.01Å; I39-C67 WeakPolarHBondContact CD1-SG 3.5Å; A63-C67 PolarHBondContact O-N 3.42Å; A63-C67 PolarHBondContact O-SG 2.95Å; A64-C67 WeakPolarHBondContact O-CB 3.44Å; A64-C67 PolarHBondContact O-N 3.04Å; W65-C67 VanDerWaalsContact C-N 3.33Å; W65-C67 PolarHBondContact O-N 3.21Å; C67-S71 WeakPolarHBondContact O-CA 3.34Å; C67-S71 WeakPolarHBondContact O-CB 3.45Å; C67-S71 PolarHBondContact O-N 2.95Å; C67-S71 VanDerWaalsContact O-N 3.14Å; C67-L74 HydrophobicContact CB-CD1 4.5Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; C67-L103 HydrophobicContact CB-CD1 4.28Å |
| 68 | G | 85.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -56.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A64 W65 I66 F70 S71 Y102 | A64-G68 PolarHBondContact O-N 3.15Å; W65-G68 PolarHBondContact O-N 3.45Å; W65-G68 VanDerWaalsContact O-N 3.13Å; I66-G68 VanDerWaalsContact C-N 3.32Å; I66-G68 PolarHBondContact O-N 2.74Å; G68-F70 PolarHBondContact O-N 3.01Å; G68-S71 WeakPolarHBondContact O-CB 3.5Å; G68-S71 PolarHBondContact O-OG 3.46Å; G68-Y102 WeakPolarHBondContact O-CE1 3.35Å |
| 69 | E | 84.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 33.1 Ų | 33.1 | 40% | 0.402 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.2 | -43 | -175.6 | -172.4 | 70.8 | -173.5 | 0 | 0 | 112.1 | W65 | W65-E69 HydrophobicContact CD2-CB 4.43Å; W65-E69 HydrophobicContact CE3-CB 3.99Å; W65-E69 HydrophobicContact CH2-CB 3.84Å; W65-E69 HydrophobicContact CH2-CG 3.55Å; W65-E69 HydrophobicContact CZ2-CB 4.28Å; W65-E69 HydrophobicContact CZ2-CG 4.16Å; W65-E69 HydrophobicContact CZ3-CB 3.69Å; W65-E69 HydrophobicContact CZ3-CG 3.79Å; W65-E69 WeakPolarHBondContact O-CB 2.93Å; W65-E69 PolarHBondContact O-N 3.46Å |
| 70 | F | 87.7 | Confident | 87.6 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 40.4 | -177.3 | -52.4 | -61.4 | 0 | 0 | 0 | 111.9 | V22 V32 W65 I66 G68 E72 H73 | V22-F70 HydrophobicContact CG2-CE2 3.99Å; V22-F70 HydrophobicContact CG2-CZ 4.02Å; V32-F70 HydrophobicContact CG2-CB 3.61Å; V32-F70 HydrophobicContact CG2-CD2 4.45Å; V32-F70 HydrophobicContact CG2-CG 4.48Å; W65-F70 HydrophobicContact CZ3-CE2 4.37Å; I66-F70 HydrophobicContact CG2-CD2 4.23Å; I66-F70 PolarHBondContact O-N 3.15Å; G68-F70 PolarHBondContact O-N 3.01Å; F70-E72 PolarHBondContact O-N 2.87Å; F70-E72 VanDerWaalsContact O-N 3.15Å; F70-H73 WeakPolarHBondContact O-CB 3.44Å; F70-H73 PolarHBondContact O-N 3.27Å |
| 71 | S | 87.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -56.1 | -26.6 | 179.5 | 47 | 0 | 0 | 0 | 0 | 114 | C67 G68 H73 L74 L106 | C67-S71 WeakPolarHBondContact O-CA 3.34Å; C67-S71 WeakPolarHBondContact O-CB 3.45Å; C67-S71 PolarHBondContact O-N 2.95Å; C67-S71 VanDerWaalsContact O-N 3.14Å; G68-S71 WeakPolarHBondContact O-CB 3.5Å; G68-S71 PolarHBondContact O-OG 3.46Å; S71-H73 PolarHBondContact O-N 3.15Å; S71-H73 VanDerWaalsContact O-N 3.15Å; S71-L74 WeakPolarHBondContact O-CB 3.43Å; S71-L74 PolarHBondContact O-N 3.14Å; S71-L106 VanDerWaalsContact CB-CD2 3.45Å; S71-L106 WeakPolarHBondContact OG-CD2 2.97Å |
| 72 | E | 87.2 | Confident | 87.2 | Confident | 151 Ų | 151 | 34.9 Ų | 34.9 | 71% | 0.706 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -59.1 | -21.1 | 172.1 | 62.8 | 175.6 | -173.6 | 0 | 0 | 114 | F70 | F70-E72 PolarHBondContact O-N 2.87Å; F70-E72 VanDerWaalsContact O-N 3.15Å |
| 73 | H | 90.4 | Very high | 87 | Confident | 50 Ų | 50 | 35 Ų | 35 | 23% | 0.231 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -98.9 | 0.3 | 178.8 | -63 | -35.5 | 0 | 0 | 0 | 113.5 | V32 F70 S71 | V32-H73 HydrophobicContact CB-CB 4.02Å; V32-H73 HydrophobicContact CG1-CB 4.05Å; V32-H73 HydrophobicContact CG2-CB 4.08Å; F70-H73 WeakPolarHBondContact O-CB 3.44Å; F70-H73 PolarHBondContact O-N 3.27Å; S71-H73 PolarHBondContact O-N 3.15Å; S71-H73 VanDerWaalsContact O-N 3.15Å |
| 74 | L | 90.1 | Very high | 86.7 | Confident | 16 Ų | 16 | 35.4 Ų | 35.4 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -65.9 | 126.5 | 177.8 | -76.5 | 169.4 | 0 | 0 | 0 | 110 | V32 A36 C67 S71 D76 P77 T80 L103 | V32-L74 HydrophobicContact CG1-CB 4.5Å; V32-L74 HydrophobicContact CG1-CD2 3.59Å; V32-L74 HydrophobicContact CG1-CG 3.85Å; A36-L74 HydrophobicContact CB-CD2 3.93Å; C67-L74 HydrophobicContact CB-CD1 4.5Å; C67-L74 HydrophobicContact CB-CD2 3.99Å; S71-L74 WeakPolarHBondContact O-CB 3.43Å; S71-L74 PolarHBondContact O-N 3.14Å; L74-D76 VanDerWaalsContact C-N 3.32Å; L74-P77 HydrophobicContact CB-CB 4.43Å; L74-P77 HydrophobicContact CB-CG 3.94Å; L74-P77 HydrophobicContact CD1-CB 4.35Å; L74-T80 HydrophobicContact CD2-CG2 4.24Å; L74-L103 HydrophobicContact CD1-CD2 3.99Å | ||
| 75 | P | 87.8 | Confident | 86.3 | Confident | 87 Ų | 87 | 36 Ų | 36 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -68.2 | -34.5 | 177.9 | 25.3 | -31.3 | 0 | 0 | 0 | 112 | ||
| 76 | D | 87.5 | Confident | 86 | Confident | 85 Ų | 85 | 41 Ų | 41 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | trans | -142.7 | 90.6 | 174.7 | -178.4 | 9.1 | 0 | 0 | 0 | 109.9 | L74 Q78 G79 T80 | L74-D76 VanDerWaalsContact C-N 3.32Å; D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 PolarHBondContact OD1-N 3.44Å; D76-G79 VanDerWaalsContact CG-N 3.26Å; D76-G79 PolarHBondContact OD1-N 2.84Å; D76-G79 VanDerWaalsContact OD2-CA 3.29Å; D76-G79 WeakPolarHBondContact OD2-CA 3.24Å; D76-G79 PolarHBondContact OD2-N 3.4Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.41Å; D76-T80 PolarHBondContact O-OG1 2.89Å | ||
| 77 | P | 84.4 | Confident | 85.5 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 34% | 0.338 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 178.4 | -22.9 | 31.6 | 0 | 0 | 0 | 112.7 | L74 T80 I81 | L74-P77 HydrophobicContact CB-CB 4.43Å; L74-P77 HydrophobicContact CB-CG 3.94Å; L74-P77 HydrophobicContact CD1-CB 4.35Å; P77-T80 PolarHBondContact O-N 2.89Å; P77-I81 WeakPolarHBondContact O-CD1 3.2Å; P77-I81 VanDerWaalsContact O-CG1 3.25Å; P77-I81 WeakPolarHBondContact O-CG1 3.46Å; P77-I81 PolarHBondContact O-N 2.87Å |
| 78 | Q | 81.8 | Confident | 84.7 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 15% | 0.15 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.2 | -47.7 | -178.6 | -72.4 | 179.6 | -11.2 | 0 | 0 | 111.1 | D76 T80 I81 E82 E111 L120 | D76-Q78 VanDerWaalsContact C-N 3.3Å; D76-Q78 PolarHBondContact O-N 3.23Å; D76-Q78 PolarHBondContact OD1-N 3.44Å; Q78-T80 VanDerWaalsContact C-N 3.26Å; Q78-T80 PolarHBondContact O-N 3.34Å; Q78-I81 PolarHBondContact O-N 2.89Å; Q78-I81 VanDerWaalsContact O-N 3.15Å; Q78-E82 WeakPolarHBondContact O-CG 3.47Å; Q78-E82 PolarHBondContact O-N 3.07Å; Q78-E111 PolarHBondContact NE2-OE2 2.96Å; Q78-L120 HydrophobicContact CG-CD1 4.26Å; Q78-L120 HydrophobicContact CG-CD2 4.34Å |
| 79 | G | 85.2 | Confident | 84.2 | Confident | 11 Ų | 11 | 48.4 Ų | 48.4 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D76 E82 A83 | D76-G79 VanDerWaalsContact CG-N 3.26Å; D76-G79 PolarHBondContact OD1-N 2.84Å; D76-G79 VanDerWaalsContact OD2-CA 3.29Å; D76-G79 WeakPolarHBondContact OD2-CA 3.24Å; D76-G79 PolarHBondContact OD2-N 3.4Å; G79-E82 PolarHBondContact O-N 3.4Å; G79-A83 WeakPolarHBondContact O-CB 3.49Å; G79-A83 PolarHBondContact O-N 3.48Å |
| 80 | T | 88.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 3% | 0.025 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | A36 I39 L74 D76 P77 Q78 A83 M84 | A36-T80 HydrophobicContact CB-CG2 4.39Å; I39-T80 HydrophobicContact CD1-CG2 4.14Å; I39-T80 HydrophobicContact CG2-CG2 4.19Å; L74-T80 HydrophobicContact CD2-CG2 4.24Å; D76-T80 WeakPolarHBondContact O-CB 3.28Å; D76-T80 PolarHBondContact O-N 3.41Å; D76-T80 PolarHBondContact O-OG1 2.89Å; P77-T80 PolarHBondContact O-N 2.89Å; Q78-T80 VanDerWaalsContact C-N 3.26Å; Q78-T80 PolarHBondContact O-N 3.34Å; T80-A83 WeakPolarHBondContact O-CB 2.99Å; T80-A83 PolarHBondContact O-N 3.01Å; T80-M84 HydrophobicContact CG2-CE 4.4Å; T80-M84 WeakPolarHBondContact O-CG 3.41Å; T80-M84 PolarHBondContact O-N 2.82Å |
| 81 | I | 83 | Confident | 83 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.3 | -72.1 | 162.5 | 0 | 0 | 0 | 110.8 | P77 Q78 A83 M84 L85 Y100 L103 L104 A107 | P77-I81 WeakPolarHBondContact O-CD1 3.2Å; P77-I81 VanDerWaalsContact O-CG1 3.25Å; P77-I81 WeakPolarHBondContact O-CG1 3.46Å; P77-I81 PolarHBondContact O-N 2.87Å; Q78-I81 PolarHBondContact O-N 2.89Å; Q78-I81 VanDerWaalsContact O-N 3.15Å; I81-A83 VanDerWaalsContact C-N 3.28Å; I81-A83 PolarHBondContact O-N 2.84Å; I81-M84 PolarHBondContact O-N 3.44Å; I81-L85 HydrophobicContact CG2-CD1 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.02Å; I81-Y100 HydrophobicContact CG2-CE2 3.85Å; I81-L103 HydrophobicContact CG1-CB 4.18Å; I81-L104 HydrophobicContact CG2-CB 4.49Å; I81-L104 HydrophobicContact CG2-CD1 3.67Å; I81-A107 HydrophobicContact CD1-CB 3.24Å |
| 82 | E | 82.9 | Confident | 82.4 | Confident | 84 Ų | 84 | 52 Ų | 52 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -40 | 175.8 | -72.9 | -174.2 | -177 | 0 | 0 | 111.8 | Q78 G79 L85 R86 L123 | Q78-E82 WeakPolarHBondContact O-CG 3.47Å; Q78-E82 PolarHBondContact O-N 3.07Å; G79-E82 PolarHBondContact O-N 3.4Å; E82-L85 WeakPolarHBondContact O-CB 3.38Å; E82-L85 PolarHBondContact O-N 3.49Å; E82-R86 WeakPolarHBondContact O-CG 3.18Å; E82-R86 PolarHBondContact O-N 3.09Å; E82-R86 IonicContact OE2-NH2 3.07Å; E82-R86 PolarHBondContact OE2-NH2 2.98Å; E82-R86 VanDerWaalsContact OE2-NH2 3.07Å; E82-L123 HydrophobicContact CG-CD2 4.09Å |
| 83 | A | 85.6 | Confident | 82 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | I39 D40 G79 T80 I81 L85 R86 | I39-A83 HydrophobicContact CG2-CB 4.12Å; D40-A83 HydrophobicContact CB-CB 4.44Å; D40-A83 WeakPolarHBondContact OD1-CB 2.92Å; G79-A83 WeakPolarHBondContact O-CB 3.49Å; G79-A83 PolarHBondContact O-N 3.48Å; T80-A83 WeakPolarHBondContact O-CB 2.99Å; T80-A83 PolarHBondContact O-N 3.01Å; I81-A83 VanDerWaalsContact C-N 3.28Å; I81-A83 PolarHBondContact O-N 2.84Å; A83-L85 PolarHBondContact O-N 3.22Å; A83-R86 PolarHBondContact O-N 2.86Å |
| 84 | M | 84.5 | Confident | 81.5 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 172.6 | -69.7 | -171.1 | 175.8 | 0 | 0 | 111 | I39 A64 T80 I81 R86 T87 Y100 L103 | I39-M84 HydrophobicContact CD1-CE 3.41Å; I39-M84 VanDerWaalsContact CD1-CE 3.41Å; I39-M84 HydrophobicContact CG1-CE 3.97Å; I39-M84 HydrophobicContact CG2-CB 4.45Å; I39-M84 HydrophobicContact CG2-CE 4.02Å; I39-M84 HydrophobicContact CG2-CG 3.38Å; A64-M84 HydrophobicContact CB-CE 3.88Å; T80-M84 HydrophobicContact CG2-CE 4.4Å; T80-M84 WeakPolarHBondContact O-CG 3.41Å; T80-M84 PolarHBondContact O-N 2.82Å; I81-M84 PolarHBondContact O-N 3.44Å; M84-R86 PolarHBondContact O-N 3.32Å; M84-T87 WeakPolarHBondContact O-CB 3.35Å; M84-T87 PolarHBondContact O-N 3.26Å; M84-T87 VanDerWaalsContact O-N 3.15Å; M84-Y100 HydrophobicContact CB-CD2 3.4Å; M84-Y100 VanDerWaalsContact CB-CD2 3.4Å; M84-Y100 HydrophobicContact CB-CE2 3.95Å; M84-Y100 HydrophobicContact CB-CG 4.35Å; M84-Y100 HydrophobicContact CG-CD2 4.19Å; M84-Y100 HydrophobicContact SD-CD2 3.79Å; M84-Y100 HydrophobicContact SD-CG 4.41Å; M84-L103 HydrophobicContact CE-CD1 3.54Å; M84-L103 HydrophobicContact SD-CD1 3.92Å |
| 85 | L | 80.1 | Confident | 81 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.7 | -23.3 | 178.9 | -79.6 | 176.6 | 0 | 0 | 0 | 116.3 | I81 E82 A83 T87 Y100 L123 K127 | I81-L85 HydrophobicContact CG2-CD1 4.47Å; I81-L85 WeakPolarHBondContact O-CG 3.37Å; I81-L85 PolarHBondContact O-N 3.02Å; E82-L85 WeakPolarHBondContact O-CB 3.38Å; E82-L85 PolarHBondContact O-N 3.49Å; A83-L85 PolarHBondContact O-N 3.22Å; L85-T87 PolarHBondContact O-N 3.06Å; L85-Y100 HydrophobicContact CD1-CE2 4.24Å; L85-Y100 WeakPolarHBondContact CD1-OH 3.26Å; L85-Y100 HydrophobicContact CD2-CE1 3.76Å; L85-Y100 HydrophobicContact CD2-CE2 3.76Å; L85-Y100 WeakPolarHBondContact CD2-OH 3.15Å; L85-Y100 HydrophobicContact CG-CE1 4.38Å; L85-Y100 HydrophobicContact CG-CE2 3.48Å; L85-Y100 VanDerWaalsContact CG-CE2 3.48Å; L85-Y100 WeakPolarHBondContact CG-OH 3.41Å; L85-L123 HydrophobicContact CD1-CD1 3.58Å; L85-L123 HydrophobicContact CD1-CD2 3.34Å; L85-L123 HydrophobicContact CD1-CG 3.26Å; L85-K127 HydrophobicContact CD1-CG 4.19Å; L85-K127 HydrophobicContact CD2-CB 3.65Å; L85-K127 HydrophobicContact CD2-CD 3.91Å; L85-K127 HydrophobicContact CD2-CG 3.48Å; L85-K127 VanDerWaalsContact CD2-CG 3.48Å; L85-K127 HydrophobicContact CG-CG 4.38Å |
| 86 | R | 82.1 | Confident | 80.8 | Confident | 137 Ų | 137 | 44.1 Ų | 44.1 | 52% | 0.517 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.2 | -25 | 171 | -69.9 | 172.5 | -160.9 | 118.3 | 8.8 | 110.1 | N43 E82 A83 M84 | N43-R86 WeakPolarHBondContact ND2-CB 3.46Å; N43-R86 PolarHBondContact ND2-O 3.16Å; N43-R86 PolarHBondContact OD1-O 3.06Å; E82-R86 WeakPolarHBondContact O-CG 3.18Å; E82-R86 PolarHBondContact O-N 3.09Å; E82-R86 IonicContact OE2-NH2 3.07Å; E82-R86 PolarHBondContact OE2-NH2 2.98Å; E82-R86 VanDerWaalsContact OE2-NH2 3.07Å; A83-R86 PolarHBondContact O-N 2.86Å; M84-R86 PolarHBondContact O-N 3.32Å |
| 87 | T | 79 | Confident | 80.7 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -77.3 | 127.5 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | N43 L46 M84 L85 T89 | N43-T87 VanDerWaalsContact OD1-CA 3.27Å; N43-T87 WeakPolarHBondContact OD1-CA 3.16Å; L46-T87 HydrophobicContact CD1-CG2 3.51Å; M84-T87 WeakPolarHBondContact O-CB 3.35Å; M84-T87 PolarHBondContact O-N 3.26Å; M84-T87 VanDerWaalsContact O-N 3.15Å; L85-T87 PolarHBondContact O-N 3.06Å; T87-T89 PolarHBondContact O-N 2.7Å |
| 88 | K | 74.9 | Confident | 80.6 | Confident | 140 Ų | 140 | 38.7 Ų | 38.7 | 61% | 0.609 | 20% | 0.201 | S | C | * | . | trans | -60.2 | 125.2 | 178.3 | -69.1 | -176.1 | 179.5 | -179.5 | 0 | 109.6 | S90 M91 | K88-S90 PolarHBondContact O-N 3.01Å; K88-S90 VanDerWaalsContact O-N 3.09Å; K88-M91 HydrophobicContact CB-CG 4.04Å; K88-M91 HydrophobicContact CB-SD 4.15Å; K88-M91 HydrophobicContact CD-SD 4.28Å; K88-M91 WeakPolarHBondContact O-CB 3.14Å; K88-M91 PolarHBondContact O-N 3.41Å | ||
| 89 | T | 73.5 | Confident | 80.5 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -53.2 | -35.4 | -179.3 | -49 | 0 | 0 | 0 | 0 | 112.4 | T87 M91 M92 Q97 Q130 F131 | T87-T89 PolarHBondContact O-N 2.7Å; T89-M91 VanDerWaalsContact C-N 3.26Å; T89-M91 PolarHBondContact O-N 2.74Å; T89-M92 PolarHBondContact O-N 3.27Å; T89-Q97 HydrophobicContact CG2-CG 4.24Å; T89-Q97 PolarHBondContact O-NE2 3.47Å; T89-Q130 PolarHBondContact OG1-OE1 3.2Å; T89-F131 HydrophobicContact CG2-CD1 3.57Å; T89-F131 HydrophobicContact CG2-CE1 3.57Å; T89-F131 HydrophobicContact CG2-CG 4.14Å; T89-F131 HydrophobicContact CG2-CZ 4.11Å |
| 90 | S | 74 | Confident | 80.4 | Confident | 114 Ų | 114 | 36.7 Ų | 36.7 | 80% | 0.797 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -66.9 | -19.1 | 177.3 | 60 | 0 | 0 | 0 | 0 | 115.2 | K88 | K88-S90 PolarHBondContact O-N 3.01Å; K88-S90 VanDerWaalsContact O-N 3.09Å |
| 91 | M | 72.5 | Confident | 80 | Confident | 69 Ų | 69 | 36.6 Ų | 36.6 | 34% | 0.34 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -92.2 | -11.2 | 179.1 | -63.3 | -176.5 | 66 | 0 | 0 | 112.6 | L46 I47 K88 T89 | L46-M91 HydrophobicContact CB-CE 4.06Å; I47-M91 HydrophobicContact CG1-CE 4.27Å; K88-M91 HydrophobicContact CB-CG 4.04Å; K88-M91 HydrophobicContact CB-SD 4.15Å; K88-M91 HydrophobicContact CD-SD 4.28Å; K88-M91 WeakPolarHBondContact O-CB 3.14Å; K88-M91 PolarHBondContact O-N 3.41Å; T89-M91 VanDerWaalsContact C-N 3.26Å; T89-M91 PolarHBondContact O-N 2.74Å |
| 92 | M | 76.5 | Confident | 79.9 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -102.8 | 128.6 | -170.3 | -174.3 | 162.6 | 73.7 | 0 | 0 | 110.2 | T89 I96 Q97 F131 | T89-M92 PolarHBondContact O-N 3.27Å; M92-I96 HydrophobicContact CE-CB 4.48Å; M92-I96 HydrophobicContact CE-CG2 4.29Å; M92-I96 HydrophobicContact CG-CB 3.5Å; M92-I96 VanDerWaalsContact CG-CB 3.5Å; M92-I96 HydrophobicContact CG-CD1 4.19Å; M92-I96 HydrophobicContact CG-CG1 4.24Å; M92-I96 HydrophobicContact CG-CG2 3.75Å; M92-I96 HydrophobicContact SD-CB 3.71Å; M92-I96 HydrophobicContact SD-CG2 3.27Å; M92-I96 WeakPolarHBondContact SD-CG2 3.18Å; M92-Q97 HydrophobicContact CB-CG 4.4Å; M92-Q97 HydrophobicContact CE-CB 4.05Å; M92-Q97 HydrophobicContact CE-CG 3.5Å; M92-Q97 VanDerWaalsContact CE-CG 3.5Å; M92-Q97 HydrophobicContact CG-CG 4.26Å; M92-Q97 PolarHBondContact O-NE2 3.33Å; M92-Q97 VanDerWaalsContact O-NE2 3.14Å; M92-F131 HydrophobicContact CE-CE1 4.2Å |
| 93 | P | 77.5 | Confident | 79.7 | Confident | 49 Ų | 49 | 34.4 Ų | 34.4 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | trans | -55.5 | 145 | 173.9 | -22.4 | 29.8 | 0 | 0 | 0 | 111.8 | K95 I96 Q97 | P93-K95 PolarHBondContact O-N 3.31Å; P93-K95 VanDerWaalsContact O-N 3.11Å; P93-I96 HydrophobicContact CB-CG1 4.36Å; P93-I96 HydrophobicContact CG-CD1 4.17Å; P93-I96 HydrophobicContact CG-CG1 4.4Å; P93-I96 PolarHBondContact O-N 2.94Å; P93-Q97 PolarHBondContact O-N 3.02Å | ||
| 94 | G | 80.7 | Confident | 79.4 | Confident | 18 Ų | 18 | 34.5 Ų | 34.5 | 19% | 0.186 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -53.4 | -35.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I96 Q97 S98 Y136 T139 | G94-I96 VanDerWaalsContact C-N 3.25Å; G94-I96 PolarHBondContact O-N 3.32Å; G94-Q97 WeakPolarHBondContact O-CB 3.49Å; G94-Q97 PolarHBondContact O-N 3.32Å; G94-Q97 VanDerWaalsContact O-N 3.09Å; G94-S98 PolarHBondContact O-N 3.11Å; G94-S98 VanDerWaalsContact O-N 3.11Å; G94-Y136 VanDerWaalsContact O-CD1 3.24Å; G94-Y136 WeakPolarHBondContact O-CD1 3.33Å; G94-T139 PolarHBondContact O-OG1 3.43Å |
| 95 | K | 80.2 | Confident | 79 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 28% | 0.283 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -30.9 | 175 | -66.7 | -167.7 | 170.1 | -164.7 | 0 | 114.3 | Y61 P93 S98 V99 Y136 D222 | Y61-K95 HydrophobicContact CD2-CB 3.72Å; Y61-K95 HydrophobicContact CE1-CD 4.17Å; Y61-K95 HydrophobicContact CE2-CB 3.58Å; Y61-K95 HydrophobicContact CE2-CD 4.3Å; Y61-K95 HydrophobicContact CE2-CG 4.49Å; Y61-K95 HydrophobicContact CG-CB 4.43Å; P93-K95 PolarHBondContact O-N 3.31Å; P93-K95 VanDerWaalsContact O-N 3.11Å; K95-S98 PolarHBondContact O-OG 2.74Å; K95-V99 VanDerWaalsContact O-CG2 3.25Å; K95-V99 WeakPolarHBondContact O-CG2 3.33Å; K95-Y136 HydrophobicContact CB-CE1 4.35Å; K95-Y136 HydrophobicContact CG-CE1 4.04Å; K95-Y136 HydrophobicContact CG-CE2 3.9Å; K95-D222 IonicContact NZ-OD1 2.74Å; K95-D222 PolarHBondContact NZ-OD1 3.16Å |
| 96 | I | 82 | Confident | 78.8 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.9 | -33.8 | 177.6 | -47.7 | -171.4 | 0 | 0 | 0 | 110 | L60 Y61 A64 M92 P93 G94 S98 V99 Y100 | L60-I96 HydrophobicContact CB-CD1 3.93Å; Y61-I96 HydrophobicContact CD2-CG1 4.12Å; Y61-I96 HydrophobicContact CG-CG1 4.44Å; A64-I96 HydrophobicContact CB-CG2 3.75Å; M92-I96 HydrophobicContact CE-CB 4.48Å; M92-I96 HydrophobicContact CE-CG2 4.29Å; M92-I96 HydrophobicContact CG-CB 3.5Å; M92-I96 VanDerWaalsContact CG-CB 3.5Å; M92-I96 HydrophobicContact CG-CD1 4.19Å; M92-I96 HydrophobicContact CG-CG1 4.24Å; M92-I96 HydrophobicContact CG-CG2 3.75Å; M92-I96 HydrophobicContact SD-CB 3.71Å; M92-I96 HydrophobicContact SD-CG2 3.27Å; M92-I96 WeakPolarHBondContact SD-CG2 3.18Å; P93-I96 HydrophobicContact CB-CG1 4.36Å; P93-I96 HydrophobicContact CG-CD1 4.17Å; P93-I96 HydrophobicContact CG-CG1 4.4Å; P93-I96 PolarHBondContact O-N 2.94Å; G94-I96 VanDerWaalsContact C-N 3.25Å; G94-I96 PolarHBondContact O-N 3.32Å; I96-S98 VanDerWaalsContact C-N 3.31Å; I96-S98 PolarHBondContact O-N 3.27Å; I96-V99 PolarHBondContact O-N 2.99Å; I96-Y100 PolarHBondContact O-N 3.06Å |
| 97 | Q | 85.7 | Confident | 78.6 | Confident | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.1 | -40.1 | 175.4 | -63.3 | 175.6 | -3.6 | 0 | 0 | 112.2 | T89 M92 P93 G94 V99 Y100 C101 F131 S134 T139 | T89-Q97 HydrophobicContact CG2-CG 4.24Å; T89-Q97 PolarHBondContact O-NE2 3.47Å; M92-Q97 HydrophobicContact CB-CG 4.4Å; M92-Q97 HydrophobicContact CE-CB 4.05Å; M92-Q97 HydrophobicContact CE-CG 3.5Å; M92-Q97 VanDerWaalsContact CE-CG 3.5Å; M92-Q97 HydrophobicContact CG-CG 4.26Å; M92-Q97 PolarHBondContact O-NE2 3.33Å; M92-Q97 VanDerWaalsContact O-NE2 3.14Å; P93-Q97 PolarHBondContact O-N 3.02Å; G94-Q97 WeakPolarHBondContact O-CB 3.49Å; G94-Q97 PolarHBondContact O-N 3.32Å; G94-Q97 VanDerWaalsContact O-N 3.09Å; Q97-V99 PolarHBondContact O-N 3.32Å; Q97-Y100 WeakPolarHBondContact O-CB 3.28Å; Q97-Y100 PolarHBondContact O-N 3.39Å; Q97-C101 PolarHBondContact O-N 3.06Å; Q97-C101 PolarHBondContact O-SG 3.35Å; Q97-C101 VanDerWaalsContact O-SG 3.41Å; Q97-F131 HydrophobicContact CB-CD1 3.76Å; Q97-F131 HydrophobicContact CB-CE1 3.78Å; Q97-F131 HydrophobicContact CG-CD1 3.99Å; Q97-F131 HydrophobicContact CG-CE1 3.85Å; Q97-S134 PolarHBondContact OE1-OG 3.46Å; Q97-T139 HydrophobicContact CB-CG2 3.66Å; Q97-T139 WeakPolarHBondContact CB-OG1 2.97Å |
| 98 | S | 82.6 | Confident | 78.3 | Confident | 8 Ų | 8 | 31.3 Ų | 31.3 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.9 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | G94 K95 I96 Y100 C101 Y102 T139 | G94-S98 PolarHBondContact O-N 3.11Å; G94-S98 VanDerWaalsContact O-N 3.11Å; K95-S98 PolarHBondContact O-OG 2.74Å; I96-S98 VanDerWaalsContact C-N 3.31Å; I96-S98 PolarHBondContact O-N 3.27Å; S98-Y100 VanDerWaalsContact C-N 3.31Å; S98-Y100 PolarHBondContact O-N 3.2Å; S98-C101 PolarHBondContact O-N 3.44Å; S98-Y102 PolarHBondContact O-N 3.49Å; S98-T139 PolarHBondContact N-OG1 2.69Å; S98-T139 VanDerWaalsContact N-OG1 3.07Å |
| 99 | V | 80.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.8 | -176.9 | 0 | 0 | 0 | 0 | 111 | Y61 A64 K95 I96 Q97 Y102 L103 L225 | Y61-V99 HydrophobicContact CE2-CG2 4.33Å; A64-V99 VanDerWaalsContact C-CG1 3.49Å; A64-V99 HydrophobicContact CB-CB 4.22Å; A64-V99 HydrophobicContact CB-CG1 3.96Å; A64-V99 HydrophobicContact CB-CG2 4.49Å; A64-V99 WeakPolarHBondContact O-CG1 3.42Å; K95-V99 VanDerWaalsContact O-CG2 3.25Å; K95-V99 WeakPolarHBondContact O-CG2 3.33Å; I96-V99 PolarHBondContact O-N 2.99Å; Q97-V99 PolarHBondContact O-N 3.32Å; V99-Y102 WeakPolarHBondContact O-CB 3.32Å; V99-Y102 PolarHBondContact O-N 3.43Å; V99-L103 HydrophobicContact CG1-CD1 4.39Å; V99-L103 PolarHBondContact O-N 3.04Å; V99-L225 HydrophobicContact CB-CD1 3.94Å; V99-L225 HydrophobicContact CG1-CD1 4.07Å; V99-L225 HydrophobicContact CG2-CD1 3.68Å |
| 100 | Y | 81.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 174.8 | 167.8 | -97.2 | 0 | 0 | 0 | 111.9 | I81 M84 L85 I96 Q97 S98 Y102 L103 L104 F131 | I81-Y100 HydrophobicContact CG2-CE2 3.85Å; M84-Y100 HydrophobicContact CB-CD2 3.4Å; M84-Y100 VanDerWaalsContact CB-CD2 3.4Å; M84-Y100 HydrophobicContact CB-CE2 3.95Å; M84-Y100 HydrophobicContact CB-CG 4.35Å; M84-Y100 HydrophobicContact CG-CD2 4.19Å; M84-Y100 HydrophobicContact SD-CD2 3.79Å; M84-Y100 HydrophobicContact SD-CG 4.41Å; L85-Y100 HydrophobicContact CD1-CE2 4.24Å; L85-Y100 WeakPolarHBondContact CD1-OH 3.26Å; L85-Y100 HydrophobicContact CD2-CE1 3.76Å; L85-Y100 HydrophobicContact CD2-CE2 3.76Å; L85-Y100 WeakPolarHBondContact CD2-OH 3.15Å; L85-Y100 HydrophobicContact CG-CE1 4.38Å; L85-Y100 HydrophobicContact CG-CE2 3.48Å; L85-Y100 VanDerWaalsContact CG-CE2 3.48Å; L85-Y100 WeakPolarHBondContact CG-OH 3.41Å; I96-Y100 PolarHBondContact O-N 3.06Å; Q97-Y100 WeakPolarHBondContact O-CB 3.28Å; Q97-Y100 PolarHBondContact O-N 3.39Å; S98-Y100 VanDerWaalsContact C-N 3.31Å; S98-Y100 PolarHBondContact O-N 3.2Å; Y100-Y102 PolarHBondContact O-N 2.9Å; Y100-L103 PolarHBondContact O-N 3.29Å; Y100-L104 HydrophobicContact CE1-CD2 3.75Å; Y100-L104 WeakPolarHBondContact O-CB 3.32Å; Y100-L104 PolarHBondContact O-N 2.96Å; Y100-L104 WeakPolarHBondContact OH-CD2 3.21Å; Y100-F131 AromaticContact CD1-CE1 3.71Å; Y100-F131 HydrophobicContact CD1-CE1 3.71Å; Y100-F131 AromaticContact CD1-CE2 3.74Å; Y100-F131 HydrophobicContact CD1-CE2 3.74Å; Y100-F131 AromaticContact CD1-CZ 3.17Å; Y100-F131 HydrophobicContact CD1-CZ 3.17Å; Y100-F131 HydrophobicContact CE1-CD2 4.48Å; Y100-F131 HydrophobicContact CE1-CE1 4.3Å; Y100-F131 AromaticContact CE1-CE2 3.46Å; Y100-F131 HydrophobicContact CE1-CE2 3.46Å; Y100-F131 VanDerWaalsContact CE1-CE2 3.46Å; Y100-F131 AromaticContact CE1-CZ 3.35Å; Y100-F131 HydrophobicContact CE1-CZ 3.35Å; Y100-F131 HydrophobicContact CG-CZ 4.15Å |
| 101 | C | 80.7 | Confident | 78.5 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 177.3 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | Q97 S98 M105 R142 V143 | Q97-C101 PolarHBondContact O-N 3.06Å; Q97-C101 PolarHBondContact O-SG 3.35Å; Q97-C101 VanDerWaalsContact O-SG 3.41Å; S98-C101 PolarHBondContact O-N 3.44Å; C101-M105 WeakPolarHBondContact O-CG 3.14Å; C101-M105 PolarHBondContact O-N 3.4Å; C101-M105 VanDerWaalsContact O-N 3.16Å; C101-R142 HydrophobicContact CB-CB 3.73Å; C101-V143 VanDerWaalsContact SG-CG2 3.54Å |
| 102 | Y | 80.5 | Confident | 78.7 | Confident | 35 Ų | 35 | 28.6 Ų | 28.6 | 14% | 0.137 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -52.3 | 175.6 | 174.6 | -102.2 | 0 | 0 | 0 | 112.8 | G68 S98 V99 Y100 L104 M105 L106 L225 I228 | G68-Y102 WeakPolarHBondContact O-CE1 3.35Å; S98-Y102 PolarHBondContact O-N 3.49Å; V99-Y102 WeakPolarHBondContact O-CB 3.32Å; V99-Y102 PolarHBondContact O-N 3.43Å; Y100-Y102 PolarHBondContact O-N 2.9Å; Y102-L104 PolarHBondContact O-N 3.13Å; Y102-M105 PolarHBondContact O-N 2.85Å; Y102-L106 PolarHBondContact O-N 3.3Å; Y102-L225 HydrophobicContact CD1-CD1 4.14Å; Y102-L225 HydrophobicContact CG-CD1 4.14Å; Y102-I228 HydrophobicContact CD2-CD1 4.35Å; Y102-I228 HydrophobicContact CD2-CG1 4.46Å; Y102-I228 HydrophobicContact CE2-CD1 4.19Å; Y102-I228 HydrophobicContact CE2-CG1 4Å |
| 103 | L | 79.6 | Confident | 79 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.2 | -38.8 | 179 | -85.7 | 173.1 | 0 | 0 | 0 | 112.5 | C67 L74 I81 M84 V99 Y100 L106 A107 | C67-L103 HydrophobicContact CB-CD1 4.28Å; L74-L103 HydrophobicContact CD1-CD2 3.99Å; I81-L103 HydrophobicContact CG1-CB 4.18Å; M84-L103 HydrophobicContact CE-CD1 3.54Å; M84-L103 HydrophobicContact SD-CD1 3.92Å; V99-L103 HydrophobicContact CG1-CD1 4.39Å; V99-L103 PolarHBondContact O-N 3.04Å; Y100-L103 PolarHBondContact O-N 3.29Å; L103-L106 PolarHBondContact O-N 2.87Å; L103-A107 WeakPolarHBondContact O-CB 3.49Å; L103-A107 PolarHBondContact O-N 3.2Å |
| 104 | L | 79.2 | Confident | 78.9 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -42.1 | 179.9 | -179.5 | 63.1 | 0 | 0 | 0 | 113.1 | I81 Y100 Y102 L106 A107 Y108 L120 L124 | I81-L104 HydrophobicContact CG2-CB 4.49Å; I81-L104 HydrophobicContact CG2-CD1 3.67Å; Y100-L104 HydrophobicContact CE1-CD2 3.75Å; Y100-L104 WeakPolarHBondContact O-CB 3.32Å; Y100-L104 PolarHBondContact O-N 2.96Å; Y100-L104 WeakPolarHBondContact OH-CD2 3.21Å; Y102-L104 PolarHBondContact O-N 3.13Å; L104-L106 VanDerWaalsContact C-N 3.29Å; L104-L106 PolarHBondContact O-N 2.96Å; L104-A107 PolarHBondContact O-N 3.3Å; L104-Y108 PolarHBondContact O-N 2.81Å; L104-L120 HydrophobicContact CD1-CD2 4.32Å; L104-L124 HydrophobicContact CD1-CD1 4.38Å; L104-L124 HydrophobicContact CD2-CB 4.24Å; L104-L124 HydrophobicContact CD2-CD1 2.98Å; L104-L124 HydrophobicContact CD2-CG 4.16Å; L104-L124 HydrophobicContact CG-CD1 3.59Å |
| 105 | M | 74.8 | Confident | 79.1 | Confident | 28 Ų | 28 | 40.2 Ų | 40.2 | 14% | 0.138 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 171.4 | -72.4 | -174.4 | -67.5 | 0 | 0 | 111.2 | C101 Y102 Y108 E109 R142 C146 I228 | C101-M105 WeakPolarHBondContact O-CG 3.14Å; C101-M105 PolarHBondContact O-N 3.4Å; C101-M105 VanDerWaalsContact O-N 3.16Å; Y102-M105 PolarHBondContact O-N 2.85Å; M105-Y108 WeakPolarHBondContact O-CB 3.44Å; M105-Y108 PolarHBondContact O-N 3.48Å; M105-E109 PolarHBondContact O-N 3.11Å; M105-R142 HydrophobicContact CE-CB 4.41Å; M105-C146 WeakPolarHBondContact CG-SG 3.45Å; M105-I228 HydrophobicContact CB-CD1 4.4Å; M105-I228 HydrophobicContact CE-CD1 4.16Å; M105-I228 HydrophobicContact SD-CD1 4.48Å |
| 106 | L | 76.4 | Confident | 79 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.5 | -41.5 | 179.1 | -176 | 66.6 | 0 | 0 | 0 | 112.4 | S71 Y102 L103 L104 Y108 E109 T110 | S71-L106 VanDerWaalsContact CB-CD2 3.45Å; S71-L106 WeakPolarHBondContact OG-CD2 2.97Å; Y102-L106 PolarHBondContact O-N 3.3Å; L103-L106 PolarHBondContact O-N 2.87Å; L104-L106 VanDerWaalsContact C-N 3.29Å; L104-L106 PolarHBondContact O-N 2.96Å; L106-Y108 VanDerWaalsContact C-N 3.28Å; L106-Y108 PolarHBondContact O-N 3.37Å; L106-E109 PolarHBondContact O-N 3.39Å; L106-T110 HydrophobicContact CD1-CG2 4.09Å; L106-T110 HydrophobicContact CG-CG2 4.36Å; L106-T110 WeakPolarHBondContact O-CB 3.45Å; L106-T110 WeakPolarHBondContact O-CG2 3.43Å; L106-T110 PolarHBondContact O-N 3.3Å; L106-T110 PolarHBondContact O-OG1 3.21Å |
| 107 | A | 77 | Confident | 78.8 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 5% | 0.05 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I81 L103 L104 T110 E111 L120 | I81-A107 HydrophobicContact CD1-CB 3.24Å; L103-A107 WeakPolarHBondContact O-CB 3.49Å; L103-A107 PolarHBondContact O-N 3.2Å; L104-A107 PolarHBondContact O-N 3.3Å; A107-T110 PolarHBondContact O-OG1 2.79Å; A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 PolarHBondContact O-N 3.36Å; A107-L120 HydrophobicContact CB-CD1 4.25Å |
| 108 | Y | 72.7 | Confident | 78.5 | Confident | 30 Ų | 30 | 46.6 Ų | 46.6 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.2 | -175.9 | -90.7 | 0 | 0 | 0 | 112.6 | L104 M105 L106 I117 L233 L238 | L104-Y108 PolarHBondContact O-N 2.81Å; M105-Y108 WeakPolarHBondContact O-CB 3.44Å; M105-Y108 PolarHBondContact O-N 3.48Å; L106-Y108 VanDerWaalsContact C-N 3.28Å; L106-Y108 PolarHBondContact O-N 3.37Å; Y108-I117 HydrophobicContact CD2-CG2 4.07Å; Y108-I117 HydrophobicContact CE2-CG2 3.54Å; Y108-L233 HydrophobicContact CD1-CD1 4.38Å; Y108-L233 HydrophobicContact CD1-CD2 4.06Å; Y108-L233 HydrophobicContact CE1-CD1 4.35Å; Y108-L233 HydrophobicContact CE1-CD2 4.23Å; Y108-L238 HydrophobicContact CE2-CD1 3.63Å; Y108-L238 WeakPolarHBondContact OH-CD1 2.9Å |
| 109 | E | 73.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 179.1 | -176.4 | 167.4 | -168 | 0 | 0 | 112.9 | M105 L106 L233 | M105-E109 PolarHBondContact O-N 3.11Å; L106-E109 PolarHBondContact O-N 3.39Å; E109-L233 HydrophobicContact CB-CD2 3.71Å; E109-L233 HydrophobicContact CG-CD2 3.74Å |
| 110 | T | 75.7 | Confident | 78.3 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 56% | 0.564 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -87.3 | -30.6 | -173.2 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | L106 A107 | L106-T110 HydrophobicContact CD1-CG2 4.09Å; L106-T110 HydrophobicContact CG-CG2 4.36Å; L106-T110 WeakPolarHBondContact O-CB 3.45Å; L106-T110 WeakPolarHBondContact O-CG2 3.43Å; L106-T110 PolarHBondContact O-N 3.3Å; L106-T110 PolarHBondContact O-OG1 3.21Å; A107-T110 PolarHBondContact O-OG1 2.79Å |
| 111 | E | 78.9 | Confident | 78.1 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 16% | 0.159 | 25% | 0.246 | C | C | . | . | trans | -64.5 | 142.6 | -179.3 | -172.8 | 53.1 | -97.3 | 0 | 0 | 110.5 | Q78 A107 D113 R116 I117 R236 | Q78-E111 PolarHBondContact NE2-OE2 2.96Å; A107-E111 WeakPolarHBondContact O-CB 3.45Å; A107-E111 PolarHBondContact O-N 3.36Å; E111-D113 PolarHBondContact OE1-N 3.21Å; E111-D113 VanDerWaalsContact OE1-N 3.12Å; E111-R116 HydrophobicContact CG-CB 3.76Å; E111-R116 WeakPolarHBondContact OE2-CD 3.08Å; E111-R116 IonicContact OE2-NH1 2.86Å; E111-R116 PolarHBondContact OE2-NH1 2.86Å; E111-I117 HydrophobicContact CB-CG1 3.94Å; E111-I117 HydrophobicContact CG-CG1 3.8Å; E111-R236 PolarHBondContact O-NH1 2.89Å; E111-R236 PolarHBondContact O-NH2 2.83Å | ||
| 112 | S | 75.9 | Confident | 78.1 | Confident | 84 Ų | 84 | 52.2 Ų | 52.2 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | trans | -118.9 | -15.3 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 113 | R236 | S112-R236 PolarHBondContact OG-NH2 3.1Š| ||
| 113 | D | 82.4 | Confident | 77.9 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | trans | -79.2 | 118.7 | 176 | -174.7 | -6.1 | 0 | 0 | 0 | 111 | E111 D115 R116 I117 | E111-D113 PolarHBondContact OE1-N 3.21Å; E111-D113 VanDerWaalsContact OE1-N 3.12Å; D113-D115 VanDerWaalsContact C-N 3.3Å; D113-D115 PolarHBondContact O-N 2.83Å; D113-D115 PolarHBondContact OD1-N 3.29Å; D113-D115 VanDerWaalsContact OD1-N 3.15Å; D113-R116 HydrophobicContact CB-CB 4.17Å; D113-R116 HydrophobicContact CB-CG 4.01Å; D113-R116 PolarHBondContact O-N 3.07Å; D113-R116 IonicContact OD2-NE 3.93Å; D113-R116 PolarHBondContact OD2-NE 3.04Å; D113-I117 VanDerWaalsContact O-CG1 3.26Å; D113-I117 WeakPolarHBondContact O-CG1 3.07Å; D113-I117 PolarHBondContact O-N 2.97Å | ||
| 114 | W | 77.3 | Confident | 77.7 | Confident | 132 Ų | 132 | 52.8 Ų | 52.8 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | -178.2 | -75.5 | 106.6 | 0 | 0 | 0 | 113.3 | R116 I117 Y118 R236 I237 | W114-R116 VanDerWaalsContact C-N 3.31Å; W114-R116 PolarHBondContact O-N 2.76Å; W114-I117 PolarHBondContact O-N 3.15Å; W114-Y118 VanDerWaalsContact O-CB 3.26Å; W114-Y118 WeakPolarHBondContact O-CB 3.36Å; W114-Y118 PolarHBondContact O-N 3.41Å; W114-R236 HydrophobicContact CH2-CB 3.78Å; W114-R236 HydrophobicContact CH2-CG 3.98Å; W114-R236 HydrophobicContact CZ2-CG 4.46Å; W114-R236 HydrophobicContact CZ3-CB 4.21Å; W114-I237 WeakPolarHBondContact CZ3-O 3.19Å |
| 115 | D | 83.1 | Confident | 77.7 | Confident | 131 Ų | 131 | 53.8 Ų | 53.8 | 70% | 0.701 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67 | -38 | -179.1 | -71.5 | -29.7 | 0 | 0 | 0 | 110.8 | D113 S119 | D113-D115 VanDerWaalsContact C-N 3.3Å; D113-D115 PolarHBondContact O-N 2.83Å; D113-D115 PolarHBondContact OD1-N 3.29Å; D113-D115 VanDerWaalsContact OD1-N 3.15Å; D115-S119 PolarHBondContact O-N 3.41Å |
| 116 | R | 79.7 | Confident | 78.1 | Confident | 118 Ų | 118 | 55.6 Ų | 55.6 | 45% | 0.445 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.1 | -40.4 | 175.7 | -63.6 | -178.5 | -174.2 | -160.5 | -7.8 | 112.7 | E111 D113 W114 Y118 S119 L120 | E111-R116 HydrophobicContact CG-CB 3.76Å; E111-R116 WeakPolarHBondContact OE2-CD 3.08Å; E111-R116 IonicContact OE2-NH1 2.86Å; E111-R116 PolarHBondContact OE2-NH1 2.86Å; D113-R116 HydrophobicContact CB-CB 4.17Å; D113-R116 HydrophobicContact CB-CG 4.01Å; D113-R116 PolarHBondContact O-N 3.07Å; D113-R116 IonicContact OD2-NE 3.93Å; D113-R116 PolarHBondContact OD2-NE 3.04Å; W114-R116 VanDerWaalsContact C-N 3.31Å; W114-R116 PolarHBondContact O-N 2.76Å; R116-Y118 PolarHBondContact O-N 3.35Å; R116-S119 WeakPolarHBondContact CA-OG 3.36Å; R116-S119 PolarHBondContact O-N 3.48Å; R116-S119 PolarHBondContact O-OG 3.03Å; R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.44Å |
| 117 | I | 78.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 173.7 | -68.8 | 166.1 | 0 | 0 | 0 | 109.6 | Y108 E111 D113 W114 L120 N121 L238 | Y108-I117 HydrophobicContact CD2-CG2 4.07Å; Y108-I117 HydrophobicContact CE2-CG2 3.54Å; E111-I117 HydrophobicContact CB-CG1 3.94Å; E111-I117 HydrophobicContact CG-CG1 3.8Å; D113-I117 VanDerWaalsContact O-CG1 3.26Å; D113-I117 WeakPolarHBondContact O-CG1 3.07Å; D113-I117 PolarHBondContact O-N 2.97Å; W114-I117 PolarHBondContact O-N 3.15Å; I117-L120 PolarHBondContact O-N 3.32Å; I117-N121 VanDerWaalsContact O-CB 3.28Å; I117-N121 WeakPolarHBondContact O-CB 3.48Å; I117-N121 PolarHBondContact O-N 2.96Å; I117-L238 HydrophobicContact CG2-CD1 4.1Å; I117-L238 HydrophobicContact CG2-CD2 4.35Å |
| 118 | Y | 78.3 | Confident | 78.3 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 40% | 0.404 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.9 | -177.2 | -95 | 0 | 0 | 0 | 112.5 | W114 R116 N121 N122 L238 Q240 | W114-Y118 VanDerWaalsContact O-CB 3.26Å; W114-Y118 WeakPolarHBondContact O-CB 3.36Å; W114-Y118 PolarHBondContact O-N 3.41Å; R116-Y118 PolarHBondContact O-N 3.35Å; Y118-N121 PolarHBondContact O-N 2.86Å; Y118-N122 WeakPolarHBondContact CD1-ND2 3.25Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.39Å; Y118-N122 PolarHBondContact O-N 3.3Å; Y118-N122 PolarHBondContact O-ND2 2.98Å; Y118-L238 HydrophobicContact CD2-CD2 4.49Å; Y118-Q240 HydrophobicContact CE2-CG 4.05Å; Y118-Q240 PolarHBondContact OH-NE2 3.37Å |
| 119 | S | 82.2 | Confident | 78.8 | Confident | 61 Ų | 61 | 57.1 Ų | 57.1 | 43% | 0.427 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 175 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | D115 R116 N121 N122 L123 | D115-S119 PolarHBondContact O-N 3.41Å; R116-S119 WeakPolarHBondContact CA-OG 3.36Å; R116-S119 PolarHBondContact O-N 3.48Å; R116-S119 PolarHBondContact O-OG 3.03Å; S119-N121 VanDerWaalsContact C-N 3.31Å; S119-N121 PolarHBondContact O-N 2.97Å; S119-N122 PolarHBondContact O-N 3.39Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.47Å; S119-L123 PolarHBondContact O-N 2.86Å |
| 120 | L | 77.1 | Confident | 79.3 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 174.1 | -78.6 | 174 | 0 | 0 | 0 | 111.9 | Q78 L104 A107 R116 I117 L123 L124 | Q78-L120 HydrophobicContact CG-CD1 4.26Å; Q78-L120 HydrophobicContact CG-CD2 4.34Å; L104-L120 HydrophobicContact CD1-CD2 4.32Å; A107-L120 HydrophobicContact CB-CD1 4.25Å; R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 WeakPolarHBondContact O-CG 3.33Å; R116-L120 PolarHBondContact O-N 3.44Å; I117-L120 PolarHBondContact O-N 3.32Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.19Å; L120-L124 WeakPolarHBondContact O-CB 3.19Å; L120-L124 PolarHBondContact O-N 3.29Å |
| 121 | N | 76.6 | Confident | 79.7 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -48.4 | 178.4 | -176.2 | 31.5 | 0 | 0 | 0 | 112 | I117 Y118 S119 L123 L124 L125 Y150 L238 | I117-N121 VanDerWaalsContact O-CB 3.28Å; I117-N121 WeakPolarHBondContact O-CB 3.48Å; I117-N121 PolarHBondContact O-N 2.96Å; Y118-N121 PolarHBondContact O-N 2.86Å; S119-N121 VanDerWaalsContact C-N 3.31Å; S119-N121 PolarHBondContact O-N 2.97Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3Å; N121-L124 WeakPolarHBondContact O-CB 3.45Å; N121-L124 PolarHBondContact O-N 2.8Å; N121-L125 WeakPolarHBondContact O-CB 3.4Å; N121-L125 WeakPolarHBondContact O-CG 3.23Å; N121-L125 PolarHBondContact O-N 3.5Å; N121-Y150 WeakPolarHBondContact OD1-CE1 3.37Å; N121-Y150 PolarHBondContact OD1-OH 3.13Å; N121-L238 HydrophobicContact CB-CD1 4.01Å |
| 122 | N | 81.4 | Confident | 79.9 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 31% | 0.31 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.5 | -81.2 | -68 | 0 | 0 | 0 | 111.6 | Y118 S119 S126 Q240 | Y118-N122 WeakPolarHBondContact CD1-ND2 3.25Å; Y118-N122 WeakPolarHBondContact CE1-ND2 3.39Å; Y118-N122 PolarHBondContact O-N 3.3Å; Y118-N122 PolarHBondContact O-ND2 2.98Å; S119-N122 PolarHBondContact O-N 3.39Å; N122-S126 WeakPolarHBondContact O-CB 3.44Å; N122-S126 PolarHBondContact O-N 2.85Å; N122-S126 PolarHBondContact O-OG 3.44Å; N122-Q240 PolarHBondContact ND2-OE1 3.45Å; N122-Q240 PolarHBondContact OD1-OE1 2.88Å |
| 123 | L | 77.2 | Confident | 80.2 | Confident | 43 Ų | 43 | 55.1 Ų | 55.1 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.9 | -173.6 | 61.1 | 0 | 0 | 0 | 111.3 | E82 L85 S119 L120 N121 S126 K127 | E82-L123 HydrophobicContact CG-CD2 4.09Å; L85-L123 HydrophobicContact CD1-CD1 3.58Å; L85-L123 HydrophobicContact CD1-CD2 3.34Å; L85-L123 HydrophobicContact CD1-CG 3.26Å; S119-L123 VanDerWaalsContact O-CB 3.3Å; S119-L123 WeakPolarHBondContact O-CB 3.47Å; S119-L123 PolarHBondContact O-N 2.86Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 3.19Å; N121-L123 VanDerWaalsContact C-N 3.27Å; N121-L123 PolarHBondContact O-N 3Å; L123-S126 PolarHBondContact O-N 3.43Å; L123-S126 PolarHBondContact O-OG 3.4Å; L123-K127 HydrophobicContact CD1-CG 4.44Å; L123-K127 WeakPolarHBondContact O-CB 3.3Å; L123-K127 VanDerWaalsContact O-CG 3.23Å; L123-K127 WeakPolarHBondContact O-CG 3.37Å; L123-K127 PolarHBondContact O-N 2.91Å |
| 124 | L | 75.5 | Confident | 80.4 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.6 | -55.5 | 175 | 175.1 | 77.2 | 0 | 0 | 0 | 111.2 | L104 L120 N121 S126 K127 L128 Y150 | L104-L124 HydrophobicContact CD1-CD1 4.38Å; L104-L124 HydrophobicContact CD2-CB 4.24Å; L104-L124 HydrophobicContact CD2-CD1 2.98Å; L104-L124 HydrophobicContact CD2-CG 4.16Å; L104-L124 HydrophobicContact CG-CD1 3.59Å; L120-L124 WeakPolarHBondContact O-CB 3.19Å; L120-L124 PolarHBondContact O-N 3.29Å; N121-L124 WeakPolarHBondContact O-CB 3.45Å; N121-L124 PolarHBondContact O-N 2.8Å; L124-S126 PolarHBondContact O-N 3.38Å; L124-K127 PolarHBondContact O-N 3.37Å; L124-L128 HydrophobicContact CD1-CD1 3.51Å; L124-L128 HydrophobicContact CD1-CD2 3.53Å; L124-L128 HydrophobicContact CD1-CG 3.34Å; L124-L128 HydrophobicContact CD2-CD1 4.06Å; L124-L128 HydrophobicContact CG-CD1 3.51Å; L124-L128 HydrophobicContact CG-CD2 4.39Å; L124-L128 HydrophobicContact CG-CG 3.67Å; L124-L128 WeakPolarHBondContact O-CB 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3Å; L124-Y150 HydrophobicContact CD2-CD2 4.37Å; L124-Y150 HydrophobicContact CD2-CE2 3.24Å; L124-Y150 VanDerWaalsContact CD2-CZ 3.5Å; L124-Y150 WeakPolarHBondContact CD2-OH 3.12Å; L124-Y150 HydrophobicContact CG-CE2 4.43Å |
| 125 | L | 78.5 | Confident | 80.6 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -33.7 | -178 | -70.4 | 173.1 | 0 | 0 | 0 | 112.3 | N121 K127 P129 Y150 V242 | N121-L125 WeakPolarHBondContact O-CB 3.4Å; N121-L125 WeakPolarHBondContact O-CG 3.23Å; N121-L125 PolarHBondContact O-N 3.5Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.86Å; L125-P129 WeakPolarHBondContact O-CD 3.43Å; L125-Y150 HydrophobicContact CD2-CD1 4.4Å; L125-Y150 HydrophobicContact CD2-CD2 4.49Å; L125-Y150 HydrophobicContact CD2-CG 4.37Å; L125-V242 HydrophobicContact CD1-CG2 4.23Å; L125-V242 HydrophobicContact CD2-CG1 4.29Å; L125-V242 HydrophobicContact CD2-CG2 4.19Å |
| 126 | S | 82.4 | Confident | 80.6 | Confident | 66 Ų | 66 | 51.2 Ų | 51.2 | 46% | 0.462 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.7 | -23.5 | 176.3 | 76.2 | 0 | 0 | 0 | 0 | 113.8 | N122 L123 L124 | N122-S126 WeakPolarHBondContact O-CB 3.44Å; N122-S126 PolarHBondContact O-N 2.85Å; N122-S126 PolarHBondContact O-OG 3.44Å; L123-S126 PolarHBondContact O-N 3.43Å; L123-S126 PolarHBondContact O-OG 3.4Å; L124-S126 PolarHBondContact O-N 3.38Å |
| 127 | K | 78.8 | Confident | 80.7 | Confident | 57 Ų | 57 | 50.8 Ų | 50.8 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -109.8 | -34.8 | -171.3 | -63.3 | -68.3 | -175.7 | 172.4 | 0 | 113.7 | L85 L123 L124 L125 P129 Q130 F131 | L85-K127 HydrophobicContact CD1-CG 4.19Å; L85-K127 HydrophobicContact CD2-CB 3.65Å; L85-K127 HydrophobicContact CD2-CD 3.91Å; L85-K127 HydrophobicContact CD2-CG 3.48Å; L85-K127 VanDerWaalsContact CD2-CG 3.48Å; L85-K127 HydrophobicContact CG-CG 4.38Å; L123-K127 HydrophobicContact CD1-CG 4.44Å; L123-K127 WeakPolarHBondContact O-CB 3.3Å; L123-K127 VanDerWaalsContact O-CG 3.23Å; L123-K127 WeakPolarHBondContact O-CG 3.37Å; L123-K127 PolarHBondContact O-N 2.91Å; L124-K127 PolarHBondContact O-N 3.37Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.86Å; K127-P129 VanDerWaalsContact C-N 3.3Å; K127-Q130 VanDerWaalsContact O-CB 3.25Å; K127-Q130 WeakPolarHBondContact O-CB 3.19Å; K127-Q130 WeakPolarHBondContact O-CG 3.43Å; K127-Q130 PolarHBondContact O-N 3.48Å; K127-F131 HydrophobicContact CB-CE2 4.34Å; K127-F131 VanDerWaalsContact O-CD2 3.31Å; K127-F131 WeakPolarHBondContact O-CD2 3.25Å |
| 128 | L | 79.7 | Confident | 80.7 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -49 | -42.1 | 178.9 | -81.1 | -175.5 | 0 | 0 | 0 | 114.1 | L124 Q130 F131 V143 C146 F147 | L124-L128 HydrophobicContact CD1-CD1 3.51Å; L124-L128 HydrophobicContact CD1-CD2 3.53Å; L124-L128 HydrophobicContact CD1-CG 3.34Å; L124-L128 HydrophobicContact CD2-CD1 4.06Å; L124-L128 HydrophobicContact CG-CD1 3.51Å; L124-L128 HydrophobicContact CG-CD2 4.39Å; L124-L128 HydrophobicContact CG-CG 3.67Å; L124-L128 WeakPolarHBondContact O-CB 3.25Å; L124-L128 WeakPolarHBondContact O-CG 3.3Å; L124-L128 PolarHBondContact O-N 3Å; L128-Q130 PolarHBondContact O-N 3.34Å; L128-Q130 VanDerWaalsContact O-N 3.07Å; L128-F131 PolarHBondContact O-N 2.88Å; L128-V143 HydrophobicContact CD2-CG1 4.22Å; L128-V143 HydrophobicContact CD2-CG2 4.25Å; L128-C146 HydrophobicContact CD1-CB 3.69Å; L128-C146 HydrophobicContact CD2-CB 4.42Å; L128-F147 HydrophobicContact CB-CE2 3.87Å; L128-F147 HydrophobicContact CB-CZ 3.81Å; L128-F147 HydrophobicContact CD1-CE2 4.32Å; L128-F147 HydrophobicContact CD1-CZ 4.4Å |
| 129 | P | 83.2 | Confident | 81 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -57.3 | -28 | 178.6 | -26.4 | 35.4 | 0 | 0 | 0 | 113.4 | L125 K127 F131 L132 F147 V245 | L125-P129 WeakPolarHBondContact O-CD 3.43Å; K127-P129 VanDerWaalsContact C-N 3.3Å; P129-F131 VanDerWaalsContact C-N 3.25Å; P129-F131 PolarHBondContact O-N 3.33Å; P129-L132 PolarHBondContact O-N 3.26Å; P129-F147 HydrophobicContact CG-CZ 4.29Å; P129-V245 HydrophobicContact CB-CG2 4.31Å; P129-V245 HydrophobicContact CG-CG2 4.04Å |
| 130 | Q | 83.5 | Confident | 81.1 | Confident | 84 Ų | 84 | 47.4 Ų | 47.4 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -72.9 | -18.8 | 179.2 | -52.6 | 179.1 | 19.5 | 0 | 0 | 112.8 | T89 K127 L128 S133 | T89-Q130 PolarHBondContact OG1-OE1 3.2Å; K127-Q130 VanDerWaalsContact O-CB 3.25Å; K127-Q130 WeakPolarHBondContact O-CB 3.19Å; K127-Q130 WeakPolarHBondContact O-CG 3.43Å; K127-Q130 PolarHBondContact O-N 3.48Å; L128-Q130 PolarHBondContact O-N 3.34Å; L128-Q130 VanDerWaalsContact O-N 3.07Å; Q130-S133 PolarHBondContact O-OG 2.99Å |
| 131 | F | 83.8 | Confident | 81.1 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -92.9 | -14.8 | 178.7 | -64.4 | -85.3 | 0 | 0 | 0 | 112.8 | T89 M92 Q97 Y100 K127 L128 P129 S133 S134 T139 V143 | T89-F131 HydrophobicContact CG2-CD1 3.57Å; T89-F131 HydrophobicContact CG2-CE1 3.57Å; T89-F131 HydrophobicContact CG2-CG 4.14Å; T89-F131 HydrophobicContact CG2-CZ 4.11Å; M92-F131 HydrophobicContact CE-CE1 4.2Å; Q97-F131 HydrophobicContact CB-CD1 3.76Å; Q97-F131 HydrophobicContact CB-CE1 3.78Å; Q97-F131 HydrophobicContact CG-CD1 3.99Å; Q97-F131 HydrophobicContact CG-CE1 3.85Å; Y100-F131 AromaticContact CD1-CE1 3.71Å; Y100-F131 HydrophobicContact CD1-CE1 3.71Å; Y100-F131 AromaticContact CD1-CE2 3.74Å; Y100-F131 HydrophobicContact CD1-CE2 3.74Å; Y100-F131 AromaticContact CD1-CZ 3.17Å; Y100-F131 HydrophobicContact CD1-CZ 3.17Å; Y100-F131 HydrophobicContact CE1-CD2 4.48Å; Y100-F131 HydrophobicContact CE1-CE1 4.3Å; Y100-F131 AromaticContact CE1-CE2 3.46Å; Y100-F131 HydrophobicContact CE1-CE2 3.46Å; Y100-F131 VanDerWaalsContact CE1-CE2 3.46Å; Y100-F131 AromaticContact CE1-CZ 3.35Å; Y100-F131 HydrophobicContact CE1-CZ 3.35Å; Y100-F131 HydrophobicContact CG-CZ 4.15Å; K127-F131 HydrophobicContact CB-CE2 4.34Å; K127-F131 VanDerWaalsContact O-CD2 3.31Å; K127-F131 WeakPolarHBondContact O-CD2 3.25Å; L128-F131 PolarHBondContact O-N 2.88Å; P129-F131 VanDerWaalsContact C-N 3.25Å; P129-F131 PolarHBondContact O-N 3.33Å; F131-S133 PolarHBondContact O-N 3.5Å; F131-S134 WeakPolarHBondContact O-CB 3.48Å; F131-S134 PolarHBondContact O-N 3.31Å; F131-T139 HydrophobicContact CB-CG2 4.05Å; F131-T139 HydrophobicContact CD1-CG2 4.03Å; F131-V143 HydrophobicContact CB-CB 4.46Å; F131-V143 HydrophobicContact CB-CG1 4.41Å; F131-V143 HydrophobicContact CB-CG2 3.31Å; F131-V143 HydrophobicContact CG-CG2 4.22Å |
| 132 | L | 82.8 | Confident | 81.3 | Confident | 50 Ų | 50 | 52.6 Ų | 52.6 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.1 | 174 | -72.1 | 171 | 0 | 0 | 0 | 112.3 | P129 S134 V143 I144 F147 M248 | P129-L132 PolarHBondContact O-N 3.26Å; L132-S134 PolarHBondContact O-N 3.06Å; L132-V143 HydrophobicContact CD2-CG1 3.59Å; L132-V143 HydrophobicContact CG-CG1 3.84Å; L132-I144 HydrophobicContact CD2-CG1 4.4Å; L132-F147 HydrophobicContact CD1-CE2 3.78Å; L132-F147 HydrophobicContact CD1-CZ 4.16Å; L132-F147 HydrophobicContact CD2-CD2 4.22Å; L132-F147 HydrophobicContact CD2-CE2 4Å; L132-F147 HydrophobicContact CG-CE2 3.94Å; L132-M248 HydrophobicContact CD1-CG 4.05Å; L132-M248 HydrophobicContact CD1-SD 3.81Å |
| 133 | S | 83.2 | Confident | 81.3 | Confident | 98 Ų | 98 | 49.9 Ų | 49.9 | 69% | 0.685 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 9 | 175.9 | 65.7 | 0 | 0 | 0 | 0 | 113.5 | Q130 F131 | Q130-S133 PolarHBondContact O-OG 2.99Å; F131-S133 PolarHBondContact O-N 3.5Å |
| 134 | S | 85.2 | Confident | 81.5 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | trans | -73.9 | 131.7 | 176 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | Q97 F131 L132 Y136 Q140 | Q97-S134 PolarHBondContact OE1-OG 3.46Å; F131-S134 WeakPolarHBondContact O-CB 3.48Å; F131-S134 PolarHBondContact O-N 3.31Å; L132-S134 PolarHBondContact O-N 3.06Å; S134-Y136 PolarHBondContact O-N 2.77Å; S134-Y136 PolarHBondContact OG-N 3.01Å; S134-Q140 VanDerWaalsContact O-CD 3.24Å; S134-Q140 WeakPolarHBondContact O-CG 3.11Å; S134-Q140 PolarHBondContact O-NE2 2.96Å | ||
| 135 | D | 82.8 | Confident | 81.5 | Confident | 161 Ų | 161 | 53.4 Ų | 53.4 | 86% | 0.861 | 28% | 0.279 | S | S | * | . | trans | -78.6 | -2.7 | 173.2 | -58.6 | -39.7 | 0 | 0 | 0 | 112.8 | L137 | D135-L137 PolarHBondContact O-N 3.26Š| ||
| 136 | Y | 83 | Confident | 81.3 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 31% | 0.306 | 28% | 0.275 | S | S | . | . | trans | -88.1 | 113.2 | -179.4 | -169.4 | -118.1 | 0 | 0 | 0 | 110.6 | G94 K95 S134 E138 T139 Q140 | G94-Y136 VanDerWaalsContact O-CD1 3.24Å; G94-Y136 WeakPolarHBondContact O-CD1 3.33Å; K95-Y136 HydrophobicContact CB-CE1 4.35Å; K95-Y136 HydrophobicContact CG-CE1 4.04Å; K95-Y136 HydrophobicContact CG-CE2 3.9Å; S134-Y136 PolarHBondContact O-N 2.77Å; S134-Y136 PolarHBondContact OG-N 3.01Å; Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 HydrophobicContact CD1-CB 3.87Å; Y136-E138 HydrophobicContact CE1-CB 3.45Å; Y136-E138 VanDerWaalsContact CE1-CB 3.45Å; Y136-E138 HydrophobicContact CE1-CG 4.29Å; Y136-E138 PolarHBondContact O-N 3.33Å; Y136-T139 WeakPolarHBondContact CD1-OG1 2.94Å; Y136-T139 WeakPolarHBondContact O-CA 3.33Å; Y136-T139 WeakPolarHBondContact O-CB 3.07Å; Y136-T139 PolarHBondContact O-N 3.47Å; Y136-Q140 PolarHBondContact O-N 2.95Å; Y136-Q140 VanDerWaalsContact O-N 3.08Å | ||
| 137 | L | 81.3 | Confident | 81 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -51.2 | -47.1 | -173.5 | -177 | 64.8 | 0 | 0 | 0 | 112.9 | D135 T139 Q140 E141 | D135-L137 PolarHBondContact O-N 3.26Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.18Å; L137-Q140 WeakPolarHBondContact O-CB 3.17Å; L137-Q140 PolarHBondContact O-N 2.78Å; L137-Q140 VanDerWaalsContact O-N 3.11Å; L137-E141 HydrophobicContact CD1-CG 4.28Å; L137-E141 HydrophobicContact CG-CG 4.33Å; L137-E141 WeakPolarHBondContact O-CG 3.5Å; L137-E141 PolarHBondContact O-N 3.11Å |
| 138 | E | 78.8 | Confident | 80.7 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -37.8 | 179.3 | -172.5 | 74 | -154.7 | 0 | 0 | 111.7 | Y136 R142 P224 | Y136-E138 VanDerWaalsContact C-N 3.31Å; Y136-E138 HydrophobicContact CD1-CB 3.87Å; Y136-E138 HydrophobicContact CE1-CB 3.45Å; Y136-E138 VanDerWaalsContact CE1-CB 3.45Å; Y136-E138 HydrophobicContact CE1-CG 4.29Å; Y136-E138 PolarHBondContact O-N 3.33Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 WeakPolarHBondContact O-CG 3.45Å; E138-R142 PolarHBondContact O-N 2.87Å; E138-R142 IonicContact OE1-CZ 3.42Å; E138-R142 IonicContact OE1-NE 3.33Å; E138-R142 PolarHBondContact OE1-NE 2.94Å; E138-R142 IonicContact OE1-NH2 3.45Å; E138-R142 PolarHBondContact OE1-NH2 3.17Å; E138-P224 WeakPolarHBondContact OE2-CB 3.45Å |
| 139 | T | 84.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.4 | -59.6 | 0 | 0 | 0 | 0 | 110.4 | G94 Q97 S98 F131 Y136 L137 E141 R142 V143 | G94-T139 PolarHBondContact O-OG1 3.43Å; Q97-T139 HydrophobicContact CB-CG2 3.66Å; Q97-T139 WeakPolarHBondContact CB-OG1 2.97Å; S98-T139 PolarHBondContact N-OG1 2.69Å; S98-T139 VanDerWaalsContact N-OG1 3.07Å; F131-T139 HydrophobicContact CB-CG2 4.05Å; F131-T139 HydrophobicContact CD1-CG2 4.03Å; Y136-T139 WeakPolarHBondContact CD1-OG1 2.94Å; Y136-T139 WeakPolarHBondContact O-CA 3.33Å; Y136-T139 WeakPolarHBondContact O-CB 3.07Å; Y136-T139 PolarHBondContact O-N 3.47Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.18Å; T139-E141 PolarHBondContact O-N 3.07Å; T139-R142 PolarHBondContact O-N 3.41Å; T139-V143 HydrophobicContact CG2-CG2 4.16Å; T139-V143 WeakPolarHBondContact O-CB 3.36Å; T139-V143 WeakPolarHBondContact O-CG2 3.34Å; T139-V143 PolarHBondContact O-N 2.74Å |
| 140 | Q | 82.9 | Confident | 79.4 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 178.4 | -67 | -173.4 | -15.5 | 0 | 0 | 111.2 | S134 Y136 L137 R142 V143 I144 | S134-Q140 VanDerWaalsContact O-CD 3.24Å; S134-Q140 WeakPolarHBondContact O-CG 3.11Å; S134-Q140 PolarHBondContact O-NE2 2.96Å; Y136-Q140 PolarHBondContact O-N 2.95Å; Y136-Q140 VanDerWaalsContact O-N 3.08Å; L137-Q140 WeakPolarHBondContact O-CB 3.17Å; L137-Q140 PolarHBondContact O-N 2.78Å; L137-Q140 VanDerWaalsContact O-N 3.11Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.07Å; Q140-V143 PolarHBondContact O-N 3.23Å; Q140-I144 HydrophobicContact CB-CD1 4.45Å; Q140-I144 WeakPolarHBondContact O-CB 3.45Å; Q140-I144 WeakPolarHBondContact O-CD1 3.25Å; Q140-I144 WeakPolarHBondContact O-CG1 3.34Å; Q140-I144 PolarHBondContact O-N 2.93Å |
| 141 | E | 77.5 | Confident | 78.7 | Confident | 102 Ų | 102 | 51.7 Ų | 51.7 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.2 | -44.3 | 178.8 | -73 | 179.4 | 170.2 | 0 | 0 | 111.6 | L137 T139 Q145 | L137-E141 HydrophobicContact CD1-CG 4.28Å; L137-E141 HydrophobicContact CG-CG 4.33Å; L137-E141 WeakPolarHBondContact O-CG 3.5Å; L137-E141 PolarHBondContact O-N 3.11Å; T139-E141 PolarHBondContact O-N 3.07Å; E141-Q145 VanDerWaalsContact O-CB 3.24Å; E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.44Å |
| 142 | R | 80.1 | Confident | 77.7 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 7% | 0.068 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 178.8 | -63.7 | -73.9 | 170.9 | 166.3 | 4.4 | 112.4 | C101 M105 E138 T139 Q140 Q145 C146 L225 G226 | C101-R142 HydrophobicContact CB-CB 3.73Å; M105-R142 HydrophobicContact CE-CB 4.41Å; E138-R142 WeakPolarHBondContact O-CB 3.46Å; E138-R142 WeakPolarHBondContact O-CG 3.45Å; E138-R142 PolarHBondContact O-N 2.87Å; E138-R142 IonicContact OE1-CZ 3.42Å; E138-R142 IonicContact OE1-NE 3.33Å; E138-R142 PolarHBondContact OE1-NE 2.94Å; E138-R142 IonicContact OE1-NH2 3.45Å; E138-R142 PolarHBondContact OE1-NH2 3.17Å; T139-R142 PolarHBondContact O-N 3.41Å; Q140-R142 VanDerWaalsContact C-N 3.33Å; Q140-R142 PolarHBondContact O-N 3.07Å; R142-Q145 PolarHBondContact O-N 3.34Å; R142-C146 PolarHBondContact O-N 3.26Å; R142-C146 PolarHBondContact O-SG 2.95Å; R142-L225 PolarHBondContact NH2-O 3.2Å; R142-G226 PolarHBondContact NH1-O 2.96Å; R142-G226 PolarHBondContact NH2-O 3.44Å |
| 143 | V | 82.8 | Confident | 76.8 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -45.2 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111 | C101 L128 F131 L132 T139 Q140 Q145 C146 F147 | C101-V143 VanDerWaalsContact SG-CG2 3.54Å; L128-V143 HydrophobicContact CD2-CG1 4.22Å; L128-V143 HydrophobicContact CD2-CG2 4.25Å; F131-V143 HydrophobicContact CB-CB 4.46Å; F131-V143 HydrophobicContact CB-CG1 4.41Å; F131-V143 HydrophobicContact CB-CG2 3.31Å; F131-V143 HydrophobicContact CG-CG2 4.22Å; L132-V143 HydrophobicContact CD2-CG1 3.59Å; L132-V143 HydrophobicContact CG-CG1 3.84Å; T139-V143 HydrophobicContact CG2-CG2 4.16Å; T139-V143 WeakPolarHBondContact O-CB 3.36Å; T139-V143 WeakPolarHBondContact O-CG2 3.34Å; T139-V143 PolarHBondContact O-N 2.74Å; Q140-V143 PolarHBondContact O-N 3.23Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.49Å; V143-C146 WeakPolarHBondContact O-CB 3.23Å; V143-C146 PolarHBondContact O-N 3.46Å; V143-F147 HydrophobicContact CG1-CD2 3.83Å; V143-F147 HydrophobicContact CG1-CE2 3.62Å; V143-F147 VanDerWaalsContact O-CD2 3.25Å; V143-F147 WeakPolarHBondContact O-CD2 3.21Å; V143-F147 PolarHBondContact O-N 3.08Å |
| 144 | I | 80.5 | Confident | 75.9 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 21% | 0.21 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 176.5 | -69 | 165.3 | 0 | 0 | 0 | 109.9 | L132 Q140 C146 F147 I148 | L132-I144 HydrophobicContact CD2-CG1 4.4Å; Q140-I144 HydrophobicContact CB-CD1 4.45Å; Q140-I144 WeakPolarHBondContact O-CB 3.45Å; Q140-I144 WeakPolarHBondContact O-CD1 3.25Å; Q140-I144 WeakPolarHBondContact O-CG1 3.34Å; Q140-I144 PolarHBondContact O-N 2.93Å; I144-C146 VanDerWaalsContact C-N 3.28Å; I144-C146 PolarHBondContact O-N 3.47Å; I144-F147 PolarHBondContact O-N 3.25Å; I144-F147 VanDerWaalsContact O-N 3.13Å; I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.18Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.16Å |
| 145 | Q | 76.2 | Confident | 74.9 | Confident | 85 Ų | 85 | 55 Ų | 55 | 40% | 0.397 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.8 | -41.1 | 175.7 | -173.8 | 63.3 | 34.3 | 0 | 0 | 111.7 | E141 R142 V143 W149 | E141-Q145 VanDerWaalsContact O-CB 3.24Å; E141-Q145 WeakPolarHBondContact O-CB 3.33Å; E141-Q145 PolarHBondContact O-N 3.44Å; R142-Q145 PolarHBondContact O-N 3.34Å; V143-Q145 VanDerWaalsContact C-N 3.32Å; V143-Q145 PolarHBondContact O-N 3.49Å; Q145-W149 WeakPolarHBondContact O-CB 3.39Å; Q145-W149 PolarHBondContact O-N 2.69Å |
| 146 | C | 75 | Confident | 74 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -52 | 172.5 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | M105 L128 R142 V143 I144 I148 W149 Y150 | M105-C146 WeakPolarHBondContact CG-SG 3.45Å; L128-C146 HydrophobicContact CD1-CB 3.69Å; L128-C146 HydrophobicContact CD2-CB 4.42Å; R142-C146 PolarHBondContact O-N 3.26Å; R142-C146 PolarHBondContact O-SG 2.95Å; V143-C146 WeakPolarHBondContact O-CB 3.23Å; V143-C146 PolarHBondContact O-N 3.46Å; I144-C146 VanDerWaalsContact C-N 3.28Å; I144-C146 PolarHBondContact O-N 3.47Å; C146-I148 VanDerWaalsContact C-N 3.35Å; C146-I148 PolarHBondContact O-N 3.14Å; C146-W149 WeakPolarHBondContact O-CA 3.46Å; C146-W149 VanDerWaalsContact O-CB 3.22Å; C146-W149 WeakPolarHBondContact O-CB 3.11Å; C146-W149 PolarHBondContact O-N 3.3Å; C146-W149 VanDerWaalsContact O-N 3.07Å; C146-Y150 WeakPolarHBondContact O-CD2 3.45Å; C146-Y150 PolarHBondContact O-N 2.87Å |
| 147 | F | 75 | Confident | 72.9 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -44.5 | -179.3 | -82.4 | -69.8 | 0 | 0 | 0 | 112.8 | L128 P129 L132 V143 I144 W149 Y150 E151 M248 | L128-F147 HydrophobicContact CB-CE2 3.87Å; L128-F147 HydrophobicContact CB-CZ 3.81Å; L128-F147 HydrophobicContact CD1-CE2 4.32Å; L128-F147 HydrophobicContact CD1-CZ 4.4Å; P129-F147 HydrophobicContact CG-CZ 4.29Å; L132-F147 HydrophobicContact CD1-CE2 3.78Å; L132-F147 HydrophobicContact CD1-CZ 4.16Å; L132-F147 HydrophobicContact CD2-CD2 4.22Å; L132-F147 HydrophobicContact CD2-CE2 4Å; L132-F147 HydrophobicContact CG-CE2 3.94Å; V143-F147 HydrophobicContact CG1-CD2 3.83Å; V143-F147 HydrophobicContact CG1-CE2 3.62Å; V143-F147 VanDerWaalsContact O-CD2 3.25Å; V143-F147 WeakPolarHBondContact O-CD2 3.21Å; V143-F147 PolarHBondContact O-N 3.08Å; I144-F147 PolarHBondContact O-N 3.25Å; I144-F147 VanDerWaalsContact O-N 3.13Å; F147-W149 VanDerWaalsContact C-N 3.26Å; F147-W149 PolarHBondContact O-N 2.86Å; F147-Y150 PolarHBondContact O-N 3.15Å; F147-E151 WeakPolarHBondContact O-CB 3.18Å; F147-E151 PolarHBondContact O-N 3.43Å; F147-M248 HydrophobicContact CB-CE 4.4Å; F147-M248 HydrophobicContact CD1-CE 4.33Å; F147-M248 HydrophobicContact CD1-SD 4.43Å; F147-M248 HydrophobicContact CD2-CE 4.26Å; F147-M248 HydrophobicContact CE1-SD 4.29Å; F147-M248 HydrophobicContact CG-CE 4.09Å; F147-M248 HydrophobicContact CZ-SD 4.34Å |
| 148 | I | 72 | Confident | 72.1 | Confident | 41 Ų | 41 | 51.8 Ų | 51.8 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -42 | 175.8 | -69 | 170.9 | 0 | 0 | 0 | 110.2 | I144 C146 E151 L152 L251 | I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.18Å; I144-I148 WeakPolarHBondContact O-CG1 3.49Å; I144-I148 PolarHBondContact O-N 3.16Å; C146-I148 VanDerWaalsContact C-N 3.35Å; C146-I148 PolarHBondContact O-N 3.14Å; I148-E151 PolarHBondContact O-N 3.43Å; I148-L152 HydrophobicContact CG2-CD1 3.48Å; I148-L152 VanDerWaalsContact CG2-CD1 3.48Å; I148-L152 HydrophobicContact CG2-CG 4.08Å; I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 WeakPolarHBondContact O-CG 3.48Å; I148-L152 PolarHBondContact O-N 2.97Å; I148-L251 HydrophobicContact CG1-CD1 4.37Å |
| 149 | W | 69 | Low | 71.8 | Confident | 68 Ų | 68 | 53.5 Ų | 53.5 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.3 | -48.3 | 174.7 | -115.1 | 83.8 | 0 | 0 | 0 | 112.2 | Q145 C146 F147 E151 V153 I231 L233 | Q145-W149 WeakPolarHBondContact O-CB 3.39Å; Q145-W149 PolarHBondContact O-N 2.69Å; C146-W149 WeakPolarHBondContact O-CA 3.46Å; C146-W149 VanDerWaalsContact O-CB 3.22Å; C146-W149 WeakPolarHBondContact O-CB 3.11Å; C146-W149 PolarHBondContact O-N 3.3Å; C146-W149 VanDerWaalsContact O-N 3.07Å; F147-W149 VanDerWaalsContact C-N 3.26Å; F147-W149 PolarHBondContact O-N 2.86Å; W149-E151 PolarHBondContact O-N 3.32Å; W149-V153 HydrophobicContact CE3-CG2 3.73Å; W149-V153 HydrophobicContact CH2-CG2 4.42Å; W149-V153 HydrophobicContact CZ3-CG2 3.59Å; W149-V153 WeakPolarHBondContact O-CB 3.32Å; W149-V153 WeakPolarHBondContact O-CG2 3.29Å; W149-V153 PolarHBondContact O-N 3.49Å; W149-I231 HydrophobicContact CD2-CG2 4.42Å; W149-I231 VanDerWaalsContact CE2-CG2 3.42Å; W149-I231 HydrophobicContact CH2-CG2 3.99Å; W149-I231 HydrophobicContact CZ2-CB 3.95Å; W149-I231 HydrophobicContact CZ2-CG2 3.17Å; W149-L233 HydrophobicContact CD2-CD1 3.9Å; W149-L233 HydrophobicContact CE3-CD1 3.61Å; W149-L233 HydrophobicContact CH2-CB 3.46Å; W149-L233 VanDerWaalsContact CH2-CB 3.46Å; W149-L233 HydrophobicContact CH2-CD1 3.61Å; W149-L233 HydrophobicContact CH2-CG 4.05Å; W149-L233 HydrophobicContact CZ2-CB 4.17Å; W149-L233 HydrophobicContact CZ2-CD1 3.82Å; W149-L233 HydrophobicContact CZ2-CG 4.4Å; W149-L233 HydrophobicContact CZ3-CB 3.75Å; W149-L233 HydrophobicContact CZ3-CD1 3.44Å; W149-L233 VanDerWaalsContact CZ3-CD1 3.44Å; W149-L233 HydrophobicContact CZ3-CG 4.2Å |
| 150 | Y | 67.9 | Low | 70.8 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 12% | 0.122 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.5 | -85.4 | -76.2 | 0 | 0 | 0 | 112.2 | N121 L124 L125 C146 F147 C154 | N121-Y150 WeakPolarHBondContact OD1-CE1 3.37Å; N121-Y150 PolarHBondContact OD1-OH 3.13Å; L124-Y150 HydrophobicContact CD2-CD2 4.37Å; L124-Y150 HydrophobicContact CD2-CE2 3.24Å; L124-Y150 VanDerWaalsContact CD2-CZ 3.5Å; L124-Y150 WeakPolarHBondContact CD2-OH 3.12Å; L124-Y150 HydrophobicContact CG-CE2 4.43Å; L125-Y150 HydrophobicContact CD2-CD1 4.4Å; L125-Y150 HydrophobicContact CD2-CD2 4.49Å; L125-Y150 HydrophobicContact CD2-CG 4.37Å; C146-Y150 WeakPolarHBondContact O-CD2 3.45Å; C146-Y150 PolarHBondContact O-N 2.87Å; F147-Y150 PolarHBondContact O-N 3.15Å; Y150-C154 WeakPolarHBondContact O-CB 3.29Å; Y150-C154 PolarHBondContact O-N 3.39Å; Y150-C154 VanDerWaalsContact O-N 3.08Å; Y150-C154 PolarHBondContact O-SG 3.33Å |
| 151 | E | 67.2 | Low | 69.8 | Low | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.3 | -46.6 | -175 | -167 | 164.8 | 169.1 | 0 | 0 | 112.4 | F147 I148 W149 V153 C154 D155 L251 | F147-E151 WeakPolarHBondContact O-CB 3.18Å; F147-E151 PolarHBondContact O-N 3.43Å; I148-E151 PolarHBondContact O-N 3.43Å; W149-E151 PolarHBondContact O-N 3.32Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.19Å; E151-C154 PolarHBondContact O-N 2.93Å; E151-C154 VanDerWaalsContact O-N 3.15Å; E151-D155 PolarHBondContact O-N 3.34Å; E151-L251 HydrophobicContact CB-CD1 3.98Å; E151-L251 HydrophobicContact CG-CD1 3.97Å; E151-L251 HydrophobicContact CG-CD2 3.9Å; E151-L251 HydrophobicContact CG-CG 4.33Å; E151-L251 WeakPolarHBondContact OE1-CB 3.3Å; E151-L251 WeakPolarHBondContact OE1-CD2 3.1Å; E151-L251 WeakPolarHBondContact OE1-CG 3.42Å; E151-L251 WeakPolarHBondContact OE2-CB 3.38Å; E151-L251 WeakPolarHBondContact OE2-CD1 3.46Å |
| 152 | L | 64.3 | Low | 69.2 | Low | 91 Ų | 91 | 59.6 Ų | 59.6 | 48% | 0.476 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -45.6 | 177.5 | -74.8 | 170.8 | 0 | 0 | 0 | 111.7 | I148 C154 D155 D156 | I148-L152 HydrophobicContact CG2-CD1 3.48Å; I148-L152 VanDerWaalsContact CG2-CD1 3.48Å; I148-L152 HydrophobicContact CG2-CG 4.08Å; I148-L152 WeakPolarHBondContact O-CB 3.35Å; I148-L152 WeakPolarHBondContact O-CG 3.48Å; I148-L152 PolarHBondContact O-N 2.97Å; L152-C154 VanDerWaalsContact C-N 3.32Å; L152-C154 PolarHBondContact O-N 3.09Å; L152-D155 PolarHBondContact O-N 2.87Å; L152-D156 WeakPolarHBondContact O-CB 3.48Å; L152-D156 PolarHBondContact O-N 3.01Å |
| 153 | V | 64.1 | Low | 68.5 | Low | 41 Ų | 41 | 61.3 Ų | 61.3 | 25% | 0.248 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | W149 E151 L157 | W149-V153 HydrophobicContact CE3-CG2 3.73Å; W149-V153 HydrophobicContact CH2-CG2 4.42Å; W149-V153 HydrophobicContact CZ3-CG2 3.59Å; W149-V153 WeakPolarHBondContact O-CB 3.32Å; W149-V153 WeakPolarHBondContact O-CG2 3.29Å; W149-V153 PolarHBondContact O-N 3.49Å; E151-V153 VanDerWaalsContact C-N 3.34Å; E151-V153 PolarHBondContact O-N 3.19Å; V153-L157 HydrophobicContact CG1-CD1 3.61Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 VanDerWaalsContact O-CD1 3.3Å; V153-L157 WeakPolarHBondContact O-CD1 3.47Å; V153-L157 WeakPolarHBondContact O-CG 3.25Å; V153-L157 PolarHBondContact O-N 3.07Å |
| 154 | C | 63.7 | Low | 67.6 | Low | 30 Ų | 30 | 69.4 Ų | 69.4 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.1 | -74.4 | 0 | 0 | 0 | 0 | 112.5 | Y150 E151 L152 K158 | Y150-C154 WeakPolarHBondContact O-CB 3.29Å; Y150-C154 PolarHBondContact O-N 3.39Å; Y150-C154 VanDerWaalsContact O-N 3.08Å; Y150-C154 PolarHBondContact O-SG 3.33Å; E151-C154 PolarHBondContact O-N 2.93Å; E151-C154 VanDerWaalsContact O-N 3.15Å; L152-C154 VanDerWaalsContact C-N 3.32Å; L152-C154 PolarHBondContact O-N 3.09Å; C154-K158 WeakPolarHBondContact O-CB 3.44Å; C154-K158 WeakPolarHBondContact O-CG 3.44Å; C154-K158 PolarHBondContact O-N 2.89Å |
| 155 | D | 65.1 | Low | 66.7 | Low | 67 Ų | 67 | 73.3 Ų | 73.3 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -77.2 | -39.9 | -175.4 | -73.5 | -10.4 | 0 | 0 | 0 | 112.5 | E151 L152 L157 K158 A159 | E151-D155 PolarHBondContact O-N 3.34Å; L152-D155 PolarHBondContact O-N 2.87Å; D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 3.5Å; D155-K158 PolarHBondContact O-N 3.42Å; D155-K158 IonicContact OD1-NZ 3.99Å; D155-K158 PolarHBondContact OD1-NZ 3.39Å; D155-A159 VanDerWaalsContact O-CB 3.29Å; D155-A159 WeakPolarHBondContact O-CB 3.47Å; D155-A159 PolarHBondContact O-N 3.41Å |
| 156 | D | 63.9 | Low | 66 | Low | 117 Ų | 117 | 76.2 Ų | 76.2 | 63% | 0.626 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 172.6 | -76.2 | -20.2 | 0 | 0 | 0 | 111.1 | L152 A159 L160 | L152-D156 WeakPolarHBondContact O-CB 3.48Å; L152-D156 PolarHBondContact O-N 3.01Å; D156-A159 PolarHBondContact O-N 3.38Å; D156-L160 WeakPolarHBondContact O-CB 3.4Å; D156-L160 PolarHBondContact O-N 3.37Å |
| 157 | L | 58.8 | Low | 65.3 | Low | 30 Ų | 30 | 81 Ų | 81 | 16% | 0.157 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -68.4 | -46.1 | 175.3 | -73.2 | 170.8 | 0 | 0 | 0 | 112 | V153 D155 A159 L160 F161 I237 | V153-L157 HydrophobicContact CG1-CD1 3.61Å; V153-L157 HydrophobicContact CG1-CG 4.34Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 VanDerWaalsContact O-CD1 3.3Å; V153-L157 WeakPolarHBondContact O-CD1 3.47Å; V153-L157 WeakPolarHBondContact O-CG 3.25Å; V153-L157 PolarHBondContact O-N 3.07Å; D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 3.5Å; L157-A159 PolarHBondContact O-N 3.24Å; L157-L160 WeakPolarHBondContact O-CB 3.47Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-L160 VanDerWaalsContact O-N 3.12Å; L157-F161 HydrophobicContact CD2-CE2 4.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.42Å; L157-F161 PolarHBondContact O-N 3.07Å; L157-I237 HydrophobicContact CD1-CB 4.31Å; L157-I237 HydrophobicContact CD1-CG1 4.47Å; L157-I237 HydrophobicContact CD1-CG2 3.73Å; L157-I237 HydrophobicContact CD2-CD1 4.18Å; L157-I237 HydrophobicContact CD2-CG1 3.97Å; L157-I237 HydrophobicContact CD2-CG2 4.14Å |
| 158 | K | 65.1 | Low | 64.4 | Low | 133 Ų | 133 | 83.7 Ų | 83.7 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.9 | -42.2 | 174.5 | -75.7 | 169.9 | -154.1 | 155.3 | 0 | 110.7 | C154 D155 F161 A162 | C154-K158 WeakPolarHBondContact O-CB 3.44Å; C154-K158 WeakPolarHBondContact O-CG 3.44Å; C154-K158 PolarHBondContact O-N 2.89Å; D155-K158 PolarHBondContact O-N 3.42Å; D155-K158 IonicContact OD1-NZ 3.99Å; D155-K158 PolarHBondContact OD1-NZ 3.39Å; K158-F161 CarbonylContact O-C 3.54Å; K158-F161 PolarHBondContact O-N 3.48Å; K158-A162 VanDerWaalsContact O-CB 3.22Å; K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 3.37Å |
| 159 | A | 73 | Confident | 64.1 | Low | 65 Ų | 65 | 84.4 Ų | 84.4 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D155 D156 L157 F161 A162 | D155-A159 VanDerWaalsContact O-CB 3.29Å; D155-A159 WeakPolarHBondContact O-CB 3.47Å; D155-A159 PolarHBondContact O-N 3.41Å; D156-A159 PolarHBondContact O-N 3.38Å; L157-A159 PolarHBondContact O-N 3.24Å; A159-F161 VanDerWaalsContact C-N 3.26Å; A159-F161 PolarHBondContact O-N 2.9Å; A159-A162 PolarHBondContact O-N 3.35Å |
| 160 | L | 63.7 | Low | 63.7 | Low | 126 Ų | 126 | 85.7 Ų | 85.7 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -34.5 | 176.5 | -173.1 | 67.7 | 0 | 0 | 0 | 112.4 | D156 L157 | D156-L160 WeakPolarHBondContact O-CB 3.4Å; D156-L160 PolarHBondContact O-N 3.37Å; L157-L160 WeakPolarHBondContact O-CB 3.47Å; L157-L160 PolarHBondContact O-N 2.86Å; L157-L160 VanDerWaalsContact O-N 3.12Å |
| 161 | F | 62 | Low | 63.7 | Low | 85 Ų | 85 | 92.4 Ų | 92.4 | 37% | 0.373 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 3.9 | 178.3 | -67.1 | -74.9 | 0 | 0 | 0 | 113.5 | L157 K158 A159 G163 L165 F239 | L157-F161 HydrophobicContact CD2-CE2 4.29Å; L157-F161 WeakPolarHBondContact O-CD2 3.42Å; L157-F161 PolarHBondContact O-N 3.07Å; K158-F161 CarbonylContact O-C 3.54Å; K158-F161 PolarHBondContact O-N 3.48Å; A159-F161 VanDerWaalsContact C-N 3.26Å; A159-F161 PolarHBondContact O-N 2.9Å; F161-G163 VanDerWaalsContact C-N 3.26Å; F161-G163 PolarHBondContact O-N 3.42Å; F161-L165 HydrophobicContact CD1-CD1 3.96Å; F161-L165 HydrophobicContact CD1-CD2 3.82Å; F161-L165 HydrophobicContact CD1-CG 4.23Å; F161-L165 HydrophobicContact CE1-CD1 4.23Å; F161-L165 HydrophobicContact CE1-CD2 4.03Å; F161-F239 HydrophobicContact CE2-CZ 4.47Å |
| 162 | A | 63.6 | Low | 63.7 | Low | 83 Ų | 83 | 91.2 Ų | 91.2 | 69% | 0.686 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -80 | 75.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | K158 A159 | K158-A162 VanDerWaalsContact O-CB 3.22Å; K158-A162 WeakPolarHBondContact O-CB 3.41Å; K158-A162 PolarHBondContact O-N 3.37Å; A159-A162 PolarHBondContact O-N 3.35Å |
| 163 | G | 64.8 | Low | 63.7 | Low | 54 Ų | 54 | 93.1 Ų | 93.1 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | S | Bend | trans | 168 | 164.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F161 L165 | F161-G163 VanDerWaalsContact C-N 3.26Å; F161-G163 PolarHBondContact O-N 3.42Å; G163-L165 PolarHBondContact O-N 3.02Å |
| 164 | D | 64.6 | Low | 64 | Low | 170 Ų | 170 | 101.3 Ų | 101.3 | 91% | 0.909 | 57% | 0.565 | S | S | * | * | trans | -62.9 | 107.9 | 168 | -70.5 | -33.5 | 0 | 0 | 0 | 107.9 | N166 | D164-N166 PolarHBondContact O-N 3.31Š| ||
| 165 | L | 61.4 | Low | 64.4 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 64% | 0.644 | 59% | 0.593 | S | S | * | * | trans | -54.5 | 109.8 | 169.3 | -76.2 | 167.7 | 0 | 0 | 0 | 107 | F161 G163 P167 | F161-L165 HydrophobicContact CD1-CD1 3.96Å; F161-L165 HydrophobicContact CD1-CD2 3.82Å; F161-L165 HydrophobicContact CD1-CG 4.23Å; F161-L165 HydrophobicContact CE1-CD1 4.23Å; F161-L165 HydrophobicContact CE1-CD2 4.03Å; G163-L165 PolarHBondContact O-N 3.02Å; L165-P167 WeakPolarHBondContact O-CD 3.38Å | ||
| 166 | N | 62.6 | Low | 64.5 | Low | 146 Ų | 146 | 110.5 Ų | 110.5 | 78% | 0.781 | 60% | 0.603 | S | S | * | * | trans | -84.1 | 97.5 | 177.3 | -169.3 | 2.6 | 0 | 0 | 0 | 107.5 | D164 V168 | D164-N166 PolarHBondContact O-N 3.31Å; N166-V168 PolarHBondContact O-N 3.19Å | ||
| 167 | P | 59.6 | Low | 64.9 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | trans | -57.7 | 121.6 | -178.1 | 26.3 | -34.9 | 0 | 0 | 0 | 108.2 | L165 A169 | L165-P167 WeakPolarHBondContact O-CD 3.38Å; P167-A169 PolarHBondContact O-N 3.26Å | ||
| 168 | V | 55.4 | Low | 65.2 | Low | 78 Ų | 78 | 113.9 Ų | 113.9 | 47% | 0.473 | 63% | 0.626 | S | S | . | * | trans | -57.9 | 114.1 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | N166 A172 Q173 | N166-V168 PolarHBondContact O-N 3.19Å; V168-A172 HydrophobicContact CG1-CB 3.63Å; V168-Q173 HydrophobicContact CG1-CB 4.08Å | ||
| 169 | A | 65.4 | Low | 65.1 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 47% | 0.471 | 62% | 0.623 | S | S | . | * | trans | -52.6 | 141.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | P167 K171 A172 Q173 | P167-A169 PolarHBondContact O-N 3.26Å; A169-K171 PolarHBondContact O-N 2.97Å; A169-A172 WeakPolarHBondContact O-CA 3.47Å; A169-A172 WeakPolarHBondContact O-CB 3.21Å; A169-A172 PolarHBondContact O-N 2.96Å; A169-Q173 PolarHBondContact O-N 3.38Å; A169-Q173 VanDerWaalsContact O-N 3.09Å | ||
| 170 | P | 61.2 | Low | 64.5 | Low | 94 Ų | 94 | 118 Ų | 118 | 61% | 0.61 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -53.4 | -28.9 | -176.3 | -28.7 | 33.8 | 0 | 0 | 0 | 113.8 | R174 | P170-R174 WeakPolarHBondContact O-CG 3.43Å; P170-R174 PolarHBondContact O-N 2.96Å |
| 171 | K | 68.5 | Low | 64.3 | Low | 173 Ų | 173 | 113.4 Ų | 113.4 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.3 | -34 | 174.4 | -67.3 | -176.1 | 179.5 | 178.2 | 0 | 113.7 | A169 | A169-K171 PolarHBondContact O-N 2.97Å |
| 172 | A | 68.1 | Low | 63.7 | Low | 46 Ų | 46 | 113.2 Ų | 113.2 | 38% | 0.38 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -79 | -34.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V168 A169 R174 K175 | V168-A172 HydrophobicContact CG1-CB 3.63Å; A169-A172 WeakPolarHBondContact O-CA 3.47Å; A169-A172 WeakPolarHBondContact O-CB 3.21Å; A169-A172 PolarHBondContact O-N 2.96Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 3.24Å; A172-K175 PolarHBondContact O-N 3.1Å |
| 173 | Q | 63.3 | Low | 63.2 | Low | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.4 | -36.1 | 176.9 | -164.9 | 162 | 7.6 | 0 | 0 | 112.3 | V168 A169 K175 L176 | V168-Q173 HydrophobicContact CG1-CB 4.08Å; A169-Q173 PolarHBondContact O-N 3.38Å; A169-Q173 VanDerWaalsContact O-N 3.09Å; Q173-K175 PolarHBondContact O-N 3.42Å; Q173-L176 PolarHBondContact O-N 3.09Å |
| 174 | R | 69.7 | Low | 62.4 | Low | 214 Ų | 214 | 116 Ų | 116 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -17 | 173.4 | -69.3 | 176.7 | -167.7 | -179.5 | 2.3 | 114.7 | P170 A172 | P170-R174 WeakPolarHBondContact O-CG 3.43Å; P170-R174 PolarHBondContact O-N 2.96Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 PolarHBondContact O-N 3.24Å |
| 175 | K | 73.5 | Confident | 61.7 | Low | 181 Ų | 181 | 110.1 Ų | 110.1 | 79% | 0.787 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -8.9 | -180 | -70.5 | -175.9 | 177 | -173.5 | 0 | 112.9 | A172 Q173 | A172-K175 PolarHBondContact O-N 3.1Å; Q173-K175 PolarHBondContact O-N 3.42Å |
| 176 | L | 67.1 | Low | 61.1 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -78.6 | 125 | 178.1 | -70.3 | 168.6 | 0 | 0 | 0 | 108.8 | Q173 I178 | Q173-L176 PolarHBondContact O-N 3.09Å; L176-I178 PolarHBondContact O-N 3.28Å |
| 177 | P | 72.7 | Confident | 60.8 | Low | 114 Ų | 114 | 109.2 Ų | 109.2 | 74% | 0.74 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -60 | 126.6 | 170.9 | 24.1 | -30 | 0 | 0 | 0 | 108.5 | P179 | P177-P179 VanDerWaalsContact O-CD 3.31Å; P177-P179 WeakPolarHBondContact O-CD 3.09Å |
| 178 | I | 64.8 | Low | 60.1 | Low | 104 Ų | 104 | 106.7 Ų | 106.7 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 120.5 | 179.1 | -58.3 | 173.6 | 0 | 0 | 0 | 107.2 | L176 L182 A183 | L176-I178 PolarHBondContact O-N 3.28Å; I178-L182 HydrophobicContact CG2-CB 3.5Å; I178-A183 HydrophobicContact CG2-CB 4.48Å |
| 179 | P | 63 | Low | 59.8 | Low | 79 Ų | 79 | 108.7 Ų | 108.7 | 51% | 0.513 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 144.6 | 174.1 | -23 | 32.9 | 0 | 0 | 0 | 111.4 | P177 G181 L182 | P177-P179 VanDerWaalsContact O-CD 3.31Å; P177-P179 WeakPolarHBondContact O-CD 3.09Å; P179-G181 PolarHBondContact O-N 3.23Å; P179-L182 HydrophobicContact CB-CD1 4.06Å; P179-L182 HydrophobicContact CG-CD1 3.67Å; P179-L182 WeakPolarHBondContact O-CB 3.5Å; P179-L182 PolarHBondContact O-N 2.9Å |
| 180 | E | 60.6 | Low | 58.8 | Low | 207 Ų | 207 | 113.5 Ų | 113.5 | 97% | 0.967 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 128.5 | 171.1 | -77.3 | -177.5 | 151.3 | 0 | 0 | 109.7 | ||
| 181 | G | 57.9 | Low | 58 | Low | 29 Ų | 29 | 115.8 Ų | 115.8 | 30% | 0.299 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 98.7 | -19.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P179 E184 I185 | P179-G181 PolarHBondContact O-N 3.23Å; G181-E184 WeakPolarHBondContact O-CB 3.37Å; G181-I185 PolarHBondContact O-N 3.24Å |
| 182 | L | 50.7 | Low | 56.9 | Low | 80 Ų | 80 | 115.6 Ų | 115.6 | 42% | 0.419 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -83.8 | -25.2 | 173.8 | -96 | 155.1 | 0 | 0 | 0 | 113.4 | I178 P179 E184 I185 E186 | I178-L182 HydrophobicContact CG2-CB 3.5Å; P179-L182 HydrophobicContact CB-CD1 4.06Å; P179-L182 HydrophobicContact CG-CD1 3.67Å; P179-L182 WeakPolarHBondContact O-CB 3.5Å; P179-L182 PolarHBondContact O-N 2.9Å; L182-E184 VanDerWaalsContact C-N 3.28Å; L182-I185 HydrophobicContact CD2-CB 4.49Å; L182-I185 HydrophobicContact CD2-CD1 3.78Å; L182-I185 HydrophobicContact CD2-CG2 4.35Å; L182-I185 HydrophobicContact CG-CD1 4.14Å; L182-I185 VanDerWaalsContact O-CB 3.31Å; L182-I185 WeakPolarHBondContact O-CB 3.39Å; L182-I185 PolarHBondContact O-N 3.11Å; L182-E186 PolarHBondContact O-N 2.6Å |
| 183 | A | 51.7 | Low | 55.6 | Low | 58 Ų | 58 | 122.5 Ų | 122.5 | 48% | 0.479 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.6 | -31 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I178 I185 E186 S187 | I178-A183 HydrophobicContact CG2-CB 4.48Å; A183-I185 VanDerWaalsContact C-N 3.25Å; A183-I185 PolarHBondContact O-N 3.14Å; A183-E186 PolarHBondContact O-N 2.85Å; A183-S187 PolarHBondContact O-N 3.39Å |
| 184 | E | 49.1 | Very low | 54.1 | Low | 137 Ų | 137 | 122.5 Ų | 122.5 | 64% | 0.64 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -66.3 | -33.2 | 174.5 | -63.1 | 179 | 177 | 0 | 0 | 110.7 | G181 L182 S187 N188 | G181-E184 WeakPolarHBondContact O-CB 3.37Å; L182-E184 VanDerWaalsContact C-N 3.28Å; E184-S187 WeakPolarHBondContact CA-OG 3.24Å; E184-S187 CarbonylContact O-C 3.57Å; E184-S187 VanDerWaalsContact O-C 3.28Å; E184-S187 WeakPolarHBondContact O-CA 3.27Å; E184-S187 PolarHBondContact O-N 2.94Å; E184-S187 VanDerWaalsContact O-N 3.17Å; E184-S187 PolarHBondContact O-OG 3.35Å; E184-N188 WeakPolarHBondContact O-CA 3.34Å; E184-N188 WeakPolarHBondContact O-CB 3.4Å; E184-N188 PolarHBondContact O-N 3.44Å |
| 185 | I | 49.1 | Very low | 52.1 | Low | 48 Ų | 48 | 116.5 Ų | 116.5 | 25% | 0.246 | 62% | 0.624 | C | S | . | * | H | α-helix | trans | -62.4 | -38.6 | 172.3 | -79.4 | 168.7 | 0 | 0 | 0 | 112.9 | G181 L182 A183 S187 N188 Y191 | G181-I185 PolarHBondContact O-N 3.24Å; L182-I185 HydrophobicContact CD2-CB 4.49Å; L182-I185 HydrophobicContact CD2-CD1 3.78Å; L182-I185 HydrophobicContact CD2-CG2 4.35Å; L182-I185 HydrophobicContact CG-CD1 4.14Å; L182-I185 VanDerWaalsContact O-CB 3.31Å; L182-I185 WeakPolarHBondContact O-CB 3.39Å; L182-I185 PolarHBondContact O-N 3.11Å; A183-I185 VanDerWaalsContact C-N 3.25Å; A183-I185 PolarHBondContact O-N 3.14Å; I185-S187 VanDerWaalsContact C-N 3.28Å; I185-S187 PolarHBondContact O-N 3.36Å; I185-N188 VanDerWaalsContact O-CB 3.28Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 3.05Å; I185-N188 VanDerWaalsContact O-N 3.15Å; I185-Y191 HydrophobicContact CB-CD2 4.35Å; I185-Y191 HydrophobicContact CB-CE2 3.84Å; I185-Y191 HydrophobicContact CD1-CE2 4.37Å; I185-Y191 HydrophobicContact CG1-CE2 3.82Å; I185-Y191 HydrophobicContact CG2-CD1 4.49Å; I185-Y191 HydrophobicContact CG2-CD2 3.68Å; I185-Y191 HydrophobicContact CG2-CE1 4.01Å; I185-Y191 HydrophobicContact CG2-CE2 3.12Å; I185-Y191 HydrophobicContact CG2-CG 4.33Å; I185-Y191 WeakPolarHBondContact CG2-OH 3.36Å; I185-Y191 WeakPolarHBondContact O-CD2 3.5Å |
| 186 | E | 49.8 | Very low | 50.1 | Low | 159 Ų | 159 | 116.6 Ų | 116.6 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.1 | -25.6 | 173.9 | -73.2 | -174 | 160.6 | 0 | 0 | 112.6 | L182 A183 | L182-E186 PolarHBondContact O-N 2.6Å; A183-E186 PolarHBondContact O-N 2.85Å |
| 187 | S | 54.9 | Low | 48.5 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 64% | 0.636 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -5.1 | 169.8 | 79.3 | 0 | 0 | 0 | 0 | 113.7 | A183 E184 I185 P189 | A183-S187 PolarHBondContact O-N 3.39Å; E184-S187 WeakPolarHBondContact CA-OG 3.24Å; E184-S187 CarbonylContact O-C 3.57Å; E184-S187 VanDerWaalsContact O-C 3.28Å; E184-S187 WeakPolarHBondContact O-CA 3.27Å; E184-S187 PolarHBondContact O-N 2.94Å; E184-S187 VanDerWaalsContact O-N 3.17Å; E184-S187 PolarHBondContact O-OG 3.35Å; I185-S187 VanDerWaalsContact C-N 3.28Å; I185-S187 PolarHBondContact O-N 3.36Å; S187-P189 VanDerWaalsContact O-CD 3.26Å; S187-P189 WeakPolarHBondContact O-CD 3.41Å |
| 188 | N | 44.6 | Very low | 46.4 | Very low | 53 Ų | 53 | 120 Ų | 120 | 28% | 0.283 | 65% | 0.647 | S | S | . | * | trans | -78.4 | 116.2 | -168.5 | -175.5 | -6.3 | 0 | 0 | 0 | 109 | E184 I185 H190 Y191 | E184-N188 WeakPolarHBondContact O-CA 3.34Å; E184-N188 WeakPolarHBondContact O-CB 3.4Å; E184-N188 PolarHBondContact O-N 3.44Å; I185-N188 VanDerWaalsContact O-CB 3.28Å; I185-N188 WeakPolarHBondContact O-CB 3.33Å; I185-N188 PolarHBondContact O-N 3.05Å; I185-N188 VanDerWaalsContact O-N 3.15Å; N188-H190 PolarHBondContact O-N 3.37Å; N188-H190 VanDerWaalsContact OD1-CB 3.27Å; N188-H190 WeakPolarHBondContact OD1-CB 3.31Å; N188-H190 PolarHBondContact OD1-CD2 3.41Å; N188-H190 VanDerWaalsContact OD1-CD2 3.32Å; N188-H190 PolarHBondContact OD1-N 2.98Å; N188-Y191 HydrophobicContact CB-CD2 4.24Å; N188-Y191 PolarHBondContact O-N 3.3Å; N188-Y191 VanDerWaalsContact O-N 3.07Å | ||
| 189 | P | 49.2 | Very low | 45 | Very low | 121 Ų | 121 | 119.9 Ų | 119.9 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -11.7 | 176.3 | 24.2 | -31.9 | 0 | 0 | 0 | 113.6 | S187 | S187-P189 VanDerWaalsContact O-CD 3.26Å; S187-P189 WeakPolarHBondContact O-CD 3.41Å |
| 190 | H | 45.8 | Very low | 43.4 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 73% | 0.731 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -8.9 | 175.2 | -68 | -76.6 | 0 | 0 | 0 | 115.3 | N188 L192 | N188-H190 PolarHBondContact O-N 3.37Å; N188-H190 VanDerWaalsContact OD1-CB 3.27Å; N188-H190 WeakPolarHBondContact OD1-CB 3.31Å; N188-H190 PolarHBondContact OD1-CD2 3.41Å; N188-H190 VanDerWaalsContact OD1-CD2 3.32Å; N188-H190 PolarHBondContact OD1-N 2.98Å; H190-L192 PolarHBondContact O-N 2.79Å; H190-L192 VanDerWaalsContact O-N 3.11Å |
| 191 | Y | 44.5 | Very low | 42.1 | Very low | 141 Ų | 141 | 125.2 Ų | 125.2 | 55% | 0.553 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -73.6 | 106.3 | 164.5 | -92.1 | -100.5 | 0 | 0 | 0 | 108.1 | I185 N188 K193 | I185-Y191 HydrophobicContact CB-CD2 4.35Å; I185-Y191 HydrophobicContact CB-CE2 3.84Å; I185-Y191 HydrophobicContact CD1-CE2 4.37Å; I185-Y191 HydrophobicContact CG1-CE2 3.82Å; I185-Y191 HydrophobicContact CG2-CD1 4.49Å; I185-Y191 HydrophobicContact CG2-CD2 3.68Å; I185-Y191 HydrophobicContact CG2-CE1 4.01Å; I185-Y191 HydrophobicContact CG2-CE2 3.12Å; I185-Y191 HydrophobicContact CG2-CG 4.33Å; I185-Y191 WeakPolarHBondContact CG2-OH 3.36Å; I185-Y191 WeakPolarHBondContact O-CD2 3.5Å; N188-Y191 HydrophobicContact CB-CD2 4.24Å; N188-Y191 PolarHBondContact O-N 3.3Å; N188-Y191 VanDerWaalsContact O-N 3.07Å; Y191-K193 VanDerWaalsContact C-N 3.28Å; Y191-K193 PolarHBondContact O-N 2.99Å |
| 192 | L | 43.8 | Very low | 41.2 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -54.3 | 85.5 | -176 | -74.2 | 158.1 | 0 | 0 | 0 | 111.4 | H190 | H190-L192 PolarHBondContact O-N 2.79Å; H190-L192 VanDerWaalsContact O-N 3.11Å | ||
| 193 | K | 40.7 | Very low | 40.2 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | trans | -69.7 | 120.5 | 150.3 | -71.3 | -177.6 | -178.1 | 172.9 | 0 | 105.8 | Y191 S195 | Y191-K193 VanDerWaalsContact C-N 3.28Å; Y191-K193 PolarHBondContact O-N 2.99Å; K193-S195 PolarHBondContact O-N 3.44Å | ||
| 194 | P | 32 | Very low | 39.3 | Very low | 129 Ų | 129 | 137 Ų | 137 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | trans | -69.5 | 110.3 | -178.5 | 27.3 | -31.1 | 0 | 0 | 0 | 108.9 | ||||
| 195 | S | 28.7 | Very low | 38.6 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | 155.5 | 134.6 | 120.6 | -138.8 | 0 | 0 | 0 | 0 | 114.6 | K193 | K193-S195 PolarHBondContact O-N 3.44Š| |||
| 196 | K | 30.4 | Very low | 37.9 | Very low | 183 Ų | 183 | 148.7 Ų | 148.7 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | trans | 59.3 | 87.5 | 142.1 | -67.2 | 162.9 | -170.1 | -178.4 | 0 | 118.7 | ||||
| 197 | T | 34.9 | Very low | 37.3 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 92% | 0.92 | 78% | 0.776 | S | S | * | * | 174.6 | 139.4 | 128 | 32.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 198 | V | 29.2 | Very low | 36.3 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -94.4 | 132.7 | -179 | -175 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 199 | A | 34.1 | Very low | 35.9 | Very low | 101 Ų | 101 | 157 Ų | 157 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | trans | -146.7 | 133.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 200 | R | 29.8 | Very low | 35.2 | Very low | 242 Ų | 242 | 156.6 Ų | 156.6 | 91% | 0.913 | 81% | 0.81 | S | S | * | * | trans | -84.6 | 148.1 | -176.8 | -62.1 | 164.4 | 167.4 | 153.7 | -4.7 | 110.1 | ||||
| 201 | D | 33.6 | Very low | 34.8 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -154.1 | 148 | 141.1 | -149.4 | 3.4 | 0 | 0 | 0 | 115 | ||||
| 202 | S | 38.1 | Very low | 34.4 | Very low | 98 Ų | 98 | 155.9 Ų | 155.9 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | trans | -28.4 | 148.2 | -179.5 | 53.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 203 | G | 29.7 | Very low | 34 | Very low | 79 Ų | 79 | 153.1 Ų | 153.1 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | trans | -80.2 | 155.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 204 | R | 33.9 | Very low | 33.8 | Very low | 236 Ų | 236 | 147.8 Ų | 147.8 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -111.4 | 126.3 | 177.4 | -136 | 175.8 | -147.4 | 169.8 | 6.3 | 109.8 | ||||
| 205 | K | 34 | Very low | 34.1 | Very low | 209 Ų | 209 | 146.2 Ų | 146.2 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 137.2 | 174.2 | -69.6 | 176.4 | 175.9 | 177.4 | 0 | 110 | ||
| 206 | Y | 34.4 | Very low | 34.6 | Very low | 223 Ų | 223 | 150.1 Ų | 150.1 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 132.7 | 165.5 | -82.2 | -85.3 | 0 | 0 | 0 | 110.3 | ||
| 207 | S | 37.1 | Very low | 34.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 155.8 | 175.1 | 47.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 208 | K | 34.3 | Very low | 35 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -109.9 | 81.5 | -166.4 | -176 | -173.1 | -176.5 | -179.7 | 0 | 109.1 | ||||
| 209 | E | 36.7 | Very low | 35.6 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | trans | -152.2 | 87.5 | 179.6 | -101.2 | 155.8 | -162.5 | 0 | 0 | 109.4 | ||||
| 210 | S | 34.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | 173.4 | 79.6 | 159.3 | -77.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 211 | L | 36.3 | Very low | 37 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 52% | 0.524 | 69% | 0.685 | S | S | . | * | trans | -135 | 75.2 | 179.3 | -156.3 | 160.8 | 0 | 0 | 0 | 107.6 | P26 | P26-L211 HydrophobicContact CB-CD1 3.38Å; P26-L211 HydrophobicContact CB-CG 4.14Å; P26-L211 HydrophobicContact CG-CB 4.09Å; P26-L211 HydrophobicContact CG-CD1 3.32Å; P26-L211 HydrophobicContact CG-CG 3.47Å; P26-L211 VanDerWaalsContact CG-CG 3.47Å | ||
| 212 | E | 36.6 | Very low | 37.7 | Very low | 184 Ų | 184 | 130 Ų | 130 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -150.1 | 126 | 173.3 | -113.5 | 150.9 | -161.1 | 0 | 0 | 111.1 | ||||
| 213 | S | 35.8 | Very low | 38.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | 73.8 | 102 | 171.9 | -166.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 214 | Y | 36.3 | Very low | 38.9 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 31% | 0.306 | 66% | 0.657 | S | S | . | * | trans | -114.6 | 129.8 | 164 | -62.3 | -66.7 | 0 | 0 | 0 | 110.8 | R23 L25 | R23-Y214 WeakPolarHBondContact O-CB 3.46Å; R23-Y214 WeakPolarHBondContact O-CD1 3.25Å; R23-Y214 WeakPolarHBondContact O-CD2 3.15Å; R23-Y214 WeakPolarHBondContact O-CE2 3.03Å; L25-Y214 HydrophobicContact CB-CE1 4.27Å; L25-Y214 WeakPolarHBondContact CB-OH 3.32Å; L25-Y214 HydrophobicContact CD1-CE1 3.5Å; L25-Y214 VanDerWaalsContact CD1-CE1 3.5Å; L25-Y214 WeakPolarHBondContact CD1-OH 3.33Å; L25-Y214 HydrophobicContact CD2-CE1 4.23Å; L25-Y214 HydrophobicContact CG-CD1 4.38Å; L25-Y214 HydrophobicContact CG-CE1 3.31Å; L25-Y214 WeakPolarHBondContact CG-OH 3.17Å | ||
| 215 | P | 38.6 | Very low | 39.7 | Very low | 96 Ų | 96 | 121 Ų | 121 | 62% | 0.623 | 62% | 0.617 | S | S | * | * | trans | -71.7 | 146.6 | 169.9 | 29.9 | -32.1 | 0 | 0 | 0 | 110.4 | V217 | P215-V217 PolarHBondContact O-N 3.12Å; P215-V217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | E | 37.7 | Very low | 40.1 | Very low | 172 Ų | 172 | 113.1 Ų | 113.1 | 80% | 0.804 | 60% | 0.595 | S | S | * | * | trans | -67 | 104.4 | 172.5 | -63.2 | -169.9 | 155.6 | 0 | 0 | 110.2 | R23 | R23-E216 VanDerWaalsContact NH1-CB 3.32Š| ||
| 217 | V | 34.7 | Very low | 40.3 | Very low | 75 Ų | 75 | 108 Ų | 108 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | trans | -95.3 | 119.4 | 174.1 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | R23 P215 I219 | R23-V217 PolarHBondContact NE-O 3.25Å; R23-V217 VanDerWaalsContact NH2-C 3.29Å; R23-V217 PolarHBondContact NH2-O 3.45Å; P215-V217 PolarHBondContact O-N 3.12Å; P215-V217 VanDerWaalsContact O-N 3.09Å; V217-I219 PolarHBondContact O-N 2.81Å | ||
| 218 | N | 39.9 | Very low | 40.3 | Very low | 140 Ų | 140 | 104.7 Ų | 104.7 | 75% | 0.749 | 56% | 0.555 | S | S | * | * | trans | -74.6 | 105.8 | 174 | -158.2 | -12.3 | 0 | 0 | 0 | 108.7 | ||||
| 219 | I | 41.9 | Very low | 40 | Very low | 34 Ų | 34 | 102.6 Ų | 102.6 | 17% | 0.174 | 55% | 0.553 | C | S | . | * | trans | -92.6 | 108.7 | -172.6 | -57.2 | 157.6 | 0 | 0 | 0 | 108.7 | V22 V217 L221 | V22-I219 HydrophobicContact CB-CD1 3.51Å; V22-I219 HydrophobicContact CG1-CD1 3.62Å; V22-I219 HydrophobicContact CG1-CG1 4.32Å; V22-I219 HydrophobicContact CG2-CD1 3.77Å; V217-I219 PolarHBondContact O-N 2.81Å; I219-L221 PolarHBondContact O-N 3.23Å | ||
| 220 | Q | 47.7 | Very low | 39.7 | Very low | 131 Ų | 131 | 97.3 Ų | 97.3 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | trans | -78.8 | 112.9 | 167 | -71.6 | 173.3 | 1 | 0 | 0 | 108.5 | D222 K223 | Q220-D222 PolarHBondContact O-N 3.37Å; Q220-D222 VanDerWaalsContact O-N 3.11Å; Q220-K223 PolarHBondContact O-N 3.15Å | ||
| 221 | L | 44.7 | Very low | 39.5 | Very low | 52 Ų | 52 | 94 Ų | 94 | 27% | 0.272 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -12.1 | 177.1 | -75.1 | 87.4 | 0 | 0 | 0 | 113.1 | L18 Y61 I219 K223 | L18-L221 HydrophobicContact CD1-CD1 4.02Å; L18-L221 HydrophobicContact CD1-CD2 3.33Å; L18-L221 HydrophobicContact CD1-CG 3.64Å; Y61-L221 HydrophobicContact CD1-CD2 3.91Å; Y61-L221 HydrophobicContact CE1-CB 4.14Å; Y61-L221 HydrophobicContact CE1-CD2 3.42Å; Y61-L221 VanDerWaalsContact CE1-CD2 3.42Å; Y61-L221 HydrophobicContact CE1-CG 4.32Å; Y61-L221 PolarHBondContact OH-O 2.99Å; I219-L221 PolarHBondContact O-N 3.23Å; L221-K223 VanDerWaalsContact C-N 3.28Å; L221-K223 PolarHBondContact O-N 3.41Å |
| 222 | D | 49.1 | Very low | 39.1 | Very low | 121 Ų | 121 | 98.4 Ų | 98.4 | 65% | 0.647 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 5 | -178.9 | -60.4 | -43.1 | 0 | 0 | 0 | 113.7 | K95 Q220 | K95-D222 IonicContact NZ-OD1 2.74Å; K95-D222 PolarHBondContact NZ-OD1 3.16Å; Q220-D222 PolarHBondContact O-N 3.37Å; Q220-D222 VanDerWaalsContact O-N 3.11Å |
| 223 | K | 45.9 | Very low | 39.1 | Very low | 136 Ų | 136 | 91.2 Ų | 91.2 | 59% | 0.591 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -72.2 | 126.8 | 170.3 | -69.3 | -177.4 | -178.3 | 178.7 | 0 | 109.2 | Q220 L221 L225 | Q220-K223 PolarHBondContact O-N 3.15Å; L221-K223 VanDerWaalsContact C-N 3.28Å; L221-K223 PolarHBondContact O-N 3.41Å; K223-L225 PolarHBondContact O-N 3.5Å |
| 224 | P | 47.2 | Very low | 39.1 | Very low | 78 Ų | 78 | 94.2 Ų | 94.2 | 51% | 0.506 | 50% | 0.499 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 139.2 | 173.6 | 25.5 | -33 | 0 | 0 | 0 | 109 | E138 G226 | E138-P224 WeakPolarHBondContact OE2-CB 3.45Å; P224-G226 PolarHBondContact O-N 3.43Å |
| 225 | L | 50.1 | Low | 39.1 | Very low | 9 Ų | 9 | 93.9 Ų | 93.9 | 5% | 0.047 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 140.1 | 168.5 | -72.9 | 168.2 | 0 | 0 | 0 | 107.8 | W65 V99 Y102 R142 K223 I227 | W65-L225 HydrophobicContact CG-CD2 4.4Å; V99-L225 HydrophobicContact CB-CD1 3.94Å; V99-L225 HydrophobicContact CG1-CD1 4.07Å; V99-L225 HydrophobicContact CG2-CD1 3.68Å; Y102-L225 HydrophobicContact CD1-CD1 4.14Å; Y102-L225 HydrophobicContact CG-CD1 4.14Å; R142-L225 PolarHBondContact NH2-O 3.2Å; K223-L225 PolarHBondContact O-N 3.5Å; L225-I227 PolarHBondContact O-N 2.88Å; L225-I227 VanDerWaalsContact O-N 3.15Å |
| 226 | G | 43.4 | Very low | 39.4 | Very low | 44 Ų | 44 | 91.8 Ų | 91.8 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | trans | -40.1 | 124.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R142 P224 I228 | R142-G226 PolarHBondContact NH1-O 2.96Å; R142-G226 PolarHBondContact NH2-O 3.44Å; P224-G226 PolarHBondContact O-N 3.43Å; G226-I228 PolarHBondContact O-N 2.86Å | ||
| 227 | I | 37.9 | Very low | 39.3 | Very low | 115 Ų | 115 | 86.9 Ų | 86.9 | 59% | 0.59 | 48% | 0.477 | S | S | * | . | trans | -58.9 | 124.8 | 166.3 | -62.8 | 171.6 | 0 | 0 | 0 | 104.9 | L225 N229 | L225-I227 PolarHBondContact O-N 2.88Å; L225-I227 VanDerWaalsContact O-N 3.15Å; I227-N229 PolarHBondContact O-N 3.34Å | ||
| 228 | I | 37.7 | Very low | 39.5 | Very low | 43 Ų | 43 | 84.5 Ų | 84.5 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | trans | -68.1 | 81.3 | 174.3 | -52.6 | 172 | 0 | 0 | 0 | 106.7 | Y102 M105 G226 G230 I231 | Y102-I228 HydrophobicContact CD2-CD1 4.35Å; Y102-I228 HydrophobicContact CD2-CG1 4.46Å; Y102-I228 HydrophobicContact CE2-CD1 4.19Å; Y102-I228 HydrophobicContact CE2-CG1 4Å; M105-I228 HydrophobicContact CB-CD1 4.4Å; M105-I228 HydrophobicContact CE-CD1 4.16Å; M105-I228 HydrophobicContact SD-CD1 4.48Å; G226-I228 PolarHBondContact O-N 2.86Å; I228-G230 VanDerWaalsContact C-N 3.32Å; I228-G230 PolarHBondContact O-N 3.13Å; I228-I231 HydrophobicContact CB-CD1 4.17Å; I228-I231 HydrophobicContact CB-CG1 3.94Å; I228-I231 HydrophobicContact CD1-CD1 4.37Å; I228-I231 HydrophobicContact CG2-CD1 4.1Å; I228-I231 HydrophobicContact CG2-CG1 3.41Å; I228-I231 VanDerWaalsContact CG2-CG1 3.41Å | ||
| 229 | N | 27.9 | Very low | 39.1 | Very low | 150 Ų | 150 | 85.4 Ų | 85.4 | 80% | 0.802 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 91.3 | 171.7 | -76.9 | -39 | 0 | 0 | 0 | 106.5 | I227 | I227-N229 PolarHBondContact O-N 3.34Š|
| 230 | G | 28.9 | Very low | 38.9 | Very low | 60 Ų | 60 | 87.3 Ų | 87.3 | 62% | 0.619 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.2 | 41.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I228 F232 | I228-G230 VanDerWaalsContact C-N 3.32Å; I228-G230 PolarHBondContact O-N 3.13Å; G230-F232 PolarHBondContact O-N 3.3Å |
| 231 | I | 31.8 | Very low | 38.2 | Very low | 44 Ų | 44 | 87 Ų | 87 | 23% | 0.226 | 48% | 0.478 | C | S | . | . | trans | -68.7 | 83.4 | 170.9 | -48.4 | -178.7 | 0 | 0 | 0 | 110.1 | W149 I228 L233 | W149-I231 HydrophobicContact CD2-CG2 4.42Å; W149-I231 VanDerWaalsContact CE2-CG2 3.42Å; W149-I231 HydrophobicContact CH2-CG2 3.99Å; W149-I231 HydrophobicContact CZ2-CB 3.95Å; W149-I231 HydrophobicContact CZ2-CG2 3.17Å; I228-I231 HydrophobicContact CB-CD1 4.17Å; I228-I231 HydrophobicContact CB-CG1 3.94Å; I228-I231 HydrophobicContact CD1-CD1 4.37Å; I228-I231 HydrophobicContact CG2-CD1 4.1Å; I228-I231 HydrophobicContact CG2-CG1 3.41Å; I228-I231 VanDerWaalsContact CG2-CG1 3.41Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 HydrophobicContact CG2-CB 4.05Å; I231-L233 HydrophobicContact CG2-CD1 3.27Å; I231-L233 HydrophobicContact CG2-CG 3.41Å; I231-L233 VanDerWaalsContact CG2-CG 3.41Å | ||
| 232 | F | 26.2 | Very low | 37.8 | Very low | 192 Ų | 192 | 87.5 Ų | 87.5 | 84% | 0.842 | 48% | 0.483 | S | S | * | . | trans | -96.4 | 68.4 | 152.7 | -149.9 | -88.6 | 0 | 0 | 0 | 105.7 | G230 K234 | G230-F232 PolarHBondContact O-N 3.3Å; F232-K234 PolarHBondContact O-N 3.23Å | ||
| 233 | L | 37.7 | Very low | 37.1 | Very low | 33 Ų | 33 | 86.5 Ų | 86.5 | 17% | 0.173 | 48% | 0.482 | C | S | . | . | trans | -61.2 | 116.7 | 172.1 | -82.9 | 151.5 | 0 | 0 | 0 | 106.6 | Y108 E109 W149 I231 G235 | Y108-L233 HydrophobicContact CD1-CD1 4.38Å; Y108-L233 HydrophobicContact CD1-CD2 4.06Å; Y108-L233 HydrophobicContact CE1-CD1 4.35Å; Y108-L233 HydrophobicContact CE1-CD2 4.23Å; E109-L233 HydrophobicContact CB-CD2 3.71Å; E109-L233 HydrophobicContact CG-CD2 3.74Å; W149-L233 HydrophobicContact CD2-CD1 3.9Å; W149-L233 HydrophobicContact CE3-CD1 3.61Å; W149-L233 HydrophobicContact CH2-CB 3.46Å; W149-L233 VanDerWaalsContact CH2-CB 3.46Å; W149-L233 HydrophobicContact CH2-CD1 3.61Å; W149-L233 HydrophobicContact CH2-CG 4.05Å; W149-L233 HydrophobicContact CZ2-CB 4.17Å; W149-L233 HydrophobicContact CZ2-CD1 3.82Å; W149-L233 HydrophobicContact CZ2-CG 4.4Å; W149-L233 HydrophobicContact CZ3-CB 3.75Å; W149-L233 HydrophobicContact CZ3-CD1 3.44Å; W149-L233 VanDerWaalsContact CZ3-CD1 3.44Å; W149-L233 HydrophobicContact CZ3-CG 4.2Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 HydrophobicContact CG2-CB 4.05Å; I231-L233 HydrophobicContact CG2-CD1 3.27Å; I231-L233 HydrophobicContact CG2-CG 3.41Å; I231-L233 VanDerWaalsContact CG2-CG 3.41Å; L233-G235 VanDerWaalsContact C-N 3.29Å; L233-G235 PolarHBondContact O-N 3.38Å | ||
| 234 | K | 36.7 | Very low | 36.6 | Very low | 175 Ų | 175 | 87.8 Ų | 87.8 | 76% | 0.761 | 49% | 0.494 | S | S | * | . | trans | -50.7 | 76.6 | -176.1 | -70.2 | 175.9 | 170.3 | 175.3 | 0 | 114 | F232 R236 | F232-K234 PolarHBondContact O-N 3.23Å; K234-R236 VanDerWaalsContact O-CG 3.26Å; K234-R236 WeakPolarHBondContact O-CG 3.45Å; K234-R236 PolarHBondContact O-N 3.16Å | ||
| 235 | G | 35.9 | Very low | 36.1 | Very low | 72 Ų | 72 | 86.5 Ų | 86.5 | 74% | 0.742 | 49% | 0.485 | S | S | * | . | trans | 46.8 | 34.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | L233 I237 | L233-G235 VanDerWaalsContact C-N 3.29Å; L233-G235 PolarHBondContact O-N 3.38Å; G235-I237 PolarHBondContact O-N 3.41Å | ||
| 236 | R | 43.8 | Very low | 35.2 | Very low | 52 Ų | 52 | 92 Ų | 92 | 20% | 0.196 | 52% | 0.521 | C | S | . | . | trans | -88.8 | 112.3 | -177.4 | -66.4 | -163 | -176.9 | 144.1 | -10.9 | 110.4 | E111 S112 W114 K234 | E111-R236 PolarHBondContact O-NH1 2.89Å; E111-R236 PolarHBondContact O-NH2 2.83Å; S112-R236 PolarHBondContact OG-NH2 3.1Å; W114-R236 HydrophobicContact CH2-CB 3.78Å; W114-R236 HydrophobicContact CH2-CG 3.98Å; W114-R236 HydrophobicContact CZ2-CG 4.46Å; W114-R236 HydrophobicContact CZ3-CB 4.21Å; K234-R236 VanDerWaalsContact O-CG 3.26Å; K234-R236 WeakPolarHBondContact O-CG 3.45Å; K234-R236 PolarHBondContact O-N 3.16Å | ||
| 237 | I | 37 | Very low | 34.9 | Very low | 68 Ų | 68 | 93.8 Ų | 93.8 | 35% | 0.349 | 54% | 0.54 | S | S | . | . | trans | -83.8 | 121 | -179.1 | -54.2 | 178.6 | 0 | 0 | 0 | 108.4 | W114 L157 G235 F239 | W114-I237 WeakPolarHBondContact CZ3-O 3.19Å; L157-I237 HydrophobicContact CD1-CB 4.31Å; L157-I237 HydrophobicContact CD1-CG1 4.47Å; L157-I237 HydrophobicContact CD1-CG2 3.73Å; L157-I237 HydrophobicContact CD2-CD1 4.18Å; L157-I237 HydrophobicContact CD2-CG1 3.97Å; L157-I237 HydrophobicContact CD2-CG2 4.14Å; G235-I237 PolarHBondContact O-N 3.41Å; I237-F239 HydrophobicContact CG2-CD2 3.71Å; I237-F239 HydrophobicContact CG2-CE2 3.44Å; I237-F239 VanDerWaalsContact CG2-CE2 3.44Å; I237-F239 HydrophobicContact CG2-CZ 4.37Å | ||
| 238 | L | 38.1 | Very low | 34.9 | Very low | 25 Ų | 25 | 92 Ų | 92 | 13% | 0.131 | 53% | 0.53 | C | S | . | . | trans | -113.1 | 125.8 | 168.2 | -81.7 | 169.8 | 0 | 0 | 0 | 110.2 | Y108 I117 Y118 N121 | Y108-L238 HydrophobicContact CE2-CD1 3.63Å; Y108-L238 WeakPolarHBondContact OH-CD1 2.9Å; I117-L238 HydrophobicContact CG2-CD1 4.1Å; I117-L238 HydrophobicContact CG2-CD2 4.35Å; Y118-L238 HydrophobicContact CD2-CD2 4.49Å; N121-L238 HydrophobicContact CB-CD1 4.01Å | ||
| 239 | F | 32.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 95.3 Ų | 95.3 | 70% | 0.697 | 55% | 0.547 | S | S | * | . | trans | -103 | 98.8 | 174.9 | -84.4 | -87 | 0 | 0 | 0 | 109.7 | F161 I237 | F161-F239 HydrophobicContact CE2-CZ 4.47Å; I237-F239 HydrophobicContact CG2-CD2 3.71Å; I237-F239 HydrophobicContact CG2-CE2 3.44Å; I237-F239 VanDerWaalsContact CG2-CE2 3.44Å; I237-F239 HydrophobicContact CG2-CZ 4.37Å | ||
| 240 | Q | 36 | Very low | 35.5 | Very low | 74 Ų | 74 | 90.3 Ų | 90.3 | 35% | 0.346 | 53% | 0.531 | S | S | . | . | trans | -157.1 | 141.5 | 154.7 | -99.4 | -168.5 | -38.6 | 0 | 0 | 110.1 | Y118 N122 V242 | Y118-Q240 HydrophobicContact CE2-CG 4.05Å; Y118-Q240 PolarHBondContact OH-NE2 3.37Å; N122-Q240 PolarHBondContact ND2-OE1 3.45Å; N122-Q240 PolarHBondContact OD1-OE1 2.88Å; Q240-V242 PolarHBondContact O-N 3.09Å | ||
| 241 | P | 34 | Very low | 36 | Very low | 126 Ų | 126 | 89.1 Ų | 89.1 | 82% | 0.818 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 125.9 | 173.7 | 28.3 | -31.4 | 0 | 0 | 0 | 110.9 | ||
| 242 | V | 36.6 | Very low | 36.5 | Very low | 62 Ų | 62 | 93.8 Ų | 93.8 | 38% | 0.376 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 135.5 | 175 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L125 Q240 I244 | L125-V242 HydrophobicContact CD1-CG2 4.23Å; L125-V242 HydrophobicContact CD2-CG1 4.29Å; L125-V242 HydrophobicContact CD2-CG2 4.19Å; Q240-V242 PolarHBondContact O-N 3.09Å; V242-I244 PolarHBondContact O-N 3.23Å |
| 243 | P | 33.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 89.7 Ų | 89.7 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -68 | 125.4 | 169.5 | 26.8 | -31.5 | 0 | 0 | 0 | 110.3 | V245 | P243-V245 PolarHBondContact O-N 3.16Š|
| 244 | I | 36.1 | Very low | 37.8 | Very low | 164 Ų | 164 | 93 Ų | 93 | 84% | 0.841 | 53% | 0.526 | S | S | * | . | trans | -62.7 | 115.1 | 175 | -59.2 | 166.9 | 0 | 0 | 0 | 108.2 | V242 P246 | V242-I244 PolarHBondContact O-N 3.23Å; I244-P246 WeakPolarHBondContact O-CD 3.27Å | ||
| 245 | V | 37.2 | Very low | 38.1 | Very low | 50 Ų | 50 | 89.3 Ų | 89.3 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | trans | -78.5 | 116.5 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | P129 P243 G247 M248 | P129-V245 HydrophobicContact CB-CG2 4.31Å; P129-V245 HydrophobicContact CG-CG2 4.04Å; P243-V245 PolarHBondContact O-N 3.16Å; V245-G247 PolarHBondContact O-N 3.23Å; V245-M248 HydrophobicContact CB-CG 4.32Å; V245-M248 HydrophobicContact CB-SD 4.33Å; V245-M248 PolarHBondContact O-N 3.25Å | ||
| 246 | P | 29.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 91.4 Ų | 91.4 | 81% | 0.805 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 128.4 | 176.6 | -19.1 | 32 | 0 | 0 | 0 | 110.5 | I244 | I244-P246 WeakPolarHBondContact O-CD 3.27Š|
| 247 | G | 37.7 | Very low | 38.8 | Very low | 83 Ų | 83 | 92.8 Ų | 92.8 | 86% | 0.856 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | -4.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V245 L249 | V245-G247 PolarHBondContact O-N 3.23Å; G247-L249 PolarHBondContact O-N 3.29Å |
| 248 | M | 38.9 | Very low | 39.2 | Very low | 76 Ų | 76 | 95.6 Ų | 95.6 | 37% | 0.374 | 53% | 0.526 | S | S | . | . | trans | -69.8 | 122.7 | 162.7 | -77.7 | -169.2 | 67 | 0 | 0 | 109.3 | L132 F147 V245 G250 | L132-M248 HydrophobicContact CD1-CG 4.05Å; L132-M248 HydrophobicContact CD1-SD 3.81Å; F147-M248 HydrophobicContact CB-CE 4.4Å; F147-M248 HydrophobicContact CD1-CE 4.33Å; F147-M248 HydrophobicContact CD1-SD 4.43Å; F147-M248 HydrophobicContact CD2-CE 4.26Å; F147-M248 HydrophobicContact CE1-SD 4.29Å; F147-M248 HydrophobicContact CG-CE 4.09Å; F147-M248 HydrophobicContact CZ-SD 4.34Å; V245-M248 HydrophobicContact CB-CG 4.32Å; V245-M248 HydrophobicContact CB-SD 4.33Å; V245-M248 PolarHBondContact O-N 3.25Å; M248-G250 PolarHBondContact O-N 3.49Å | ||
| 249 | L | 41.6 | Very low | 39.5 | Very low | 113 Ų | 113 | 98.7 Ų | 98.7 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | trans | -52.5 | 109.6 | 161.7 | -83.3 | 146.2 | 0 | 0 | 0 | 106.8 | G247 H253 | G247-L249 PolarHBondContact O-N 3.29Å; L249-H253 HydrophobicContact CB-CB 4.42Å; L249-H253 HydrophobicContact CD2-CB 4.31Å | ||
| 250 | G | 35.1 | Very low | 40 | Very low | 45 Ų | 45 | 98.8 Ų | 98.8 | 46% | 0.464 | 53% | 0.534 | S | S | . | . | trans | -51.9 | 150 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M248 E252 H253 | M248-G250 PolarHBondContact O-N 3.49Å; G250-E252 PolarHBondContact O-N 3.47Å; G250-H253 PolarHBondContact O-N 3.21Å | ||
| 251 | L | 40.2 | Very low | 40.4 | Very low | 35 Ų | 35 | 99.1 Ų | 99.1 | 18% | 0.183 | 54% | 0.544 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -24.4 | -177.2 | -155.1 | 93.7 | 0 | 0 | 0 | 113.3 | I148 E151 H253 Y254 E255 | I148-L251 HydrophobicContact CG1-CD1 4.37Å; E151-L251 HydrophobicContact CB-CD1 3.98Å; E151-L251 HydrophobicContact CG-CD1 3.97Å; E151-L251 HydrophobicContact CG-CD2 3.9Å; E151-L251 HydrophobicContact CG-CG 4.33Å; E151-L251 WeakPolarHBondContact OE1-CB 3.3Å; E151-L251 WeakPolarHBondContact OE1-CD2 3.1Å; E151-L251 WeakPolarHBondContact OE1-CG 3.42Å; E151-L251 WeakPolarHBondContact OE2-CB 3.38Å; E151-L251 WeakPolarHBondContact OE2-CD1 3.46Å; L251-H253 PolarHBondContact O-N 3.23Å; L251-H253 VanDerWaalsContact O-N 3.1Å; L251-Y254 PolarHBondContact O-N 3.42Å; L251-E255 WeakPolarHBondContact O-CB 3.28Å; L251-E255 PolarHBondContact O-N 3.14Å |
| 252 | E | 42 | Very low | 40.9 | Very low | 142 Ų | 142 | 96.4 Ų | 96.4 | 66% | 0.664 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -47 | -35.9 | 169.2 | -60.7 | -167.7 | 178.3 | 0 | 0 | 114.4 | G250 K256 | G250-E252 PolarHBondContact O-N 3.47Å; E252-K256 WeakPolarHBondContact O-CB 3.46Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 3.23Å |
| 253 | H | 43.5 | Very low | 41.3 | Very low | 107 Ų | 107 | 102.7 Ų | 102.7 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.4 | -33 | -178.7 | -133.6 | -77.7 | 0 | 0 | 0 | 112 | L249 G250 L251 N257 | L249-H253 HydrophobicContact CB-CB 4.42Å; L249-H253 HydrophobicContact CD2-CB 4.31Å; G250-H253 PolarHBondContact O-N 3.21Å; L251-H253 PolarHBondContact O-N 3.23Å; L251-H253 VanDerWaalsContact O-N 3.1Å; H253-N257 PolarHBondContact O-ND2 3.29Å |
| 254 | Y | 46.8 | Very low | 41.9 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 40% | 0.4 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -81.1 | -38.9 | 174.9 | -74.3 | -81.1 | 0 | 0 | 0 | 111.8 | L251 K256 N257 L258 | L251-Y254 PolarHBondContact O-N 3.42Å; Y254-K256 VanDerWaalsContact C-N 3.32Å; Y254-K256 PolarHBondContact O-N 3Å; Y254-N257 PolarHBondContact O-N 2.9Å; Y254-L258 PolarHBondContact O-N 2.77Å |
| 255 | E | 44.9 | Very low | 42.3 | Very low | 97 Ų | 97 | 105.3 Ų | 105.3 | 45% | 0.453 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 177.1 | -144.7 | -155.8 | -178.4 | 0 | 0 | 111.3 | L251 N257 K259 | L251-E255 WeakPolarHBondContact O-CB 3.28Å; L251-E255 PolarHBondContact O-N 3.14Å; E255-N257 VanDerWaalsContact C-N 3.28Å; E255-N257 PolarHBondContact O-N 3.09Å; E255-K259 HydrophobicContact CG-CD 4.48Å; E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 VanDerWaalsContact O-CG 3.28Å; E255-K259 WeakPolarHBondContact O-CG 3.32Å; E255-K259 PolarHBondContact O-N 3.41Å; E255-K259 VanDerWaalsContact OE1-CE 3.3Å; E255-K259 WeakPolarHBondContact OE1-CE 3.16Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.87Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.91Å |
| 256 | K | 49.1 | Very low | 42.8 | Very low | 116 Ų | 116 | 110.7 Ų | 110.7 | 50% | 0.504 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.4 | -33.7 | 170.5 | -86.3 | 172 | 179.9 | 159.5 | 0 | 112.5 | E252 Y254 R260 | E252-K256 WeakPolarHBondContact O-CB 3.46Å; E252-K256 WeakPolarHBondContact O-CG 3.27Å; E252-K256 PolarHBondContact O-N 3.23Å; Y254-K256 VanDerWaalsContact C-N 3.32Å; Y254-K256 PolarHBondContact O-N 3Å; K256-R260 VanDerWaalsContact O-CB 3.3Å; K256-R260 WeakPolarHBondContact O-CB 3.49Å; K256-R260 VanDerWaalsContact O-CD 3.3Å; K256-R260 WeakPolarHBondContact O-CD 3.46Å; K256-R260 WeakPolarHBondContact O-CG 3.32Å; K256-R260 PolarHBondContact O-N 3.06Å; K256-R260 VanDerWaalsContact O-N 3.14Å |
| 257 | N | 44.1 | Very low | 43.5 | Very low | 82 Ų | 82 | 111.8 Ų | 111.8 | 44% | 0.439 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -81.8 | -36.4 | -178.6 | -75.3 | -22.3 | 0 | 0 | 0 | 113.1 | H253 Y254 E255 R260 S261 | H253-N257 PolarHBondContact O-ND2 3.29Å; Y254-N257 PolarHBondContact O-N 2.9Å; E255-N257 VanDerWaalsContact C-N 3.28Å; E255-N257 PolarHBondContact O-N 3.09Å; N257-R260 PolarHBondContact O-N 3.4Å; N257-S261 PolarHBondContact O-N 3.32Å |
| 258 | L | 45.6 | Very low | 43.7 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 67% | 0.665 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 171.5 | -115.5 | 81.5 | 0 | 0 | 0 | 112.2 | Y254 R260 S261 S262 | Y254-L258 PolarHBondContact O-N 2.77Å; L258-R260 VanDerWaalsContact C-N 3.27Å; L258-R260 PolarHBondContact O-N 2.91Å; L258-S261 PolarHBondContact O-N 2.62Å; L258-S261 PolarHBondContact O-OG 3.26Å; L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 VanDerWaalsContact O-N 3.12Å; L258-S262 PolarHBondContact O-OG 2.85Å |
| 259 | K | 45.5 | Very low | 44 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 39% | 0.391 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.3 | -25.2 | 174.9 | -69.8 | 173.7 | -177.3 | 167.5 | 0 | 112 | E255 S262 R263 | E255-K259 HydrophobicContact CG-CD 4.48Å; E255-K259 WeakPolarHBondContact O-CB 3.45Å; E255-K259 VanDerWaalsContact O-CG 3.28Å; E255-K259 WeakPolarHBondContact O-CG 3.32Å; E255-K259 PolarHBondContact O-N 3.41Å; E255-K259 VanDerWaalsContact OE1-CE 3.3Å; E255-K259 WeakPolarHBondContact OE1-CE 3.16Å; E255-K259 IonicContact OE1-NZ 2.64Å; E255-K259 PolarHBondContact OE1-NZ 2.87Å; E255-K259 IonicContact OE2-NZ 2.86Å; E255-K259 PolarHBondContact OE2-NZ 2.91Å; K259-S262 PolarHBondContact O-OG 3.43Å; K259-R263 WeakPolarHBondContact O-CB 3.33Å; K259-R263 WeakPolarHBondContact O-CD 3.41Å; K259-R263 WeakPolarHBondContact O-CG 3.49Å; K259-R263 PolarHBondContact O-N 3.41Å |
| 260 | R | 42.9 | Very low | 44.2 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 61% | 0.608 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80 | -32.2 | 174.3 | -80.8 | 170.6 | 171.8 | 176.9 | -3.3 | 113.4 | K256 N257 L258 R264 | K256-R260 VanDerWaalsContact O-CB 3.3Å; K256-R260 WeakPolarHBondContact O-CB 3.49Å; K256-R260 VanDerWaalsContact O-CD 3.3Å; K256-R260 WeakPolarHBondContact O-CD 3.46Å; K256-R260 WeakPolarHBondContact O-CG 3.32Å; K256-R260 PolarHBondContact O-N 3.06Å; K256-R260 VanDerWaalsContact O-N 3.14Å; N257-R260 PolarHBondContact O-N 3.4Å; L258-R260 VanDerWaalsContact C-N 3.27Å; L258-R260 PolarHBondContact O-N 2.91Å; R260-R264 WeakPolarHBondContact O-CG 3.22Å |
| 261 | S | 43 | Very low | 44.6 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.4 | -39.3 | 177.3 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | N257 L258 R264 | N257-S261 PolarHBondContact O-N 3.32Å; L258-S261 PolarHBondContact O-N 2.62Å; L258-S261 PolarHBondContact O-OG 3.26Å; S261-R264 PolarHBondContact O-N 3.04Å |
| 262 | S | 45.6 | Very low | 44.6 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66.8 | -38.7 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | L258 K259 R264 S265 | L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 VanDerWaalsContact O-N 3.12Å; L258-S262 PolarHBondContact O-OG 2.85Å; K259-S262 PolarHBondContact O-OG 3.43Å; S262-R264 VanDerWaalsContact C-N 3.33Å; S262-R264 PolarHBondContact O-N 2.96Å; S262-S265 PolarHBondContact O-N 3.18Å; S262-S265 PolarHBondContact O-OG 3.01Å; S262-S265 VanDerWaalsContact O-OG 3.1Å |
| 263 | R | 45.4 | Very low | 44.4 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 73% | 0.732 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.4 | -18.5 | 178.9 | -73.5 | 177.7 | 177.9 | 172.1 | -0.5 | 114.7 | K259 | K259-R263 WeakPolarHBondContact O-CB 3.33Å; K259-R263 WeakPolarHBondContact O-CD 3.41Å; K259-R263 WeakPolarHBondContact O-CG 3.49Å; K259-R263 PolarHBondContact O-N 3.41Å |
| 264 | R | 44.1 | Very low | 44.3 | Very low | 226 Ų | 226 | 141.5 Ų | 141.5 | 85% | 0.853 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -10.7 | 178.6 | -82 | 179.9 | 169.9 | 175 | -2.3 | 114.1 | R260 S261 S262 | R260-R264 WeakPolarHBondContact O-CG 3.22Å; S261-R264 PolarHBondContact O-N 3.04Å; S262-R264 VanDerWaalsContact C-N 3.33Å; S262-R264 PolarHBondContact O-N 2.96Å |
| 265 | S | 44.6 | Very low | 44.1 | Very low | 93 Ų | 93 | 146 Ų | 146 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -93 | -10.2 | -177.6 | 72 | 0 | 0 | 0 | 0 | 115 | S262 | S262-S265 PolarHBondContact O-N 3.18Å; S262-S265 PolarHBondContact O-OG 3.01Å; S262-S265 VanDerWaalsContact O-OG 3.1Å |
| 266 | H | 48.5 | Very low | 43.8 | Very low | 162 Ų | 162 | 149.4 Ų | 149.4 | 75% | 0.75 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -121.6 | -2.5 | -166.2 | -116.1 | -65.5 | 0 | 0 | 0 | 118.3 | ||
| 267 | D | 44 | Very low | 43.3 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -119.6 | 70.5 | -175.2 | -99.4 | -33.9 | 0 | 0 | 0 | 114.1 | ||||
| 268 | K | 43.7 | Very low | 42.9 | Very low | 209 Ų | 209 | 156.6 Ų | 156.6 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -116.3 | 65.8 | 157.3 | -87.2 | -175.5 | 177.3 | 173.3 | 0 | 109.4 | ||||
| 269 | K | 45 | Very low | 42.6 | Very low | 180 Ų | 180 | 155.8 Ų | 155.8 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -165.9 | 120 | 162.8 | -113 | 162 | -175.6 | 174.7 | 0 | 113 | ||||
| 270 | K | 45.4 | Very low | 42.1 | Very low | 195 Ų | 195 | 156.4 Ų | 156.4 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | trans | 81.8 | 102 | 159 | -55.6 | 178.7 | 177.1 | 180 | 0 | 116.4 | ||||
| 271 | K | 43.3 | Very low | 41.8 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | 67.8 | 110.8 | 84.8 | -94.4 | -173.9 | 177.3 | 173.5 | 0 | 116 | |||||
| 272 | K | 39.9 | Very low | 41.5 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | 63.9 | 117.9 | 139.7 | -65.6 | -174.6 | 173.9 | -171.5 | 0 | 119.3 | ||||
| 273 | G | 38.7 | Very low | 41.3 | Very low | 83 Ų | 83 | 159.8 Ų | 159.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 165.7 | 135.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 274 | H | 41.4 | Very low | 41.2 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -110.2 | 149.4 | -158.1 | -147.5 | -31.6 | 0 | 0 | 0 | 111.8 | ||||
| 275 | R | 41.3 | Very low | 41.1 | Very low | 198 Ų | 198 | 151.6 Ų | 151.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | 87.8 | 124.4 | 151 | -61.9 | -166.9 | 164.9 | 170.4 | -6.5 | 120.6 | ||||
| 276 | H | 39.7 | Very low | 40.7 | Very low | 167 Ų | 167 | 159.4 Ų | 159.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 28.8 | 140.3 | 132.4 | -54.1 | -72.1 | 0 | 0 | 0 | 118.5 | ||||
| 277 | R | 37.6 | Very low | 39.9 | Very low | 239 Ų | 239 | 159.1 Ų | 159.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | cis | -171.7 | 164.8 | 41.4 | -142.7 | 172.5 | -177.6 | -179 | -0.6 | 108.6 | ||||
| 278 | S | 36.3 | Very low | 39.5 | Very low | 111 Ų | 111 | 157.2 Ų | 157.2 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -75.3 | 157.9 | -170.5 | 46.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 279 | S | 39.8 | Very low | 39 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -169.3 | 104.6 | 146.4 | 55 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 280 | S | 34.7 | Very low | 38.8 | Very low | 104 Ų | 104 | 155.2 Ų | 155.2 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 68.8 | 125.9 | 77.5 | 79.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 281 | L | 36.7 | Very low | 38.9 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | 148.8 | 98.5 | 142.1 | -78.2 | 158 | 0 | 0 | 0 | 108.5 | ||||
| 282 | S | 36.2 | Very low | 39 | Very low | 92 Ų | 92 | 151.5 Ų | 151.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | 71.3 | 136.1 | 78.5 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 283 | D | 41.8 | Very low | 39.3 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | -176.7 | -170.9 | 2.1 | -123.2 | -37.8 | 0 | 0 | 0 | 105.1 | ||||
| 284 | P | 42.5 | Very low | 39.8 | Very low | 110 Ų | 110 | 156.9 Ų | 156.9 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -138.7 | 145.6 | 11.9 | 30.9 | -5.9 | 0 | 0 | 0 | 119.1 | ||||
| 285 | E | 43.2 | Very low | 40.3 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 65% | 0.645 | 75% | 0.747 | S | S | * | * | 60.5 | 117.8 | 124.8 | -58.6 | 179.4 | 179 | 0 | 0 | 125.9 | F287 | E285-F287 HydrophobicContact CB-CD2 4.44Å; E285-F287 HydrophobicContact CG-CD2 4.03Å; E285-F287 HydrophobicContact CG-CE2 3.91Å; E285-F287 WeakPolarHBondContact OE1-CE2 3.47Å | |||
| 286 | R | 35.2 | Very low | 40.6 | Very low | 256 Ų | 256 | 150.8 Ų | 150.8 | 97% | 0.966 | 76% | 0.76 | S | S | * | * | -137.2 | 115.2 | 125 | -125.2 | -179.9 | -171 | 176.7 | 3.1 | 109 | |||||
| 287 | F | 30.7 | Very low | 41 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 69% | 0.689 | 75% | 0.749 | S | S | * | * | trans | -75 | 127.4 | -173 | -101 | -102.5 | 0 | 0 | 0 | 113.5 | E285 | E285-F287 HydrophobicContact CB-CD2 4.44Å; E285-F287 HydrophobicContact CG-CD2 4.03Å; E285-F287 HydrophobicContact CG-CE2 3.91Å; E285-F287 WeakPolarHBondContact OE1-CE2 3.47Å | ||
| 288 | V | 37.4 | Very low | 41.9 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | trans | -127.2 | 116.6 | 151 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | Y290 | V288-Y290 HydrophobicContact CB-CE2 4.25Å; V288-Y290 HydrophobicContact CG1-CD2 4.33Å; V288-Y290 HydrophobicContact CG1-CE2 3.73Å; V288-Y290 PolarHBondContact O-N 2.98Å | ||
| 289 | Q | 33.4 | Very low | 43.2 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -80.4 | 109.7 | -174.2 | -169.1 | 168.3 | -8.3 | 0 | 0 | 109.5 | ||||
| 290 | Y | 40.3 | Very low | 44.3 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -103.3 | 111.1 | 163.5 | -65.6 | -82.7 | 0 | 0 | 0 | 107.5 | V288 I292 | V288-Y290 HydrophobicContact CB-CE2 4.25Å; V288-Y290 HydrophobicContact CG1-CD2 4.33Å; V288-Y290 HydrophobicContact CG1-CE2 3.73Å; V288-Y290 PolarHBondContact O-N 2.98Å; Y290-I292 PolarHBondContact O-N 3.23Å | ||
| 291 | E | 46 | Very low | 45.6 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -70.1 | 107.4 | 168 | -85.2 | 179.9 | 158.6 | 0 | 0 | 108.7 | ||||
| 292 | I | 46.3 | Very low | 46.7 | Very low | 132 Ų | 132 | 148 Ų | 148 | 68% | 0.677 | 75% | 0.746 | S | S | * | * | trans | -97 | 111.1 | 170.4 | -55.7 | 173.6 | 0 | 0 | 0 | 106.2 | Y290 Q294 | Y290-I292 PolarHBondContact O-N 3.23Å; I292-Q294 PolarHBondContact O-N 3.19Å | ||
| 293 | Y | 46.4 | Very low | 47.6 | Very low | 213 Ų | 213 | 145.9 Ų | 145.9 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -63.1 | 121.1 | 176.1 | -128.6 | -100.5 | 0 | 0 | 0 | 109.6 | ||||
| 294 | Q | 48.2 | Very low | 48.4 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | trans | -119.6 | 19.6 | 177.7 | -68.5 | -173.8 | -0.4 | 0 | 0 | 112.5 | I292 | I292-Q294 PolarHBondContact O-N 3.19Š| ||
| 295 | G | 51.6 | Low | 49 | Very low | 49 Ų | 49 | 145.9 Ų | 145.9 | 51% | 0.505 | 74% | 0.737 | S | S | . | * | S | Bend | trans | -89.4 | 145.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | G297 | G295-G297 PolarHBondContact O-N 2.95Š|
| 296 | D | 48.1 | Very low | 49.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 100% | 1.005 | 75% | 0.746 | S | S | * | * | trans | -64.1 | 79.1 | 165.1 | -65 | -35.1 | 0 | 0 | 0 | 108.8 | ||||
| 297 | G | 49.3 | Very low | 50.3 | Low | 53 Ų | 53 | 141.1 Ų | 141.1 | 55% | 0.546 | 74% | 0.74 | S | S | . | * | trans | -121.9 | 131.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G295 | G295-G297 PolarHBondContact O-N 2.95Š| ||
| 298 | E | 55 | Low | 50.9 | Low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 139.8 | 178 | -68.4 | 177.8 | 154.9 | 0 | 0 | 111.9 | ||
| 299 | M | 63.3 | Low | 51.3 | Low | 130 Ų | 130 | 146.3 Ų | 146.3 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 132.4 | -179.2 | -174.9 | 173.5 | 71.6 | 0 | 0 | 110.5 | A303 | M299-A303 HydrophobicContact CG-CB 3.62Å; M299-A303 HydrophobicContact SD-CB 3.98Å |
| 300 | P | 63.2 | Low | 51.5 | Low | 94 Ų | 94 | 148.3 Ų | 148.3 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.8 | 178.3 | 22.6 | -30 | 0 | 0 | 0 | 110.7 | N302 A303 | P300-N302 PolarHBondContact O-N 2.9Å; P300-A303 HydrophobicContact CG-CB 4.22Å; P300-A303 PolarHBondContact O-N 3.11Å |
| 301 | E | 62 | Low | 51.1 | Low | 199 Ų | 199 | 145.8 Ų | 145.8 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -8.1 | -171.9 | -66.3 | -175.3 | 156.8 | 0 | 0 | 115.4 | ||
| 302 | N | 61.4 | Low | 50.7 | Low | 154 Ų | 154 | 143.1 Ų | 143.1 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 13.1 | -178.6 | -64.3 | -29.8 | 0 | 0 | 0 | 114 | P300 T304 | P300-N302 PolarHBondContact O-N 2.9Å; N302-T304 PolarHBondContact O-N 3.03Å |
| 303 | A | 53.8 | Low | 50.1 | Low | 46 Ų | 46 | 144.4 Ų | 144.4 | 38% | 0.38 | 78% | 0.778 | S | S | . | * | trans | -78.8 | 111.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | M299 P300 | M299-A303 HydrophobicContact CG-CB 3.62Å; M299-A303 HydrophobicContact SD-CB 3.98Å; P300-A303 HydrophobicContact CG-CB 4.22Å; P300-A303 PolarHBondContact O-N 3.11Å | ||
| 304 | T | 59.2 | Low | 49.6 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -91.3 | 125.3 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 110.4 | N302 T306 | N302-T304 PolarHBondContact O-N 3.03Å; T304-T306 PolarHBondContact O-N 3.21Å | ||
| 305 | V | 54.2 | Low | 49 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -76 | 120.9 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | D307 | V305-D307 VanDerWaalsContact C-N 3.28Å; V305-D307 PolarHBondContact O-N 3.09Å | ||
| 306 | T | 56.1 | Low | 48.3 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 9.6 | -166.9 | -24 | 0 | 0 | 0 | 0 | 114.7 | T304 | T304-T306 PolarHBondContact O-N 3.21Š|
| 307 | D | 51 | Low | 47.9 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 10.7 | -169.7 | -93.2 | -17.7 | 0 | 0 | 0 | 115.7 | V305 | V305-D307 VanDerWaalsContact C-N 3.28Å; V305-D307 PolarHBondContact O-N 3.09Å |
| 308 | E | 42.4 | Very low | 47.3 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -137.3 | 69.9 | 178 | -66.8 | -168.6 | 169.9 | 0 | 0 | 114.3 | ||||
| 309 | E | 46 | Very low | 46.5 | Very low | 201 Ų | 201 | 146.8 Ų | 146.8 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -136.6 | 82.7 | 155.5 | -75.7 | -161.7 | 167.9 | 0 | 0 | 111.8 | ||||
| 310 | K | 37.6 | Very low | 45.5 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 136.3 | 145.9 | -85.6 | 179.9 | 178.6 | 172.4 | 0 | 107.9 | ||||
| 311 | T | 32.5 | Very low | 44.8 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | 67.7 | 90.4 | 158 | 45.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 312 | S | 37.3 | Very low | 44.1 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | -163.6 | 129.2 | 124.3 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 313 | L | 33.4 | Very low | 43.2 | Very low | 160 Ų | 160 | 152.5 Ų | 152.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -48.2 | 135.5 | 165.3 | -63.4 | 154.8 | 0 | 0 | 0 | 110.6 | ||||
| 314 | N | 35.9 | Very low | 42.8 | Very low | 151 Ų | 151 | 157.2 Ų | 157.2 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | -177.8 | 125.9 | 132 | -90.4 | -17.1 | 0 | 0 | 0 | 111.6 | ||||
| 315 | E | 34.7 | Very low | 42.2 | Very low | 164 Ų | 164 | 158.1 Ų | 158.1 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | trans | -2.4 | 139.2 | 151.6 | -82.9 | 171.2 | 141.8 | 0 | 0 | 118.3 | ||||
| 316 | F | 38.7 | Very low | 41.7 | Very low | 198 Ų | 198 | 162.5 Ų | 162.5 | 87% | 0.868 | 85% | 0.848 | S | S | * | * | trans | 170.4 | 158.5 | 131.6 | -86.3 | -59.7 | 0 | 0 | 0 | 109.5 | ||||
| 317 | P | 39.6 | Very low | 41 | Very low | 109 Ų | 109 | 163.8 Ų | 163.8 | 71% | 0.708 | 85% | 0.848 | S | S | * | * | -123.5 | 153.4 | -65.5 | 22.3 | -1.2 | 0 | 0 | 0 | 112.1 | M319 | P317-M319 PolarHBondContact O-N 3.14Š| |||
| 318 | T | 35.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 164.2 Ų | 164.2 | 82% | 0.816 | 85% | 0.849 | S | S | * | * | trans | -57.9 | 116.1 | 168.6 | 38.7 | 0 | 0 | 0 | 0 | 111.7 | K320 | T318-K320 PolarHBondContact O-N 3.3Š| ||
| 319 | M | 40 | Very low | 40.4 | Very low | 179 Ų | 179 | 163.6 Ų | 163.6 | 88% | 0.882 | 85% | 0.851 | S | S | * | * | trans | -67.4 | 115.3 | 162.9 | -88.2 | -170.3 | -172.7 | 0 | 0 | 109.4 | P317 | P317-M319 PolarHBondContact O-N 3.14Š| ||
| 320 | K | 42.3 | Very low | 40 | Very low | 186 Ų | 186 | 161.4 Ų | 161.4 | 81% | 0.809 | 85% | 0.845 | S | S | * | * | trans | -81.9 | 131.5 | 163.9 | -70.2 | -178.6 | 177.4 | 177.4 | 0 | 108.4 | T318 D322 | T318-K320 PolarHBondContact O-N 3.3Å; K320-D322 PolarHBondContact O-N 3.49Å | ||
| 321 | Y | 47.4 | Very low | 40.2 | Very low | 222 Ų | 222 | 159.3 Ų | 159.3 | 87% | 0.871 | 85% | 0.845 | S | S | * | * | trans | -78.9 | 110.6 | 166 | -72.7 | -83.7 | 0 | 0 | 0 | 108.5 | T323 | Y321-T323 PolarHBondContact O-N 3.43Š| ||
| 322 | D | 46.7 | Very low | 40.7 | Very low | 148 Ų | 148 | 160.6 Ų | 160.6 | 79% | 0.791 | 85% | 0.845 | S | S | * | * | trans | -72.1 | 120.3 | 166.8 | -81 | -27.2 | 0 | 0 | 0 | 109.6 | K320 | K320-D322 PolarHBondContact O-N 3.49Š| ||
| 323 | T | 42.6 | Very low | 40.9 | Very low | 140 Ų | 140 | 163.6 Ų | 163.6 | 86% | 0.859 | 85% | 0.846 | S | S | * | * | trans | -71.4 | 125.4 | 163.6 | 37.5 | 0 | 0 | 0 | 0 | 110 | Y321 | Y321-T323 PolarHBondContact O-N 3.43Š| ||
| 324 | L | 46.3 | Very low | 41.5 | Very low | 146 Ų | 146 | 163.9 Ų | 163.9 | 76% | 0.764 | 85% | 0.847 | S | S | * | * | trans | -115.5 | 125 | 169.9 | -81.5 | 168.3 | 0 | 0 | 0 | 111 | ||||
| 325 | N | 45.6 | Very low | 42 | Very low | 146 Ų | 146 | 165 Ų | 165 | 78% | 0.781 | 85% | 0.85 | S | S | * | * | trans | 66.6 | 122.1 | 153.2 | -56.4 | -17 | 0 | 0 | 0 | 116.7 | ||||
| 326 | T | 44.4 | Very low | 42.6 | Very low | 209 Ų | 209 | 165.1 Ų | 165.1 | 100% | 1.282 | 86% | 0.857 | S | S | * | * | cis | -149 | 0 | 29.8 | -58.3 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 326 of 326 residues in 166 ms
(Link to these results)