| 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 | 38.3 | Very low | 56 | Low | 243 Ų | 243 | 104.9 Ų | 104.9 | 100% | 1.197 | 60% | 0.597 | S | S | * | * | 0 | 112.7 | 0 | -69.2 | -178.6 | -172.5 | 0 | 0 | 106.8 | S3 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.98Å; M1-S3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | S | 42 | Very low | 59.3 | Low | 119 Ų | 119 | 101.5 Ų | 101.5 | 83% | 0.832 | 57% | 0.572 | S | S | * | * | trans | -75.2 | 91.8 | 171.4 | 172.8 | 0 | 0 | 0 | 0 | 106.6 | T4 | S2-T4 PolarHBondContact O-N 3.27Å; S2-T4 VanDerWaalsContact O-N 3.1Å | ||
| 3 | S | 40.8 | Very low | 62.3 | Low | 83 Ų | 83 | 93.9 Ų | 93.9 | 58% | 0.58 | 53% | 0.529 | S | S | * | . | trans | -64 | 112 | 168.7 | 50.7 | 0 | 0 | 0 | 0 | 106.2 | M1 F5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 2.98Å; M1-S3 VanDerWaalsContact O-N 3.1Å; S3-F5 VanDerWaalsContact C-N 3.27Å; S3-F5 PolarHBondContact O-N 2.76Å | ||
| 4 | T | 40.8 | Very low | 64.8 | Low | 125 Ų | 125 | 89.3 Ų | 89.3 | 77% | 0.767 | 50% | 0.502 | S | S | * | . | trans | -57.2 | 94.4 | 169.5 | 37 | 0 | 0 | 0 | 0 | 107.8 | S2 T6 | S2-T4 PolarHBondContact O-N 3.27Å; S2-T4 VanDerWaalsContact O-N 3.1Å; T4-T6 PolarHBondContact O-N 3Å; T4-T6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | F | 43.3 | Very low | 67 | Low | 152 Ų | 152 | 83.4 Ų | 83.4 | 67% | 0.667 | 47% | 0.469 | S | S | * | . | trans | -51.7 | 116.7 | 168.9 | -95.8 | -100.5 | 0 | 0 | 0 | 106.4 | S3 D9 | S3-F5 VanDerWaalsContact C-N 3.27Å; S3-F5 PolarHBondContact O-N 2.76Å; F5-D9 HydrophobicContact CB-CB 4.44Å; F5-D9 HydrophobicContact CD1-CB 3.46Å; F5-D9 VanDerWaalsContact CD1-CB 3.46Å; F5-D9 HydrophobicContact CE1-CB 4.09Å; F5-D9 HydrophobicContact CG-CB 4.31Å | ||
| 6 | T | 49.3 | Very low | 69 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 44% | 0.442 | 44% | 0.44 | S | S | . | . | trans | -66.2 | 157.1 | 174.8 | 64.7 | 0 | 0 | 0 | 0 | 108.4 | T4 K8 D9 S10 | T4-T6 PolarHBondContact O-N 3Å; T4-T6 VanDerWaalsContact O-N 3.07Å; T6-K8 PolarHBondContact O-N 3Å; T6-K8 VanDerWaalsContact O-N 3.07Å; T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 PolarHBondContact N-OD2 2.76Å; T6-D9 WeakPolarHBondContact O-CB 3.47Å; T6-D9 PolarHBondContact O-N 3.37Å; T6-D9 PolarHBondContact OG1-N 3.29Å; T6-D9 PolarHBondContact OG1-OD2 3.16Å; T6-S10 PolarHBondContact O-N 3.4Å | ||
| 7 | A | 55.3 | Low | 70.8 | Confident | 73 Ų | 73 | 73.6 Ų | 73.6 | 60% | 0.603 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -57.6 | -23 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S10 N11 | A7-S10 PolarHBondContact O-OG 2.96Å; A7-S10 VanDerWaalsContact O-OG 3.11Å; A7-N11 PolarHBondContact O-N 2.68Å; A7-N11 PolarHBondContact O-ND2 3.34Å |
| 8 | K | 57.6 | Low | 72.3 | Confident | 144 Ų | 144 | 70 Ų | 70 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -66.8 | -44 | 170.7 | -95.4 | -173.6 | 171.9 | -174.5 | 0 | 111.9 | T6 S10 N11 H12 F130 | T6-K8 PolarHBondContact O-N 3Å; T6-K8 VanDerWaalsContact O-N 3.07Å; K8-S10 VanDerWaalsContact C-N 3.34Å; K8-S10 PolarHBondContact O-N 2.75Å; K8-N11 PolarHBondContact O-N 2.87Å; K8-H12 WeakPolarHBondContact O-CB 3.49Å; K8-H12 PolarHBondContact O-N 3.29Å; K8-H12 VanDerWaalsContact O-N 3.16Å; K8-F130 HydrophobicContact CG-CE2 4.13Å |
| 9 | D | 72.1 | Confident | 73.5 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.3 | -36.7 | -178.5 | -57 | -39.5 | 0 | 0 | 0 | 111.6 | F5 T6 N11 R57 | F5-D9 HydrophobicContact CB-CB 4.44Å; F5-D9 HydrophobicContact CD1-CB 3.46Å; F5-D9 VanDerWaalsContact CD1-CB 3.46Å; F5-D9 HydrophobicContact CE1-CB 4.09Å; F5-D9 HydrophobicContact CG-CB 4.31Å; T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 PolarHBondContact N-OD2 2.76Å; T6-D9 WeakPolarHBondContact O-CB 3.47Å; T6-D9 PolarHBondContact O-N 3.37Å; T6-D9 PolarHBondContact OG1-N 3.29Å; T6-D9 PolarHBondContact OG1-OD2 3.16Å; D9-N11 PolarHBondContact O-N 3.17Å; D9-R57 PolarHBondContact O-NH1 3.43Å |
| 10 | S | 82.8 | Confident | 74.4 | Confident | 54 Ų | 54 | 64.2 Ų | 64.2 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -71.1 | -29.8 | 178.9 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | T6 A7 K8 R57 | T6-S10 PolarHBondContact O-N 3.4Å; A7-S10 PolarHBondContact O-OG 2.96Å; A7-S10 VanDerWaalsContact O-OG 3.11Å; K8-S10 VanDerWaalsContact C-N 3.34Å; K8-S10 PolarHBondContact O-N 2.75Å; S10-R57 PolarHBondContact O-NH1 2.94Å; S10-R57 PolarHBondContact O-NH2 3.23Å; S10-R57 VanDerWaalsContact O-NH2 3.17Å |
| 11 | N | 93.3 | Very high | 75.3 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.07 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -0.1 | 179.5 | -75 | -22.5 | 0 | 0 | 0 | 114.7 | A7 K8 D9 R123 N127 P128 I129 F130 | A7-N11 PolarHBondContact O-N 2.68Å; A7-N11 PolarHBondContact O-ND2 3.34Å; K8-N11 PolarHBondContact O-N 2.87Å; D9-N11 PolarHBondContact O-N 3.17Å; N11-R123 PolarHBondContact OD1-NH1 2.82Å; N11-N127 PolarHBondContact ND2-OD1 2.78Å; N11-P128 WeakPolarHBondContact CB-O 3.37Å; N11-P128 PolarHBondContact ND2-O 2.94Å; N11-I129 HydrophobicContact CB-CD1 4.44Å; N11-F130 HydrophobicContact CB-CD2 4.25Å; N11-F130 PolarHBondContact O-N 3Å |
| 12 | H | 95.9 | Very high | 77.9 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 30% | 0.296 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.2 | 176.4 | -174.4 | 81 | 0 | 0 | 0 | 111.3 | K8 R57 F130 N132 | K8-H12 WeakPolarHBondContact O-CB 3.49Å; K8-H12 PolarHBondContact O-N 3.29Å; K8-H12 VanDerWaalsContact O-N 3.16Å; H12-R57 PolarHBondContact O-NH1 3.2Å; H12-F130 HydrophobicContact CB-CB 4.4Å; H12-N132 PolarHBondContact CE1-OD1 3.12Å; H12-N132 PolarHBondContact NE2-ND2 3.46Å; H12-N132 PolarHBondContact NE2-OD1 2.63Å |
| 13 | F | 97.8 | Very high | 80.6 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.1 | 176.2 | -66.9 | -93.2 | 0 | 0 | 0 | 109.8 | Y15 V16 R57 A59 T102 I129 F130 Y131 N132 | F13-Y15 VanDerWaalsContact C-N 3.34Å; F13-V16 HydrophobicContact CB-CG2 3.8Å; F13-V16 HydrophobicContact CG-CG2 4.47Å; F13-R57 HydrophobicContact CD1-CB 3.68Å; F13-R57 HydrophobicContact CE1-CB 4.31Å; F13-R57 HydrophobicContact CG-CB 4.49Å; F13-R57 VanDerWaalsContact CZ-NH2 3.3Å; F13-A59 HydrophobicContact CB-CB 4.31Å; F13-A59 HydrophobicContact CD1-CB 3.54Å; F13-A59 HydrophobicContact CD2-CB 3.99Å; F13-A59 HydrophobicContact CE1-CB 3.73Å; F13-A59 HydrophobicContact CE2-CB 4.17Å; F13-A59 HydrophobicContact CG-CB 3.67Å; F13-A59 HydrophobicContact CZ-CB 4.03Å; F13-T102 HydrophobicContact CE1-CG2 4.41Å; F13-T102 HydrophobicContact CZ-CG2 4.33Å; F13-I129 HydrophobicContact CD2-CG2 3.91Å; F13-I129 HydrophobicContact CE2-CD1 3.99Å; F13-I129 HydrophobicContact CE2-CG2 4.4Å; F13-F130 PolarHBondContact N-O 3.19Å; F13-Y131 CarbonylContact O-C 3.54Å; F13-Y131 WeakPolarHBondContact O-CA 3.25Å; F13-N132 PolarHBondContact O-N 2.85Å; F13-N132 VanDerWaalsContact O-N 3.11Å |
| 14 | D | 97.5 | Very high | 83.3 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -41 | 174.4 | -63.8 | -88 | 0 | 0 | 0 | 110.9 | K56 R57 N132 K133 | D14-K56 HydrophobicContact CB-CB 4.37Å; D14-K56 HydrophobicContact CB-CG 4.44Å; D14-K56 WeakPolarHBondContact OD2-CA 3.41Å; D14-R57 PolarHBondContact N-O 3.37Å; D14-R57 PolarHBondContact OD2-N 2.94Å; D14-N132 WeakPolarHBondContact O-CB 2.93Å; D14-N132 PolarHBondContact O-N 3.22Å; D14-N132 PolarHBondContact OD1-ND2 3.12Å; D14-N132 VanDerWaalsContact OD1-ND2 3.08Å; D14-K133 PolarHBondContact O-N 3.34Å |
| 15 | Y | 98.7 | Very high | 86 | Confident | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.1 | -180 | -49.8 | -81.9 | 0 | 0 | 0 | 110.2 | F13 L31 L35 K56 R57 V58 A59 K133 M492 S496 | F13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-L31 HydrophobicContact CD1-CD1 4.27Å; Y15-L31 HydrophobicContact CD1-CD2 3.88Å; Y15-L31 HydrophobicContact CD2-CD2 4.34Å; Y15-L31 HydrophobicContact CE1-CD2 3.92Å; Y15-L31 HydrophobicContact CE2-CD2 4.37Å; Y15-L31 HydrophobicContact CG-CD1 4.05Å; Y15-L31 HydrophobicContact CG-CD2 4.07Å; Y15-L35 HydrophobicContact CD2-CD1 4.13Å; Y15-L35 HydrophobicContact CE2-CD1 3.85Å; Y15-L35 HydrophobicContact CE2-CD2 4.05Å; Y15-L35 HydrophobicContact CE2-CG 4.37Å; Y15-K56 HydrophobicContact CE2-CD 4.21Å; Y15-R57 PolarHBondContact N-O 3.47Å; Y15-R57 VanDerWaalsContact N-O 3.14Å; Y15-V58 HydrophobicContact CD2-CG2 3.97Å; Y15-V58 CarbonylContact O-C 3.52Å; Y15-V58 WeakPolarHBondContact O-CA 3.45Å; Y15-A59 PolarHBondContact O-N 3.37Å; Y15-K133 WeakPolarHBondContact CA-O 3.3Å; Y15-K133 HydrophobicContact CD1-CB 3.99Å; Y15-K133 HydrophobicContact CD1-CG 4.3Å; Y15-K133 HydrophobicContact CE1-CB 4.45Å; Y15-K133 HydrophobicContact CE1-CG 4.26Å; Y15-M492 HydrophobicContact CD1-CB 4.15Å; Y15-M492 HydrophobicContact CD1-CE 3.81Å; Y15-M492 HydrophobicContact CE1-CB 4.16Å; Y15-M492 HydrophobicContact CG-CE 4.41Å; Y15-S496 WeakPolarHBondContact OH-CB 3.14Å; Y15-S496 PolarHBondContact OH-OG 2.94Å |
| 16 | V | 98.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.7 | 172.3 | 176.1 | 0 | 0 | 0 | 0 | 109 | F13 I18 A59 I61 I129 K133 L134 C135 | F13-V16 HydrophobicContact CB-CG2 3.8Å; F13-V16 HydrophobicContact CG-CG2 4.47Å; V16-I18 HydrophobicContact CG1-CD1 3.69Å; V16-I18 HydrophobicContact CG1-CG1 4.47Å; V16-A59 CarbonylContact C-O 3.54Å; V16-A59 WeakPolarHBondContact CA-O 3.48Å; V16-A59 HydrophobicContact CG2-CB 4.3Å; V16-I61 HydrophobicContact CG1-CD1 3.83Å; V16-I61 HydrophobicContact CG1-CG1 4.29Å; V16-I129 HydrophobicContact CG2-CG2 3.84Å; V16-K133 PolarHBondContact N-O 2.87Å; V16-L134 HydrophobicContact CB-CD1 3.87Å; V16-L134 HydrophobicContact CG1-CD1 3.66Å; V16-L134 CarbonylContact O-C 3.5Å; V16-L134 VanDerWaalsContact O-CA 3.28Å; V16-L134 WeakPolarHBondContact O-CA 3.3Å; V16-C135 PolarHBondContact O-N 3.15Å |
| 17 | I | 98.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.1 | 177.2 | -56.8 | 91.2 | 0 | 0 | 0 | 108.5 | A28 L31 V58 A59 L60 I61 C135 T137 | I17-A28 HydrophobicContact CD1-CB 4.19Å; I17-L31 HydrophobicContact CD1-CD1 3.95Å; I17-L31 HydrophobicContact CG1-CD1 4.46Å; I17-V58 HydrophobicContact CD1-CG1 3.48Å; I17-V58 VanDerWaalsContact CD1-CG1 3.48Å; I17-A59 PolarHBondContact N-O 3.34Å; I17-L60 HydrophobicContact CB-CD1 3.75Å; I17-L60 HydrophobicContact CG2-CD1 3.59Å; I17-I61 PolarHBondContact O-N 2.9Å; I17-C135 CarbonylContact C-O 3.47Å; I17-C135 WeakPolarHBondContact CA-O 3.28Å; I17-C135 HydrophobicContact CG1-CB 4.3Å; I17-C135 HydrophobicContact CG2-CB 4.47Å; I17-T137 HydrophobicContact CG2-CG2 4.18Å; I17-T137 WeakPolarHBondContact CG2-OG1 3.44Å |
| 18 | I | 97.7 | Very high | 93 | Very high | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.046 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 102.5 | -178.2 | -50.8 | -60.4 | 0 | 0 | 0 | 110.5 | V16 I61 M108 V118 L134 C135 L136 T137 T138 | V16-I18 HydrophobicContact CG1-CD1 3.69Å; V16-I18 HydrophobicContact CG1-CG1 4.47Å; I18-I61 HydrophobicContact CD1-CB 3.83Å; I18-I61 HydrophobicContact CD1-CD1 3.68Å; I18-I61 HydrophobicContact CD1-CG1 4.03Å; I18-I61 HydrophobicContact CD1-CG2 4.44Å; I18-M108 HydrophobicContact CD1-SD 4.43Å; I18-M108 HydrophobicContact CG1-SD 4.18Å; I18-M108 HydrophobicContact CG2-CB 4.06Å; I18-M108 HydrophobicContact CG2-CE 4.32Å; I18-M108 HydrophobicContact CG2-SD 4.25Å; I18-V118 HydrophobicContact CD1-CG1 4.15Å; I18-L134 HydrophobicContact CD1-CD1 4.1Å; I18-L134 HydrophobicContact CG1-CD1 3.64Å; I18-C135 PolarHBondContact N-O 3.36Å; I18-L136 HydrophobicContact CB-CD2 4.09Å; I18-L136 HydrophobicContact CG1-CD2 3.94Å; I18-T137 CarbonylContact O-C 3.56Å; I18-T137 WeakPolarHBondContact O-CA 3.4Å; I18-T137 PolarHBondContact O-N 3.5Å; I18-T137 PolarHBondContact O-OG1 2.87Å; I18-T138 HydrophobicContact CG2-CG2 4.04Å; I18-T138 PolarHBondContact O-N 3.37Å |
| 19 | G | 95.1 | Very high | 94.8 | Very high | 14 Ų | 14 | 17 Ų | 17 | 14% | 0.144 | 10% | 0.104 | C | C | . | . | trans | 124 | 119.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G21 G24 I61 T137 | G19-G21 PolarHBondContact O-N 3.07Å; G19-G21 VanDerWaalsContact O-N 3.13Å; G19-G24 WeakPolarHBondContact O-CA 3.4Å; G19-I61 PolarHBondContact N-O 2.75Å; G19-T137 PolarHBondContact O-OG1 3.49Å; G19-T137 VanDerWaalsContact O-OG1 3.13Å | ||
| 20 | G | 92.6 | Very high | 96 | Very high | 10 Ų | 10 | 14 Ų | 14 | 10% | 0.103 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -81.6 | 26.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K68 | G20-K68 PolarHBondContact O-N 2.87Š|
| 21 | G | 92.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 11.4 Ų | 11.4 | 25% | 0.247 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -84.8 | -179.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G19 A23 G24 V25 | G19-G21 PolarHBondContact O-N 3.07Å; G19-G21 VanDerWaalsContact O-N 3.13Å; G21-A23 PolarHBondContact O-N 2.64Å; G21-G24 PolarHBondContact O-N 3.25Å; G21-V25 WeakPolarHBondContact O-CG2 3.28Å; G21-V25 PolarHBondContact O-N 2.66Å |
| 22 | I | 93.8 | Very high | 96.8 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 5% | 0.046 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -50.7 | -51.2 | -175.7 | -58.9 | -61.9 | 0 | 0 | 0 | 112.7 | G24 V25 V26 K68 T70 V85 W478 A481 R482 | I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.44Å; I22-V25 PolarHBondContact O-N 3.08Å; I22-V26 HydrophobicContact CG2-CG2 4.21Å; I22-V26 WeakPolarHBondContact O-CB 3.44Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 2.85Å; I22-K68 HydrophobicContact CD1-CB 3.79Å; I22-K68 HydrophobicContact CG1-CB 4.44Å; I22-T70 HydrophobicContact CD1-CG2 4.05Å; I22-T70 HydrophobicContact CG2-CG2 4.28Å; I22-V85 HydrophobicContact CD1-CB 4.45Å; I22-V85 HydrophobicContact CD1-CG1 3.94Å; I22-V85 HydrophobicContact CD1-CG2 3.59Å; I22-V85 HydrophobicContact CG1-CG2 4.46Å; I22-W478 HydrophobicContact CG1-CB 4.42Å; I22-W478 HydrophobicContact CG1-CD2 4.32Å; I22-W478 HydrophobicContact CG1-CG 4.14Å; I22-A481 HydrophobicContact CB-CB 4.43Å; I22-A481 HydrophobicContact CG2-CB 4.45Å; I22-R482 HydrophobicContact CG2-CB 3.96Å |
| 23 | A | 97.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 6% | 0.058 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G21 C27 T137 A458 A481 G485 | G21-A23 PolarHBondContact O-N 2.64Å; A23-C27 WeakPolarHBondContact O-CB 3.32Å; A23-C27 PolarHBondContact O-N 3.18Å; A23-T137 HydrophobicContact CB-CG2 4.06Å; A23-A458 HydrophobicContact CB-CB 4.28Å; A23-A481 VanDerWaalsContact CA-O 3.29Å; A23-A481 WeakPolarHBondContact CA-O 3.22Å; A23-A481 HydrophobicContact CB-CB 4.16Å; A23-A481 VanDerWaalsContact CB-O 3.26Å; A23-A481 WeakPolarHBondContact CB-O 3.32Å; A23-G485 WeakPolarHBondContact O-CA 3.38Å |
| 24 | G | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73 | -39.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | G19 G21 I22 C27 A28 T137 | G19-G24 WeakPolarHBondContact O-CA 3.4Å; G21-G24 PolarHBondContact O-N 3.25Å; I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.44Å; G24-C27 PolarHBondContact O-N 3.33Å; G24-A28 WeakPolarHBondContact O-CB 3.36Å; G24-A28 PolarHBondContact O-N 3.05Å; G24-T137 WeakPolarHBondContact CA-OG1 3.17Å |
| 25 | V | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.4 | -53.8 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | G21 I22 C27 A28 E29 L60 V67 K68 T69 W93 | G21-V25 WeakPolarHBondContact O-CG2 3.28Å; G21-V25 PolarHBondContact O-N 2.66Å; I22-V25 PolarHBondContact O-N 3.08Å; V25-C27 VanDerWaalsContact C-N 3.27Å; V25-C27 PolarHBondContact O-N 3.12Å; V25-A28 PolarHBondContact O-N 2.87Å; V25-E29 HydrophobicContact CG1-CG 4.2Å; V25-E29 WeakPolarHBondContact O-CG 3.41Å; V25-E29 PolarHBondContact O-N 2.93Å; V25-L60 HydrophobicContact CG2-CD2 4.48Å; V25-V67 HydrophobicContact CG2-CB 3.77Å; V25-V67 HydrophobicContact CG2-CG1 4.42Å; V25-K68 WeakPolarHBondContact CB-O 3.4Å; V25-K68 WeakPolarHBondContact CG2-O 3.31Å; V25-T69 HydrophobicContact CG1-CG2 4.04Å; V25-W93 HydrophobicContact CB-CZ2 4.5Å; V25-W93 HydrophobicContact CG1-CZ2 3.77Å |
| 26 | V | 97.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.03 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.8 | -40.5 | 179.1 | 173 | 0 | 0 | 0 | 0 | 111.3 | I22 E29 T30 R482 F486 | I22-V26 HydrophobicContact CG2-CG2 4.21Å; I22-V26 WeakPolarHBondContact O-CB 3.44Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 2.85Å; V26-E29 PolarHBondContact O-N 3.39Å; V26-T30 VanDerWaalsContact O-CB 3.26Å; V26-T30 WeakPolarHBondContact O-CB 3.18Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.32Å; V26-R482 HydrophobicContact CG1-CG 4.06Å; V26-R482 HydrophobicContact CG2-CB 4.23Å; V26-R482 HydrophobicContact CG2-CG 3.83Å; V26-F486 HydrophobicContact CG1-CB 4.02Å |
| 27 | C | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60 | -47 | 175.4 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | A23 G24 V25 L31 G485 A489 | A23-C27 WeakPolarHBondContact O-CB 3.32Å; A23-C27 PolarHBondContact O-N 3.18Å; G24-C27 PolarHBondContact O-N 3.33Å; V25-C27 VanDerWaalsContact C-N 3.27Å; V25-C27 PolarHBondContact O-N 3.12Å; C27-L31 WeakPolarHBondContact O-CB 3.21Å; C27-L31 WeakPolarHBondContact O-CG 3.35Å; C27-L31 PolarHBondContact O-N 2.63Å; C27-G485 WeakPolarHBondContact CA-O 3.1Å; C27-G485 WeakPolarHBondContact CB-O 3.45Å; C27-A489 WeakPolarHBondContact O-CB 3.5Å |
| 28 | A | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | I17 G24 V25 L31 C32 W93 L101 | I17-A28 HydrophobicContact CD1-CB 4.19Å; G24-A28 WeakPolarHBondContact O-CB 3.36Å; G24-A28 PolarHBondContact O-N 3.05Å; V25-A28 PolarHBondContact O-N 2.87Å; A28-L31 PolarHBondContact O-N 2.63Å; A28-C32 WeakPolarHBondContact O-CB 3.47Å; A28-C32 PolarHBondContact O-N 3.01Å; A28-C32 PolarHBondContact O-SG 2.87Å; A28-W93 HydrophobicContact CB-CH2 3.83Å; A28-W93 HydrophobicContact CB-CZ2 4.47Å; A28-L101 HydrophobicContact CB-CD1 4.39Å |
| 29 | E | 96.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 34.1 Ų | 34.1 | 18% | 0.178 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -50.7 | 176.8 | -63.8 | -179.3 | 149.6 | 0 | 0 | 110.2 | V25 V26 L31 C32 E33 W93 W97 | V25-E29 HydrophobicContact CG1-CG 4.2Å; V25-E29 WeakPolarHBondContact O-CG 3.41Å; V25-E29 PolarHBondContact O-N 2.93Å; V26-E29 PolarHBondContact O-N 3.39Å; E29-L31 VanDerWaalsContact C-N 3.35Å; E29-L31 PolarHBondContact O-N 3.49Å; E29-C32 PolarHBondContact O-N 3.1Å; E29-C32 VanDerWaalsContact O-N 3.1Å; E29-E33 WeakPolarHBondContact O-CG 3.38Å; E29-E33 PolarHBondContact O-N 2.71Å; E29-W93 HydrophobicContact CG-CZ2 3.6Å; E29-W93 PolarHBondContact OE1-NE1 2.8Å; E29-W97 HydrophobicContact CB-CH2 3.97Å; E29-W97 HydrophobicContact CB-CZ2 4.41Å; E29-W97 HydrophobicContact CG-CH2 3.67Å; E29-W97 HydrophobicContact CG-CZ3 4.12Å |
| 30 | T | 96.9 | Very high | 89 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | -179.8 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | V26 C32 E33 L34 F486 A489 | V26-T30 VanDerWaalsContact O-CB 3.26Å; V26-T30 WeakPolarHBondContact O-CB 3.18Å; V26-T30 PolarHBondContact O-N 2.83Å; V26-T30 PolarHBondContact O-OG1 3.32Å; T30-C32 PolarHBondContact O-N 3.04Å; T30-E33 PolarHBondContact O-N 3.14Å; T30-L34 HydrophobicContact CG2-CD1 4Å; T30-L34 HydrophobicContact CG2-CG 4.4Å; T30-L34 WeakPolarHBondContact O-CB 3.27Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.39Å; T30-L34 PolarHBondContact O-N 3.13Å; T30-F486 HydrophobicContact CG2-CD2 3.69Å; T30-F486 HydrophobicContact CG2-CE2 4Å; T30-A489 HydrophobicContact CG2-CB 3.61Å |
| 31 | L | 97.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 175 | -80.8 | 166.4 | 0 | 0 | 0 | 111.8 | Y15 I17 C27 A28 E29 E33 L34 L35 V58 A489 M492 F493 | Y15-L31 HydrophobicContact CD1-CD1 4.27Å; Y15-L31 HydrophobicContact CD1-CD2 3.88Å; Y15-L31 HydrophobicContact CD2-CD2 4.34Å; Y15-L31 HydrophobicContact CE1-CD2 3.92Å; Y15-L31 HydrophobicContact CE2-CD2 4.37Å; Y15-L31 HydrophobicContact CG-CD1 4.05Å; Y15-L31 HydrophobicContact CG-CD2 4.07Å; I17-L31 HydrophobicContact CD1-CD1 3.95Å; I17-L31 HydrophobicContact CG1-CD1 4.46Å; C27-L31 WeakPolarHBondContact O-CB 3.21Å; C27-L31 WeakPolarHBondContact O-CG 3.35Å; C27-L31 PolarHBondContact O-N 2.63Å; A28-L31 PolarHBondContact O-N 2.63Å; E29-L31 VanDerWaalsContact C-N 3.35Å; E29-L31 PolarHBondContact O-N 3.49Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.29Å; L31-L34 PolarHBondContact O-N 3.45Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 WeakPolarHBondContact O-CG 3.35Å; L31-L35 PolarHBondContact O-N 2.87Å; L31-V58 HydrophobicContact CB-CG2 4.39Å; L31-A489 HydrophobicContact CD2-CB 4.42Å; L31-A489 WeakPolarHBondContact CD2-O 3.48Å; L31-A489 HydrophobicContact CG-CB 3.85Å; L31-M492 HydrophobicContact CD1-CE 4.05Å; L31-M492 HydrophobicContact CD2-CB 4.37Å; L31-F493 HydrophobicContact CD2-CB 4.1Å |
| 32 | C | 95.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | -180 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | A28 E29 T30 L35 N36 W97 | A28-C32 WeakPolarHBondContact O-CB 3.47Å; A28-C32 PolarHBondContact O-N 3.01Å; A28-C32 PolarHBondContact O-SG 2.87Å; E29-C32 PolarHBondContact O-N 3.1Å; E29-C32 VanDerWaalsContact O-N 3.1Å; T30-C32 PolarHBondContact O-N 3.04Å; C32-L35 PolarHBondContact O-N 2.83Å; C32-N36 WeakPolarHBondContact O-CB 3.48Å; C32-N36 PolarHBondContact O-N 3.45Å; C32-W97 HydrophobicContact CB-CB 4.25Å; C32-W97 HydrophobicContact CB-CD2 3.62Å; C32-W97 HydrophobicContact CB-CE3 4.37Å; C32-W97 HydrophobicContact CB-CG 3.54Å; C32-W97 HydrophobicContact CB-CZ2 4.4Å |
| 33 | E | 93 | Very high | 82.6 | Confident | 115 Ų | 115 | 50.5 Ų | 50.5 | 54% | 0.537 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -38.7 | 174.8 | -71.9 | 176.8 | 176.6 | 0 | 0 | 112.8 | E29 T30 L31 N36 P37 W97 | E29-E33 WeakPolarHBondContact O-CG 3.38Å; E29-E33 PolarHBondContact O-N 2.71Å; T30-E33 PolarHBondContact O-N 3.14Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 3.29Å; E33-N36 CarbonylContact O-C 3.3Å; E33-N36 VanDerWaalsContact O-C 3.29Å; E33-P37 VanDerWaalsContact O-CA 3.23Å; E33-P37 WeakPolarHBondContact O-CA 3.33Å; E33-P37 VanDerWaalsContact O-N 3.12Å; E33-W97 HydrophobicContact CG-CZ2 4.31Å |
| 34 | L | 93.5 | Very high | 80.1 | Confident | 53 Ų | 53 | 52.5 Ų | 52.5 | 28% | 0.277 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.7 | -35.4 | 175.6 | -71.4 | 171.8 | 0 | 0 | 0 | 112.3 | T30 L31 F493 | T30-L34 HydrophobicContact CG2-CD1 4Å; T30-L34 HydrophobicContact CG2-CG 4.4Å; T30-L34 WeakPolarHBondContact O-CB 3.27Å; T30-L34 VanDerWaalsContact O-CG 3.23Å; T30-L34 WeakPolarHBondContact O-CG 3.39Å; T30-L34 PolarHBondContact O-N 3.13Å; L31-L34 PolarHBondContact O-N 3.45Å; L34-F493 HydrophobicContact CB-CD1 4.34Å; L34-F493 HydrophobicContact CB-CD2 3.67Å; L34-F493 HydrophobicContact CB-CE1 4.32Å; L34-F493 HydrophobicContact CB-CE2 3.61Å; L34-F493 HydrophobicContact CB-CG 4.01Å; L34-F493 HydrophobicContact CB-CZ 3.94Å; L34-F493 HydrophobicContact CD1-CB 3.88Å; L34-F493 HydrophobicContact CD1-CD1 4.18Å; L34-F493 HydrophobicContact CD1-CD2 4.36Å; L34-F493 HydrophobicContact CD1-CG 3.91Å; L34-F493 WeakPolarHBondContact O-CE2 3.2Å; L34-F493 WeakPolarHBondContact O-CZ 3.4Å |
| 35 | L | 91.8 | Very high | 77.5 | Confident | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -74.6 | -36.7 | 177 | -71 | 171.2 | 0 | 0 | 0 | 112.7 | Y15 L31 C32 P37 Y53 K56 V58 T100 F493 | Y15-L35 HydrophobicContact CD2-CD1 4.13Å; Y15-L35 HydrophobicContact CE2-CD1 3.85Å; Y15-L35 HydrophobicContact CE2-CD2 4.05Å; Y15-L35 HydrophobicContact CE2-CG 4.37Å; L31-L35 WeakPolarHBondContact O-CB 3.34Å; L31-L35 WeakPolarHBondContact O-CG 3.35Å; L31-L35 PolarHBondContact O-N 2.87Å; C32-L35 PolarHBondContact O-N 2.83Å; L35-P37 WeakPolarHBondContact O-CD 3.49Å; L35-Y53 HydrophobicContact CD2-CD1 3.86Å; L35-Y53 HydrophobicContact CD2-CE1 4.13Å; L35-K56 HydrophobicContact CD1-CB 4.2Å; L35-K56 HydrophobicContact CD2-CB 3.83Å; L35-K56 HydrophobicContact CD2-CD 3.52Å; L35-K56 HydrophobicContact CD2-CG 4.24Å; L35-V58 HydrophobicContact CD1-CG2 3.65Å; L35-T100 HydrophobicContact CD1-CG2 4.16Å; L35-F493 HydrophobicContact CD2-CD2 4.17Å; L35-F493 HydrophobicContact CD2-CE2 3.91Å; L35-F493 HydrophobicContact CG-CD2 4.44Å; L35-F493 HydrophobicContact CG-CE2 4.3Å |
| 36 | N | 85.7 | Confident | 75 | Confident | 77 Ų | 77 | 63.3 Ų | 63.3 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -123.2 | 66.4 | -179.4 | -61.9 | -64.9 | 0 | 0 | 0 | 110.3 | C32 E33 S38 T100 | C32-N36 WeakPolarHBondContact O-CB 3.48Å; C32-N36 PolarHBondContact O-N 3.45Å; E33-N36 CarbonylContact O-C 3.3Å; E33-N36 VanDerWaalsContact O-C 3.29Å; N36-S38 PolarHBondContact O-N 3.14Å; N36-T100 PolarHBondContact ND2-OG1 3.26Å |
| 37 | P | 76.7 | Confident | 72.6 | Confident | 45 Ų | 45 | 68 Ų | 68 | 29% | 0.292 | 38% | 0.377 | S | S | . | . | trans | -59.6 | 130.2 | -178.6 | 24.4 | -32.9 | 0 | 0 | 0 | 109.4 | E33 L35 | E33-P37 VanDerWaalsContact O-CA 3.23Å; E33-P37 WeakPolarHBondContact O-CA 3.33Å; E33-P37 VanDerWaalsContact O-N 3.12Å; L35-P37 WeakPolarHBondContact O-CD 3.49Å | ||
| 38 | S | 67.2 | Low | 70.1 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | trans | -56.8 | 152.3 | 174.4 | 76 | 0 | 0 | 0 | 0 | 109.6 | N36 F40 S41 | N36-S38 PolarHBondContact O-N 3.14Å; S38-F40 PolarHBondContact O-N 3.41Å; S38-S41 WeakPolarHBondContact O-CB 3.35Å; S38-S41 PolarHBondContact O-N 3.48Å; S38-S41 PolarHBondContact OG-N 2.73Å | ||
| 39 | R | 53.3 | Low | 67.7 | Low | 230 Ų | 230 | 75.5 Ų | 75.5 | 87% | 0.868 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -18.7 | 178 | -66.9 | -169.5 | -173.2 | -171.7 | 3.6 | 113.4 | ||
| 40 | F | 54.6 | Low | 65.3 | Low | 199 Ų | 199 | 81.4 Ų | 81.4 | 87% | 0.873 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.8 | 178.3 | -61.9 | -74 | 0 | 0 | 0 | 113.6 | S38 G42 | S38-F40 PolarHBondContact O-N 3.41Å; F40-G42 PolarHBondContact O-N 3.02Å |
| 41 | S | 49.2 | Very low | 62.7 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | trans | -72.4 | 100.9 | 170.1 | -168.8 | 0 | 0 | 0 | 0 | 107.8 | S38 A43 | S38-S41 WeakPolarHBondContact O-CB 3.35Å; S38-S41 PolarHBondContact O-N 3.48Å; S38-S41 PolarHBondContact OG-N 2.73Å; S41-A43 PolarHBondContact O-N 3.33Å | ||
| 42 | G | 47.5 | Very low | 60.4 | Low | 69 Ų | 69 | 93.3 Ų | 93.3 | 71% | 0.711 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 1.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F40 | F40-G42 PolarHBondContact O-N 3.02Š|
| 43 | A | 48 | Very low | 58.3 | Low | 75 Ų | 75 | 95.1 Ų | 95.1 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S41 | S41-A43 PolarHBondContact O-N 3.33Š|
| 44 | L | 46.7 | Very low | 56.5 | Low | 49 Ų | 49 | 92.9 Ų | 92.9 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | trans | -143 | 82.6 | 177.3 | -78.8 | 103 | 0 | 0 | 0 | 112.9 | D49 Y53 | L44-D49 HydrophobicContact CD2-CB 4.17Å; L44-Y53 HydrophobicContact CD2-CE2 3.83Å | ||
| 45 | Q | 43.7 | Very low | 55.7 | Low | 182 Ų | 182 | 95.7 Ų | 95.7 | 85% | 0.85 | 54% | 0.54 | S | S | * | . | trans | -91.5 | 3 | 164.9 | -70 | -168.1 | 13.9 | 0 | 0 | 113.8 | S47 | Q45-S47 PolarHBondContact O-N 2.96Š| ||
| 46 | S | 43.8 | Very low | 55.6 | Low | 45 Ų | 45 | 97.1 Ų | 97.1 | 32% | 0.315 | 55% | 0.546 | S | S | . | . | trans | -68.4 | 100.7 | 169.3 | 161 | 0 | 0 | 0 | 0 | 109.3 | S48 D49 | S46-S48 PolarHBondContact O-N 3.32Å; S46-S48 PolarHBondContact OG-OG 2.71Å; S46-S48 VanDerWaalsContact OG-OG 3.05Å; S46-D49 WeakPolarHBondContact CB-OD2 3.25Å; S46-D49 PolarHBondContact O-N 2.75Å; S46-D49 VanDerWaalsContact OG-CG 3.32Å; S46-D49 PolarHBondContact OG-OD2 2.82Å | ||
| 47 | S | 46.9 | Very low | 56.1 | Low | 103 Ų | 103 | 96.5 Ų | 96.5 | 72% | 0.72 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -20.2 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 113.1 | Q45 | Q45-S47 PolarHBondContact O-N 2.96Š|
| 48 | S | 46.3 | Very low | 57.1 | Low | 88 Ų | 88 | 94.4 Ų | 94.4 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -32 | 174.8 | 37.4 | 0 | 0 | 0 | 0 | 113.5 | S46 | S46-S48 PolarHBondContact O-N 3.32Å; S46-S48 PolarHBondContact OG-OG 2.71Å; S46-S48 VanDerWaalsContact OG-OG 3.05Å |
| 49 | D | 47.9 | Very low | 58.6 | Low | 71 Ų | 71 | 91 Ų | 91 | 38% | 0.38 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -81.4 | -21.4 | -175.8 | -67.3 | -41.7 | 0 | 0 | 0 | 113.5 | L44 S46 L51 N52 Y53 | L44-D49 HydrophobicContact CD2-CB 4.17Å; S46-D49 WeakPolarHBondContact CB-OD2 3.25Å; S46-D49 PolarHBondContact O-N 2.75Å; S46-D49 VanDerWaalsContact OG-CG 3.32Å; S46-D49 PolarHBondContact OG-OD2 2.82Å; D49-L51 PolarHBondContact O-N 2.99Å; D49-L51 VanDerWaalsContact O-N 3.15Å; D49-N52 PolarHBondContact O-N 3.1Å; D49-Y53 HydrophobicContact CB-CE2 4.36Å; D49-Y53 VanDerWaalsContact O-CD2 3.24Å; D49-Y53 WeakPolarHBondContact O-CD2 3.47Å |
| 50 | R | 45.3 | Very low | 60.7 | Low | 161 Ų | 161 | 80 Ų | 80 | 61% | 0.608 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -59.3 | -27.2 | 175.3 | -69.1 | -165.8 | -174.7 | -158.6 | 0.8 | 112.8 | N52 | R50-N52 VanDerWaalsContact C-N 3.27Å; R50-N52 PolarHBondContact O-N 2.67Å |
| 51 | L | 43.2 | Very low | 62.7 | Low | 146 Ų | 146 | 70.6 Ų | 70.6 | 76% | 0.764 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -67.2 | -28.1 | 177.9 | -117 | 84.1 | 0 | 0 | 0 | 112.6 | D49 | D49-L51 PolarHBondContact O-N 2.99Å; D49-L51 VanDerWaalsContact O-N 3.15Å |
| 52 | N | 49.4 | Very low | 64.9 | Low | 117 Ų | 117 | 68 Ų | 68 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -16.8 | -178.3 | -89.9 | -7.7 | 0 | 0 | 0 | 114.3 | D49 R50 A54 | D49-N52 PolarHBondContact O-N 3.1Å; R50-N52 VanDerWaalsContact C-N 3.27Å; R50-N52 PolarHBondContact O-N 2.67Å; N52-A54 VanDerWaalsContact C-N 3.27Å |
| 53 | Y | 51.1 | Low | 66.9 | Low | 37 Ų | 37 | 68.4 Ų | 68.4 | 15% | 0.145 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -79.9 | -10.3 | 174 | -69.8 | -73.8 | 0 | 0 | 0 | 113.4 | L35 L44 D49 S55 F493 | L35-Y53 HydrophobicContact CD2-CD1 3.86Å; L35-Y53 HydrophobicContact CD2-CE1 4.13Å; L44-Y53 HydrophobicContact CD2-CE2 3.83Å; D49-Y53 HydrophobicContact CB-CE2 4.36Å; D49-Y53 VanDerWaalsContact O-CD2 3.24Å; D49-Y53 WeakPolarHBondContact O-CD2 3.47Å; Y53-S55 PolarHBondContact O-N 3.4Å; Y53-F493 AromaticContact CE1-CE2 3.58Å; Y53-F493 HydrophobicContact CE1-CE2 3.58Å; Y53-F493 AromaticContact CE1-CZ 3.61Å; Y53-F493 HydrophobicContact CE1-CZ 3.61Å; Y53-F493 AromaticContact CZ-CZ 3.79Å; Y53-F493 WeakPolarHBondContact OH-CZ 3.39Å |
| 54 | A | 55.1 | Low | 68.8 | Low | 69 Ų | 69 | 67.4 Ų | 67.4 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 113.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | N52 | N52-A54 VanDerWaalsContact C-N 3.27Š|
| 55 | S | 76.5 | Confident | 70.7 | Confident | 111 Ų | 111 | 73 Ų | 73 | 78% | 0.776 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 20.8 | 168.4 | 70.3 | 0 | 0 | 0 | 0 | 119.8 | Y53 | Y53-S55 PolarHBondContact O-N 3.4Š|
| 56 | K | 90.3 | Very high | 72.8 | Confident | 35 Ų | 35 | 66.2 Ų | 66.2 | 15% | 0.152 | 38% | 0.377 | C | S | . | . | trans | -68.6 | 135.4 | 168.3 | -74.2 | -169.7 | 174 | -179.2 | 0 | 111.3 | D14 Y15 L35 S496 | D14-K56 HydrophobicContact CB-CB 4.37Å; D14-K56 HydrophobicContact CB-CG 4.44Å; D14-K56 WeakPolarHBondContact OD2-CA 3.41Å; Y15-K56 HydrophobicContact CE2-CD 4.21Å; L35-K56 HydrophobicContact CD1-CB 4.2Å; L35-K56 HydrophobicContact CD2-CB 3.83Å; L35-K56 HydrophobicContact CD2-CD 3.52Å; L35-K56 HydrophobicContact CD2-CG 4.24Å; K56-S496 PolarHBondContact NZ-OG 2.88Å | ||
| 57 | R | 95.1 | Very high | 75 | Confident | 65 Ų | 65 | 64.1 Ų | 64.1 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | trans | -115.4 | 135.7 | -175.4 | -60.7 | 174.3 | 67.1 | -155.2 | 3.7 | 112 | D9 S10 H12 F13 D14 Y15 | D9-R57 PolarHBondContact O-NH1 3.43Å; S10-R57 PolarHBondContact O-NH1 2.94Å; S10-R57 PolarHBondContact O-NH2 3.23Å; S10-R57 VanDerWaalsContact O-NH2 3.17Å; H12-R57 PolarHBondContact O-NH1 3.2Å; F13-R57 HydrophobicContact CD1-CB 3.68Å; F13-R57 HydrophobicContact CE1-CB 4.31Å; F13-R57 HydrophobicContact CG-CB 4.49Å; F13-R57 VanDerWaalsContact CZ-NH2 3.3Å; D14-R57 PolarHBondContact N-O 3.37Å; D14-R57 PolarHBondContact OD2-N 2.94Å; Y15-R57 PolarHBondContact N-O 3.47Å; Y15-R57 VanDerWaalsContact N-O 3.14Å | ||
| 58 | V | 97.8 | Very high | 76.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | Y15 I17 L31 L35 T100 L101 T102 | Y15-V58 HydrophobicContact CD2-CG2 3.97Å; Y15-V58 CarbonylContact O-C 3.52Å; Y15-V58 WeakPolarHBondContact O-CA 3.45Å; I17-V58 HydrophobicContact CD1-CG1 3.48Å; I17-V58 VanDerWaalsContact CD1-CG1 3.48Å; L31-V58 HydrophobicContact CB-CG2 4.39Å; L35-V58 HydrophobicContact CD1-CG2 3.65Å; V58-T100 HydrophobicContact CG2-CG2 4.22Å; V58-T100 PolarHBondContact N-O 3.01Å; V58-L101 HydrophobicContact CB-CD1 4.04Å; V58-L101 HydrophobicContact CG1-CD1 3.76Å; V58-L101 CarbonylContact O-C 3.59Å; V58-L101 WeakPolarHBondContact O-CA 3.46Å; V58-T102 PolarHBondContact O-N 2.82Å |
| 59 | A | 98 | Very high | 78.8 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F13 Y15 V16 I17 T102 I104 | F13-A59 HydrophobicContact CB-CB 4.31Å; F13-A59 HydrophobicContact CD1-CB 3.54Å; F13-A59 HydrophobicContact CD2-CB 3.99Å; F13-A59 HydrophobicContact CE1-CB 3.73Å; F13-A59 HydrophobicContact CE2-CB 4.17Å; F13-A59 HydrophobicContact CG-CB 3.67Å; F13-A59 HydrophobicContact CZ-CB 4.03Å; Y15-A59 PolarHBondContact O-N 3.37Å; V16-A59 CarbonylContact C-O 3.54Å; V16-A59 WeakPolarHBondContact CA-O 3.48Å; V16-A59 HydrophobicContact CG2-CB 4.3Å; I17-A59 PolarHBondContact N-O 3.34Å; A59-T102 CarbonylContact C-O 3.59Å; A59-T102 VanDerWaalsContact CA-O 3.27Å; A59-T102 WeakPolarHBondContact CA-O 3.35Å; A59-I104 HydrophobicContact CB-CD1 4.49Å |
| 60 | L | 98.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.8 | 164.9 | -178.8 | 74.3 | 0 | 0 | 0 | 108.9 | I17 V25 V67 W93 L101 T102 V103 I104 | I17-L60 HydrophobicContact CB-CD1 3.75Å; I17-L60 HydrophobicContact CG2-CD1 3.59Å; V25-L60 HydrophobicContact CG2-CD2 4.48Å; L60-V67 HydrophobicContact CD2-CG1 3.69Å; L60-W93 HydrophobicContact CB-CZ3 4.44Å; L60-W93 HydrophobicContact CD2-CE3 4.44Å; L60-W93 HydrophobicContact CD2-CH2 3.72Å; L60-W93 HydrophobicContact CD2-CZ3 3.42Å; L60-W93 VanDerWaalsContact CD2-CZ3 3.42Å; L60-L101 HydrophobicContact CB-CD1 4.44Å; L60-T102 PolarHBondContact N-O 2.95Å; L60-V103 HydrophobicContact CB-CG2 4.38Å; L60-V103 WeakPolarHBondContact O-CA 3.26Å; L60-I104 PolarHBondContact O-N 2.8Å |
| 61 | I | 97.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.5 | 178.3 | -52.7 | -175.1 | 0 | 0 | 0 | 108.2 | V16 I17 I18 G19 I104 D106 V118 L120 I129 | V16-I61 HydrophobicContact CG1-CD1 3.83Å; V16-I61 HydrophobicContact CG1-CG1 4.29Å; I17-I61 PolarHBondContact O-N 2.9Å; I18-I61 HydrophobicContact CD1-CB 3.83Å; I18-I61 HydrophobicContact CD1-CD1 3.68Å; I18-I61 HydrophobicContact CD1-CG1 4.03Å; I18-I61 HydrophobicContact CD1-CG2 4.44Å; G19-I61 PolarHBondContact N-O 2.75Å; I61-I104 WeakPolarHBondContact CA-O 3.49Å; I61-I104 HydrophobicContact CG1-CB 4.34Å; I61-I104 HydrophobicContact CG1-CD1 4.44Å; I61-D106 WeakPolarHBondContact CG2-O 3.39Å; I61-V118 HydrophobicContact CD1-CG1 4.43Å; I61-L120 HydrophobicContact CD1-CD1 3.96Å; I61-L120 HydrophobicContact CD1-CD2 3.89Å; I61-L120 HydrophobicContact CD1-CG 4.48Å; I61-L120 HydrophobicContact CG2-CD1 4.15Å; I61-L120 HydrophobicContact CG2-CD2 3.8Å; I61-I129 HydrophobicContact CD1-CG1 4.31Å |
| 62 | S | 94 | Very high | 84.1 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.2 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 111 | S64 I104 C105 D106 | S62-S64 WeakPolarHBondContact CB-O 3.43Å; S62-S64 PolarHBondContact O-N 3.46Å; S62-S64 PolarHBondContact OG-N 2.79Å; S62-S64 PolarHBondContact OG-O 2.94Å; S62-S64 VanDerWaalsContact OG-O 3.12Å; S62-I104 PolarHBondContact N-O 2.86Å; S62-C105 CarbonylContact O-C 3.5Å; S62-C105 VanDerWaalsContact O-CA 3.27Å; S62-C105 WeakPolarHBondContact O-CA 3.39Å; S62-D106 CarbonylContact C-O 3.45Å; S62-D106 PolarHBondContact O-N 3.18Å |
| 63 | A | 90.4 | Very high | 85.8 | Confident | 76 Ų | 76 | 45.4 Ų | 45.4 | 63% | 0.628 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -71.5 | -12.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | D106 T107 | A63-D106 PolarHBondContact N-O 3.37Å; A63-T107 WeakPolarHBondContact CB-OG1 3.46Å |
| 64 | S | 87.3 | Confident | 87.4 | Confident | 54 Ų | 54 | 51.8 Ų | 51.8 | 38% | 0.378 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -111.1 | 151.7 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | S62 T66 | S62-S64 WeakPolarHBondContact CB-O 3.43Å; S62-S64 PolarHBondContact O-N 3.46Å; S62-S64 PolarHBondContact OG-N 2.79Å; S62-S64 PolarHBondContact OG-O 2.94Å; S62-S64 VanDerWaalsContact OG-O 3.12Å; S64-T66 PolarHBondContact O-N 2.75Å; S64-T66 PolarHBondContact OG-N 3Å; S64-T66 VanDerWaalsContact OG-N 3.16Å; S64-T66 PolarHBondContact OG-OG1 2.93Å |
| 65 | K | 87.2 | Confident | 88.9 | Confident | 167 Ų | 167 | 55 Ų | 55 | 73% | 0.726 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -66.8 | -22.9 | 170.6 | -65.6 | -178.6 | 179.5 | 179.5 | 0 | 112.5 | G90 | K65-G90 PolarHBondContact O-N 3.31Š|
| 66 | T | 88 | Confident | 89.2 | Confident | 39 Ų | 39 | 52 Ų | 52 | 24% | 0.239 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 152.3 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 111.3 | S64 E87 K88 | S64-T66 PolarHBondContact O-N 2.75Å; S64-T66 PolarHBondContact OG-N 3Å; S64-T66 VanDerWaalsContact OG-N 3.16Å; S64-T66 PolarHBondContact OG-OG1 2.93Å; T66-E87 HydrophobicContact CG2-CB 4.41Å; T66-E87 PolarHBondContact OG1-OE1 2.71Å; T66-K88 CarbonylContact C-O 3.29Å; T66-K88 WeakPolarHBondContact CA-O 3.41Å; T66-K88 WeakPolarHBondContact CB-O 3.39Å |
| 67 | V | 89.3 | Confident | 89 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.9 | 170.9 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | V25 L60 T69 E87 K88 W93 | V25-V67 HydrophobicContact CG2-CB 3.77Å; V25-V67 HydrophobicContact CG2-CG1 4.42Å; L60-V67 HydrophobicContact CD2-CG1 3.69Å; V67-T69 HydrophobicContact CG2-CG2 4.12Å; V67-E87 WeakPolarHBondContact O-CA 3.42Å; V67-K88 HydrophobicContact CG2-CB 4.42Å; V67-K88 PolarHBondContact N-O 2.89Å; V67-K88 PolarHBondContact O-N 2.94Å; V67-W93 HydrophobicContact CG1-CE3 4.3Å; V67-W93 HydrophobicContact CG1-CZ3 4.43Å; V67-W93 HydrophobicContact CG2-CB 4Å; V67-W93 HydrophobicContact CG2-CD2 3.83Å; V67-W93 HydrophobicContact CG2-CE3 3.92Å; V67-W93 HydrophobicContact CG2-CG 3.88Å |
| 68 | K | 87.5 | Confident | 88.5 | Confident | 37 Ų | 37 | 51.8 Ų | 51.8 | 16% | 0.161 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 105.1 | 178.4 | -63.8 | -175.3 | -178.4 | -179.1 | 0 | 110 | G20 I22 V25 V85 | G20-K68 PolarHBondContact O-N 2.87Å; I22-K68 HydrophobicContact CD1-CB 3.79Å; I22-K68 HydrophobicContact CG1-CB 4.44Å; V25-K68 WeakPolarHBondContact CB-O 3.4Å; V25-K68 WeakPolarHBondContact CG2-O 3.31Å; K68-V85 HydrophobicContact CB-CG1 3.98Å; K68-V85 HydrophobicContact CG-CG1 4.39Å |
| 69 | T | 85.6 | Confident | 87.9 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 141.4 | 178.6 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | V25 V67 E86 K88 W93 | V25-T69 HydrophobicContact CG1-CG2 4.04Å; V67-T69 HydrophobicContact CG2-CG2 4.12Å; T69-E86 PolarHBondContact N-O 3.23Å; T69-E86 PolarHBondContact O-N 3.23Å; T69-E86 PolarHBondContact OG1-O 3.35Å; T69-K88 HydrophobicContact CG2-CB 4.38Å; T69-K88 HydrophobicContact CG2-CD 4.13Å; T69-K88 HydrophobicContact CG2-CG 4.39Å; T69-W93 HydrophobicContact CG2-CG 4.3Å |
| 70 | T | 82.8 | Confident | 87.3 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 16% | 0.16 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 131.1 | 170.6 | 54.3 | 0 | 0 | 0 | 0 | 110 | I22 F83 D84 | I22-T70 HydrophobicContact CD1-CG2 4.05Å; I22-T70 HydrophobicContact CG2-CG2 4.28Å; T70-F83 HydrophobicContact CG2-CD2 3.46Å; T70-F83 VanDerWaalsContact CG2-CD2 3.46Å; T70-F83 HydrophobicContact CG2-CE2 3.66Å; T70-F83 HydrophobicContact CG2-CG 4.04Å; T70-F83 HydrophobicContact CG2-CZ 4.38Å; T70-D84 CarbonylContact C-O 3.5Å; T70-D84 WeakPolarHBondContact CA-O 3.21Å |
| 71 | V | 82.9 | Confident | 86.8 | Confident | 33 Ų | 33 | 54.5 Ų | 54.5 | 20% | 0.2 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.2 | 175.3 | -60.2 | 0 | 0 | 0 | 0 | 110 | L73 D84 E86 | V71-L73 PolarHBondContact O-N 2.96Å; V71-L73 VanDerWaalsContact O-N 3.12Å; V71-D84 HydrophobicContact CG2-CB 3.9Å; V71-D84 PolarHBondContact N-O 3.33Å; V71-D84 PolarHBondContact O-N 3.14Å; V71-E86 HydrophobicContact CG1-CB 4.03Å; V71-E86 WeakPolarHBondContact CG1-OE2 3.42Å; V71-E86 HydrophobicContact CG2-CB 4.05Å |
| 72 | N | 82.7 | Confident | 86.3 | Confident | 124 Ų | 124 | 55.2 Ų | 55.2 | 66% | 0.663 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 36.2 | -177.8 | -56.2 | -36.4 | 0 | 0 | 0 | 113.4 | R74 D84 | N72-R74 PolarHBondContact O-N 3.32Å; N72-D84 WeakPolarHBondContact CB-OD2 3.5Å; N72-D84 PolarHBondContact ND2-OD2 3.01Å |
| 73 | L | 84.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 113.9 | 177.9 | -171.4 | 153.7 | 0 | 0 | 0 | 109 | V71 T82 F83 | V71-L73 PolarHBondContact O-N 2.96Å; V71-L73 VanDerWaalsContact O-N 3.12Å; L73-T82 WeakPolarHBondContact CA-O 3.44Å; L73-F83 HydrophobicContact CB-CB 4.31Å |
| 74 | R | 84.7 | Confident | 85.6 | Confident | 171 Ų | 171 | 54.8 Ų | 54.8 | 65% | 0.645 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.3 | 176.2 | -179.9 | -168.9 | -57 | -92.8 | -1 | 107.8 | N72 E81 T82 | N72-R74 PolarHBondContact O-N 3.32Å; R74-E81 WeakPolarHBondContact O-CA 3.09Å; R74-T82 PolarHBondContact N-O 3.39Å; R74-T82 PolarHBondContact O-N 2.92Å |
| 75 | R | 85.6 | Confident | 85.4 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115.7 | 171.4 | -174 | 166.4 | 177.3 | 131.4 | -10.8 | 107.7 | S77 N78 | R75-S77 WeakPolarHBondContact CG-O 3.45Å; R75-S77 PolarHBondContact NE-O 3.41Å; R75-S77 VanDerWaalsContact NE-O 3.07Å; R75-N78 VanDerWaalsContact CZ-O 3.22Å; R75-N78 VanDerWaalsContact NH2-CA 3.3Å; R75-N78 PolarHBondContact NH2-O 2.86Å; R75-N78 PolarHBondContact NH2-OD1 3.45Å |
| 76 | I | 84.4 | Confident | 85.2 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | trans | -84.3 | -42.9 | 178.2 | -63.6 | -179.3 | 0 | 0 | 0 | 109.3 | I80 T82 E574 | I76-I80 HydrophobicContact CB-CB 4.09Å; I76-I80 HydrophobicContact CB-CG2 3.9Å; I76-I80 HydrophobicContact CD1-CG2 3.93Å; I76-I80 HydrophobicContact CG1-CG2 4.27Å; I76-I80 HydrophobicContact CG2-CG2 4.45Å; I76-I80 PolarHBondContact N-O 3.29Å; I76-T82 HydrophobicContact CD1-CG2 3.63Å; I76-T82 HydrophobicContact CG1-CG2 4.42Å; I76-E574 HydrophobicContact CG2-CB 3.98Å; I76-E574 HydrophobicContact CG2-CG 4.32Å | ||
| 77 | S | 86.1 | Confident | 85 | Confident | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -141.2 | -165.2 | -179.8 | 66.3 | 0 | 0 | 0 | 0 | 110 | R75 M79 I80 E578 | R75-S77 WeakPolarHBondContact CG-O 3.45Å; R75-S77 PolarHBondContact NE-O 3.41Å; R75-S77 VanDerWaalsContact NE-O 3.07Å; S77-M79 VanDerWaalsContact C-N 3.27Å; S77-M79 PolarHBondContact O-N 3.21Å; S77-M79 PolarHBondContact OG-N 2.96Å; S77-I80 PolarHBondContact N-O 3.36Å; S77-I80 WeakPolarHBondContact OG-CB 3.32Å; S77-I80 WeakPolarHBondContact OG-CD1 3.49Å; S77-I80 VanDerWaalsContact OG-CG1 3.28Å; S77-I80 WeakPolarHBondContact OG-CG1 3.37Å; S77-I80 PolarHBondContact OG-N 3.26Å; S77-E578 WeakPolarHBondContact CB-OE1 3.22Å; S77-E578 WeakPolarHBondContact CB-OE2 3.48Å; S77-E578 PolarHBondContact OG-OE1 3.44Å; S77-E578 VanDerWaalsContact OG-OE1 3.11Å; S77-E578 PolarHBondContact OG-OE2 2.95Å |
| 78 | N | 83.5 | Confident | 84.9 | Confident | 89 Ų | 89 | 55.3 Ų | 55.3 | 48% | 0.476 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -68.3 | -27.4 | 175.3 | -79.6 | -41.8 | 0 | 0 | 0 | 113.9 | R75 E578 | R75-N78 VanDerWaalsContact CZ-O 3.22Å; R75-N78 VanDerWaalsContact NH2-CA 3.3Å; R75-N78 PolarHBondContact NH2-O 2.86Å; R75-N78 PolarHBondContact NH2-OD1 3.45Å; N78-E578 PolarHBondContact N-OE1 3.11Å; N78-E578 VanDerWaalsContact N-OE1 3.14Å |
| 79 | M | 85 | Confident | 85 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -117.4 | -15.8 | -175.9 | -57.4 | -77.6 | -80.9 | 0 | 0 | 114.2 | S77 F506 S507 E509 L510 T512 E578 L582 | S77-M79 VanDerWaalsContact C-N 3.27Å; S77-M79 PolarHBondContact O-N 3.21Å; S77-M79 PolarHBondContact OG-N 2.96Å; M79-F506 HydrophobicContact CE-CD1 4.25Å; M79-F506 HydrophobicContact CE-CE1 4.42Å; M79-F506 WeakPolarHBondContact CE-O 3.19Å; M79-F506 HydrophobicContact CG-CD1 4.21Å; M79-F506 HydrophobicContact CG-CE1 4.08Å; M79-F506 HydrophobicContact SD-CD1 3.31Å; M79-F506 WeakPolarHBondContact SD-CD1 3.42Å; M79-F506 HydrophobicContact SD-CE1 3.72Å; M79-F506 HydrophobicContact SD-CG 4.26Å; M79-S507 VanDerWaalsContact CE-CA 3.47Å; M79-S507 VanDerWaalsContact SD-CA 3.6Å; M79-E509 HydrophobicContact CE-CB 4.47Å; M79-L510 HydrophobicContact CE-CB 3.69Å; M79-T512 HydrophobicContact CB-CG2 3.67Å; M79-T512 PolarHBondContact O-OG1 2.93Å; M79-E578 VanDerWaalsContact CB-OE2 3.31Å; M79-E578 WeakPolarHBondContact CB-OE2 3.33Å; M79-E578 HydrophobicContact CG-CG 4.48Å; M79-E578 PolarHBondContact N-OE1 3.09Å; M79-E578 PolarHBondContact N-OE2 2.71Å; M79-L582 HydrophobicContact CG-CD1 4.21Å |
| 80 | I | 86.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | trans | -98.3 | 120.1 | -177.6 | -57.7 | 157.9 | 0 | 0 | 0 | 109.6 | I76 S77 T512 V514 V523 L525 E574 E578 | I76-I80 HydrophobicContact CB-CB 4.09Å; I76-I80 HydrophobicContact CB-CG2 3.9Å; I76-I80 HydrophobicContact CD1-CG2 3.93Å; I76-I80 HydrophobicContact CG1-CG2 4.27Å; I76-I80 HydrophobicContact CG2-CG2 4.45Å; I76-I80 PolarHBondContact N-O 3.29Å; S77-I80 PolarHBondContact N-O 3.36Å; S77-I80 WeakPolarHBondContact OG-CB 3.32Å; S77-I80 WeakPolarHBondContact OG-CD1 3.49Å; S77-I80 VanDerWaalsContact OG-CG1 3.28Å; S77-I80 WeakPolarHBondContact OG-CG1 3.37Å; S77-I80 PolarHBondContact OG-N 3.26Å; I80-T512 HydrophobicContact CG1-CG2 3.97Å; I80-V514 HydrophobicContact CG2-CG2 3.41Å; I80-V514 VanDerWaalsContact CG2-CG2 3.41Å; I80-V523 HydrophobicContact CD1-CG1 4.13Å; I80-L525 HydrophobicContact CD1-CD2 3.69Å; I80-L525 HydrophobicContact CG1-CD2 3.97Å; I80-E574 HydrophobicContact CD1-CB 3.81Å; I80-E578 WeakPolarHBondContact CD1-OE2 3.17Å; I80-E578 VanDerWaalsContact CG1-OE2 3.29Å; I80-E578 WeakPolarHBondContact CG1-OE2 3.38Å | ||
| 81 | E | 86.9 | Confident | 85.3 | Confident | 47 Ų | 47 | 58.5 Ų | 58.5 | 22% | 0.22 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.5 | 172.3 | -64.2 | 179.6 | 156.1 | 0 | 0 | 109.9 | R74 R482 | R74-E81 WeakPolarHBondContact O-CA 3.09Å; E81-R482 IonicContact OE1-NH1 3.31Å; E81-R482 PolarHBondContact OE1-NH1 3.36Å; E81-R482 IonicContact OE2-CZ 3.34Å; E81-R482 IonicContact OE2-NH1 3.74Å; E81-R482 PolarHBondContact OE2-NH1 3.21Å |
| 82 | T | 86.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 141.4 | 166.4 | 62.3 | 0 | 0 | 0 | 0 | 108.8 | L73 R74 I76 V514 | L73-T82 WeakPolarHBondContact CA-O 3.44Å; R74-T82 PolarHBondContact N-O 3.39Å; R74-T82 PolarHBondContact O-N 2.92Å; I76-T82 HydrophobicContact CD1-CG2 3.63Å; I76-T82 HydrophobicContact CG1-CG2 4.42Å; T82-V514 HydrophobicContact CG2-CB 3.77Å; T82-V514 HydrophobicContact CG2-CG1 3.7Å; T82-V514 HydrophobicContact CG2-CG2 3.8Å |
| 83 | F | 86.9 | Confident | 85.9 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 155 | 176.9 | 56.7 | -93 | 0 | 0 | 0 | 109.5 | T70 L73 V85 W478 | T70-F83 HydrophobicContact CG2-CD2 3.46Å; T70-F83 VanDerWaalsContact CG2-CD2 3.46Å; T70-F83 HydrophobicContact CG2-CE2 3.66Å; T70-F83 HydrophobicContact CG2-CG 4.04Å; T70-F83 HydrophobicContact CG2-CZ 4.38Å; L73-F83 HydrophobicContact CB-CB 4.31Å; F83-V85 HydrophobicContact CD2-CG2 4.06Å; F83-V85 HydrophobicContact CE2-CG2 3.92Å; F83-W478 HydrophobicContact CE2-CB 4.09Å; F83-W478 HydrophobicContact CE2-CE3 4.3Å; F83-W478 HydrophobicContact CZ-CB 3.84Å |
| 84 | D | 83.3 | Confident | 86.2 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 160 | 170.5 | -53.6 | -36.6 | 0 | 0 | 0 | 109.4 | T70 V71 N72 | T70-D84 CarbonylContact C-O 3.5Å; T70-D84 WeakPolarHBondContact CA-O 3.21Å; V71-D84 HydrophobicContact CG2-CB 3.9Å; V71-D84 PolarHBondContact N-O 3.33Å; V71-D84 PolarHBondContact O-N 3.14Å; N72-D84 WeakPolarHBondContact CB-OD2 3.5Å; N72-D84 PolarHBondContact ND2-OD2 3.01Å |
| 85 | V | 83.5 | Confident | 86.4 | Confident | 43 Ų | 43 | 50.8 Ų | 50.8 | 26% | 0.261 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.9 | 174.2 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | I22 K68 F83 W478 | I22-V85 HydrophobicContact CD1-CB 4.45Å; I22-V85 HydrophobicContact CD1-CG1 3.94Å; I22-V85 HydrophobicContact CD1-CG2 3.59Å; I22-V85 HydrophobicContact CG1-CG2 4.46Å; K68-V85 HydrophobicContact CB-CG1 3.98Å; K68-V85 HydrophobicContact CG-CG1 4.39Å; F83-V85 HydrophobicContact CD2-CG2 4.06Å; F83-V85 HydrophobicContact CE2-CG2 3.92Å; V85-W478 HydrophobicContact CB-CE3 4.03Å; V85-W478 HydrophobicContact CB-CH2 4.13Å; V85-W478 HydrophobicContact CB-CZ3 3.54Å; V85-W478 HydrophobicContact CG1-CH2 4.48Å; V85-W478 HydrophobicContact CG1-CZ3 4.28Å; V85-W478 HydrophobicContact CG2-CD2 4.13Å; V85-W478 HydrophobicContact CG2-CE3 3.16Å; V85-W478 HydrophobicContact CG2-CH2 4.16Å; V85-W478 HydrophobicContact CG2-CZ3 3.22Å |
| 86 | E | 83.2 | Confident | 86.6 | Confident | 90 Ų | 90 | 48.6 Ų | 48.6 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.1 | 174.9 | -169.9 | -177.9 | -168.8 | 0 | 0 | 110.2 | T69 V71 K88 | T69-E86 PolarHBondContact N-O 3.23Å; T69-E86 PolarHBondContact O-N 3.23Å; T69-E86 PolarHBondContact OG1-O 3.35Å; V71-E86 HydrophobicContact CG1-CB 4.03Å; V71-E86 WeakPolarHBondContact CG1-OE2 3.42Å; V71-E86 HydrophobicContact CG2-CB 4.05Å; E86-K88 HydrophobicContact CG-CG 4.45Å; E86-K88 WeakPolarHBondContact OE2-CE 3.24Å; E86-K88 IonicContact OE2-NZ 2.6Å |
| 87 | E | 84.6 | Confident | 86.9 | Confident | 61 Ų | 61 | 47.9 Ų | 47.9 | 29% | 0.285 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.1 | 167.5 | -66.3 | -158.6 | 129.9 | 0 | 0 | 110.7 | T66 V67 T158 | T66-E87 HydrophobicContact CG2-CB 4.41Å; T66-E87 PolarHBondContact OG1-OE1 2.71Å; V67-E87 WeakPolarHBondContact O-CA 3.42Å; E87-T158 VanDerWaalsContact CD-CB 3.5Å; E87-T158 HydrophobicContact CG-CG2 3.78Å; E87-T158 VanDerWaalsContact OE1-CB 3.22Å; E87-T158 WeakPolarHBondContact OE1-CB 3.41Å; E87-T158 WeakPolarHBondContact OE1-CG2 3.47Å; E87-T158 PolarHBondContact OE1-OG1 3.41Å; E87-T158 WeakPolarHBondContact OE2-CB 3.39Å; E87-T158 PolarHBondContact OE2-OG1 2.99Å |
| 88 | K | 86.1 | Confident | 86.9 | Confident | 77 Ų | 77 | 51.8 Ų | 51.8 | 34% | 0.335 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 149.8 | 172.8 | -66.7 | -174.1 | -176.8 | 174 | 0 | 110.6 | T66 V67 T69 E86 G90 W93 | T66-K88 CarbonylContact C-O 3.29Å; T66-K88 WeakPolarHBondContact CA-O 3.41Å; T66-K88 WeakPolarHBondContact CB-O 3.39Å; V67-K88 HydrophobicContact CG2-CB 4.42Å; V67-K88 PolarHBondContact N-O 2.89Å; V67-K88 PolarHBondContact O-N 2.94Å; T69-K88 HydrophobicContact CG2-CB 4.38Å; T69-K88 HydrophobicContact CG2-CD 4.13Å; T69-K88 HydrophobicContact CG2-CG 4.39Å; E86-K88 HydrophobicContact CG-CG 4.45Å; E86-K88 WeakPolarHBondContact OE2-CE 3.24Å; E86-K88 IonicContact OE2-NZ 2.6Å; K88-G90 PolarHBondContact O-N 2.98Å; K88-W93 HydrophobicContact CB-CB 4.33Å |
| 89 | S | 90.2 | Very high | 87 | Confident | 57 Ų | 57 | 55.1 Ų | 55.1 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 130.5 | 168.6 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | S91 S92 W93 | S89-S91 PolarHBondContact O-N 2.71Å; S89-S91 PolarHBondContact OG-OG 3.08Å; S89-S92 PolarHBondContact O-N 3.41Å; S89-W93 WeakPolarHBondContact O-CB 3.26Å; S89-W93 PolarHBondContact O-N 2.93Å |
| 90 | G | 86.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.1 | -35.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | K65 K88 S94 | K65-G90 PolarHBondContact O-N 3.31Å; K88-G90 PolarHBondContact O-N 2.98Å; G90-S94 WeakPolarHBondContact O-CB 3.49Å; G90-S94 PolarHBondContact O-N 2.87Å; G90-S94 PolarHBondContact O-OG 2.87Å |
| 91 | S | 87.4 | Confident | 87.8 | Confident | 74 Ų | 74 | 55.8 Ų | 55.8 | 52% | 0.517 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -51.3 | 177.2 | 63.3 | 0 | 0 | 0 | 0 | 112 | S89 W93 S94 E95 | S89-S91 PolarHBondContact O-N 2.71Å; S89-S91 PolarHBondContact OG-OG 3.08Å; S91-W93 PolarHBondContact O-N 3Å; S91-S94 PolarHBondContact O-N 3.4Å; S91-S94 PolarHBondContact O-OG 2.79Å; S91-E95 PolarHBondContact O-N 3.29Å |
| 92 | S | 89.5 | Confident | 88.2 | Confident | 65 Ų | 65 | 56 Ų | 56 | 46% | 0.455 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.2 | -39.6 | -179.3 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | S89 S94 E95 | S89-S92 PolarHBondContact O-N 3.41Å; S92-S94 VanDerWaalsContact C-N 3.32Å; S92-S94 PolarHBondContact O-N 2.98Å; S92-E95 WeakPolarHBondContact O-CB 3.5Å; S92-E95 PolarHBondContact O-N 2.79Å |
| 93 | W | 89.4 | Confident | 88.7 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.038 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 176.1 | 172.9 | 74.3 | 0 | 0 | 0 | 112 | V25 A28 E29 L60 V67 T69 K88 S89 S91 E95 T96 W97 L101 V103 | V25-W93 HydrophobicContact CB-CZ2 4.5Å; V25-W93 HydrophobicContact CG1-CZ2 3.77Å; A28-W93 HydrophobicContact CB-CH2 3.83Å; A28-W93 HydrophobicContact CB-CZ2 4.47Å; E29-W93 HydrophobicContact CG-CZ2 3.6Å; E29-W93 PolarHBondContact OE1-NE1 2.8Å; L60-W93 HydrophobicContact CB-CZ3 4.44Å; L60-W93 HydrophobicContact CD2-CE3 4.44Å; L60-W93 HydrophobicContact CD2-CH2 3.72Å; L60-W93 HydrophobicContact CD2-CZ3 3.42Å; L60-W93 VanDerWaalsContact CD2-CZ3 3.42Å; V67-W93 HydrophobicContact CG1-CE3 4.3Å; V67-W93 HydrophobicContact CG1-CZ3 4.43Å; V67-W93 HydrophobicContact CG2-CB 4Å; V67-W93 HydrophobicContact CG2-CD2 3.83Å; V67-W93 HydrophobicContact CG2-CE3 3.92Å; V67-W93 HydrophobicContact CG2-CG 3.88Å; T69-W93 HydrophobicContact CG2-CG 4.3Å; K88-W93 HydrophobicContact CB-CB 4.33Å; S89-W93 WeakPolarHBondContact O-CB 3.26Å; S89-W93 PolarHBondContact O-N 2.93Å; S91-W93 PolarHBondContact O-N 3Å; W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 3.4Å; W93-T96 PolarHBondContact O-N 3.04Å; W93-T96 PolarHBondContact O-OG1 3.29Å; W93-W97 HydrophobicContact CZ2-CZ3 4.28Å; W93-L101 HydrophobicContact CE3-CD2 4.09Å; W93-L101 HydrophobicContact CH2-CD2 3.66Å; W93-L101 HydrophobicContact CZ2-CD2 4.2Å; W93-L101 HydrophobicContact CZ3-CD2 3.6Å; W93-L101 HydrophobicContact CZ3-CG 4.44Å; W93-V103 HydrophobicContact CE3-CG2 3.75Å; W93-V103 HydrophobicContact CZ3-CG2 3.62Å |
| 94 | S | 90 | Very high | 89.1 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -68.3 | -19.6 | 178.5 | 68.8 | 0 | 0 | 0 | 0 | 115 | G90 S91 S92 T96 W97 | G90-S94 WeakPolarHBondContact O-CB 3.49Å; G90-S94 PolarHBondContact O-N 2.87Å; G90-S94 PolarHBondContact O-OG 2.87Å; S91-S94 PolarHBondContact O-N 3.4Å; S91-S94 PolarHBondContact O-OG 2.79Å; S92-S94 VanDerWaalsContact C-N 3.32Å; S92-S94 PolarHBondContact O-N 2.98Å; S94-T96 PolarHBondContact O-N 2.69Å; S94-T96 VanDerWaalsContact O-N 3.13Å; S94-W97 CarbonylContact O-C 3.08Å; S94-W97 PolarHBondContact O-N 2.98Å; S94-W97 VanDerWaalsContact O-N 3.14Å |
| 95 | E | 90.5 | Very high | 89.7 | Confident | 138 Ų | 138 | 56.4 Ų | 56.4 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.8 | 177.1 | -69.2 | 164.9 | -167 | 0 | 0 | 113 | S91 S92 W93 W97 P98 | S91-E95 PolarHBondContact O-N 3.29Å; S92-E95 WeakPolarHBondContact O-CB 3.5Å; S92-E95 PolarHBondContact O-N 2.79Å; W93-E95 VanDerWaalsContact C-N 3.26Å; W93-E95 PolarHBondContact O-N 3.4Å; E95-W97 VanDerWaalsContact C-N 3.28Å; E95-W97 PolarHBondContact O-N 2.81Å; E95-P98 WeakPolarHBondContact O-CD 3.49Å |
| 96 | T | 88.7 | Confident | 90.2 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.1 | 175.5 | -45.9 | 0 | 0 | 0 | 0 | 112.5 | W93 S94 P98 | W93-T96 PolarHBondContact O-N 3.04Å; W93-T96 PolarHBondContact O-OG1 3.29Å; S94-T96 PolarHBondContact O-N 2.69Å; S94-T96 VanDerWaalsContact O-N 3.13Å; T96-P98 WeakPolarHBondContact O-CD 3.44Å |
| 97 | W | 91.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 51.8 Ų | 51.8 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -127.8 | 68.5 | -179.3 | -60.3 | -79.9 | 0 | 0 | 0 | 110.7 | E29 C32 E33 W93 S94 E95 T100 L101 | E29-W97 HydrophobicContact CB-CH2 3.97Å; E29-W97 HydrophobicContact CB-CZ2 4.41Å; E29-W97 HydrophobicContact CG-CH2 3.67Å; E29-W97 HydrophobicContact CG-CZ3 4.12Å; C32-W97 HydrophobicContact CB-CB 4.25Å; C32-W97 HydrophobicContact CB-CD2 3.62Å; C32-W97 HydrophobicContact CB-CE3 4.37Å; C32-W97 HydrophobicContact CB-CG 3.54Å; C32-W97 HydrophobicContact CB-CZ2 4.4Å; E33-W97 HydrophobicContact CG-CZ2 4.31Å; W93-W97 HydrophobicContact CZ2-CZ3 4.28Å; S94-W97 CarbonylContact O-C 3.08Å; S94-W97 PolarHBondContact O-N 2.98Å; S94-W97 VanDerWaalsContact O-N 3.14Å; E95-W97 VanDerWaalsContact C-N 3.28Å; E95-W97 PolarHBondContact O-N 2.81Å; W97-T100 PolarHBondContact O-N 2.81Å; W97-L101 HydrophobicContact CB-CB 3.99Å; W97-L101 HydrophobicContact CE3-CD2 3.69Å; W97-L101 HydrophobicContact CZ3-CD2 4.21Å; W97-L101 PolarHBondContact O-N 2.87Å |
| 98 | P | 86.1 | Confident | 91.1 | Very high | 88 Ų | 88 | 49.1 Ų | 49.1 | 57% | 0.571 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 145.4 | 179.9 | 27.9 | -34 | 0 | 0 | 0 | 109.9 | E95 T96 T100 | E95-P98 WeakPolarHBondContact O-CD 3.49Å; T96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-T100 PolarHBondContact O-N 2.82Å |
| 99 | D | 86.3 | Confident | 91.4 | Very high | 158 Ų | 158 | 46.4 Ų | 46.4 | 85% | 0.845 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -13.3 | -178.5 | -51.6 | -45.5 | 0 | 0 | 0 | 116.5 | ||
| 100 | T | 91.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 46.4 Ų | 46.4 | 9% | 0.092 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -51 | 177.1 | -55 | 0 | 0 | 0 | 0 | 111.2 | L35 N36 V58 W97 P98 | L35-T100 HydrophobicContact CD1-CG2 4.16Å; N36-T100 PolarHBondContact ND2-OG1 3.26Å; V58-T100 HydrophobicContact CG2-CG2 4.22Å; V58-T100 PolarHBondContact N-O 3.01Å; W97-T100 PolarHBondContact O-N 2.81Å; P98-T100 PolarHBondContact O-N 2.82Å |
| 101 | L | 95.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 125 | -173.4 | -178 | 59.4 | 0 | 0 | 0 | 111.6 | A28 V58 L60 W93 W97 | A28-L101 HydrophobicContact CB-CD1 4.39Å; V58-L101 HydrophobicContact CB-CD1 4.04Å; V58-L101 HydrophobicContact CG1-CD1 3.76Å; V58-L101 CarbonylContact O-C 3.59Å; V58-L101 WeakPolarHBondContact O-CA 3.46Å; L60-L101 HydrophobicContact CB-CD1 4.44Å; W93-L101 HydrophobicContact CE3-CD2 4.09Å; W93-L101 HydrophobicContact CH2-CD2 3.66Å; W93-L101 HydrophobicContact CZ2-CD2 4.2Å; W93-L101 HydrophobicContact CZ3-CD2 3.6Å; W93-L101 HydrophobicContact CZ3-CG 4.44Å; W97-L101 HydrophobicContact CB-CB 3.99Å; W97-L101 HydrophobicContact CE3-CD2 3.69Å; W97-L101 HydrophobicContact CZ3-CD2 4.21Å; W97-L101 PolarHBondContact O-N 2.87Å |
| 102 | T | 95.4 | Very high | 92.2 | Very high | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.7 | 171.5 | -56.9 | 0 | 0 | 0 | 0 | 110 | F13 V58 A59 L60 I104 | F13-T102 HydrophobicContact CE1-CG2 4.41Å; F13-T102 HydrophobicContact CZ-CG2 4.33Å; V58-T102 PolarHBondContact O-N 2.82Å; A59-T102 CarbonylContact C-O 3.59Å; A59-T102 VanDerWaalsContact CA-O 3.27Å; A59-T102 WeakPolarHBondContact CA-O 3.35Å; L60-T102 PolarHBondContact N-O 2.95Å; T102-I104 HydrophobicContact CG2-CG1 4.09Å |
| 103 | V | 96.3 | Very high | 92.5 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.3 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | L60 W93 | L60-V103 HydrophobicContact CB-CG2 4.38Å; L60-V103 WeakPolarHBondContact O-CA 3.26Å; W93-V103 HydrophobicContact CE3-CG2 3.75Å; W93-V103 HydrophobicContact CZ3-CG2 3.62Å |
| 104 | I | 95.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.9 | 179 | -55.6 | 174.2 | 0 | 0 | 0 | 108 | A59 L60 I61 S62 T102 D106 L120 I129 | A59-I104 HydrophobicContact CB-CD1 4.49Å; L60-I104 PolarHBondContact O-N 2.8Å; I61-I104 WeakPolarHBondContact CA-O 3.49Å; I61-I104 HydrophobicContact CG1-CB 4.34Å; I61-I104 HydrophobicContact CG1-CD1 4.44Å; S62-I104 PolarHBondContact N-O 2.86Å; T102-I104 HydrophobicContact CG2-CG1 4.09Å; I104-D106 HydrophobicContact CG2-CB 3.92Å; I104-D106 PolarHBondContact O-N 3.32Å; I104-D106 VanDerWaalsContact O-N 3.09Å; I104-L120 HydrophobicContact CG2-CD1 3.99Å; I104-I129 HydrophobicContact CD1-CD1 4.07Å |
| 105 | C | 95 | Very high | 93 | Very high | 49 Ų | 49 | 47 Ų | 47 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 85.3 | 173.3 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | S62 | S62-C105 CarbonylContact O-C 3.5Å; S62-C105 VanDerWaalsContact O-CA 3.27Å; S62-C105 WeakPolarHBondContact O-CA 3.39Å |
| 106 | D | 94.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | trans | -155.1 | 165.4 | 179.7 | -156.2 | -14.9 | 0 | 0 | 0 | 109.9 | I61 S62 A63 I104 L120 Q121 Q122 R123 | I61-D106 WeakPolarHBondContact CG2-O 3.39Å; S62-D106 CarbonylContact C-O 3.45Å; S62-D106 PolarHBondContact O-N 3.18Å; A63-D106 PolarHBondContact N-O 3.37Å; I104-D106 HydrophobicContact CG2-CB 3.92Å; I104-D106 PolarHBondContact O-N 3.32Å; I104-D106 VanDerWaalsContact O-N 3.09Å; D106-L120 HydrophobicContact CB-CB 4.1Å; D106-L120 HydrophobicContact CB-CD1 3.96Å; D106-L120 VanDerWaalsContact CG-CB 3.46Å; D106-L120 WeakPolarHBondContact OD2-CB 3.48Å; D106-Q121 PolarHBondContact OD1-N 2.83Å; D106-Q122 WeakPolarHBondContact OD1-CG 3.26Å; D106-Q122 PolarHBondContact OD1-N 2.7Å; D106-Q122 WeakPolarHBondContact OD2-CB 3.28Å; D106-Q122 PolarHBondContact OD2-N 2.77Å; D106-Q122 VanDerWaalsContact OD2-N 3.13Å; D106-R123 PolarHBondContact OD2-N 3.26Å; D106-R123 VanDerWaalsContact OD2-N 3.09Å | ||
| 107 | T | 93.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 19% | 0.19 | 23% | 0.226 | C | C | . | . | trans | -108.1 | 130.6 | 179.6 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | A63 I109 L120 Q121 | A63-T107 WeakPolarHBondContact CB-OG1 3.46Å; T107-I109 PolarHBondContact O-N 3.16Å; T107-L120 CarbonylContact O-C 3.55Å; T107-L120 VanDerWaalsContact O-CA 3.29Å; T107-L120 WeakPolarHBondContact O-CA 3.32Å; T107-Q121 PolarHBondContact O-N 3.01Å | ||
| 108 | M | 94 | Very high | 93.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 126.8 | 171.6 | 178.7 | -179.1 | 78.2 | 0 | 0 | 110.5 | I18 L111 V118 Y119 L120 L136 P393 L427 | I18-M108 HydrophobicContact CD1-SD 4.43Å; I18-M108 HydrophobicContact CG1-SD 4.18Å; I18-M108 HydrophobicContact CG2-CB 4.06Å; I18-M108 HydrophobicContact CG2-CE 4.32Å; I18-M108 HydrophobicContact CG2-SD 4.25Å; M108-L111 HydrophobicContact SD-CB 4.08Å; M108-V118 HydrophobicContact CB-CG1 4.33Å; M108-V118 HydrophobicContact CG-CG1 3.78Å; M108-V118 HydrophobicContact SD-CG1 3.97Å; M108-Y119 WeakPolarHBondContact CA-O 3.16Å; M108-L120 HydrophobicContact CB-CD2 4.21Å; M108-L136 HydrophobicContact CE-CD2 4.22Å; M108-L136 HydrophobicContact SD-CD2 4.5Å; M108-P393 HydrophobicContact CE-CG 4.2Å; M108-L427 HydrophobicContact CE-CD1 4.29Å; M108-L427 HydrophobicContact CE-CD2 3.99Å |
| 109 | I | 90.8 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 10% | 0.097 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -24 | 179.9 | 63 | 171 | 0 | 0 | 0 | 113.7 | T107 Y119 Q121 Y125 L394 S425 | T107-I109 PolarHBondContact O-N 3.16Å; I109-Y119 WeakPolarHBondContact CG1-O 3.37Å; I109-Y119 PolarHBondContact N-O 3.46Å; I109-Q121 HydrophobicContact CG2-CB 3.57Å; I109-Q121 HydrophobicContact CG2-CG 4.15Å; I109-Y125 HydrophobicContact CD1-CD2 4.3Å; I109-Y125 HydrophobicContact CD1-CE1 4.25Å; I109-Y125 HydrophobicContact CD1-CE2 3.7Å; I109-L394 HydrophobicContact CB-CD1 3.49Å; I109-L394 VanDerWaalsContact CB-CD1 3.49Å; I109-L394 HydrophobicContact CG2-CD1 3.48Å; I109-L394 VanDerWaalsContact CG2-CD1 3.48Å; I109-S425 WeakPolarHBondContact O-CB 3.19Å |
| 110 | K | 92.4 | Very high | 94.8 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 25% | 0.248 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 144.2 | 177.4 | 179.1 | -177.8 | 178.4 | -177 | 0 | 109.7 | Y119 Y125 S424 | K110-Y119 HydrophobicContact CB-CD2 3.86Å; K110-Y119 HydrophobicContact CB-CG 4.3Å; K110-Y119 HydrophobicContact CD-CD2 3.92Å; K110-Y119 HydrophobicContact CD-CE2 4.12Å; K110-Y119 HydrophobicContact CG-CD2 3.9Å; K110-Y119 HydrophobicContact CG-CE2 4.42Å; K110-Y119 PolarHBondContact N-O 2.88Å; K110-Y119 PolarHBondContact O-N 3.2Å; K110-Y125 HydrophobicContact CB-CE1 4.22Å; K110-Y125 HydrophobicContact CD-CE1 3.92Å; K110-S424 WeakPolarHBondContact CE-OG 3.31Å |
| 111 | L | 94.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.9 | 170.2 | 175.9 | 59.4 | 0 | 0 | 0 | 108.7 | M108 P113 V118 Y131 L134 L136 L427 L430 F431 | M108-L111 HydrophobicContact SD-CB 4.08Å; L111-P113 HydrophobicContact CD2-CG 4.29Å; L111-P113 HydrophobicContact CG-CG 4.05Å; L111-V118 HydrophobicContact CD1-CG2 3.73Å; L111-Y131 HydrophobicContact CD1-CE1 3.96Å; L111-L134 HydrophobicContact CD1-CD2 3.4Å; L111-L134 HydrophobicContact CD2-CD2 3.73Å; L111-L134 HydrophobicContact CG-CD2 4.24Å; L111-L136 HydrophobicContact CD2-CD1 4.23Å; L111-L136 HydrophobicContact CD2-CD2 4.34Å; L111-L427 HydrophobicContact CB-CD2 4.47Å; L111-L427 HydrophobicContact CD2-CD2 4.12Å; L111-L430 HydrophobicContact CB-CD1 4.28Å; L111-F431 HydrophobicContact CD2-CE2 3.9Å; L111-F431 HydrophobicContact CD2-CZ 3.71Å |
| 112 | D | 94.7 | Very high | 94.8 | Very high | 42 Ų | 42 | 38.1 Ų | 38.1 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 98.7 | 164.9 | -178.4 | -2.7 | 0 | 0 | 0 | 108.6 | S114 S115 H116 T117 Y119 | D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 PolarHBondContact O-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CB 3.16Å; D112-S114 PolarHBondContact OD1-N 2.72Å; D112-S114 PolarHBondContact OD1-OG 3.24Å; D112-S115 WeakPolarHBondContact CB-OG 3.48Å; D112-S115 PolarHBondContact OD1-N 3.33Å; D112-S115 WeakPolarHBondContact OD2-CB 3.43Å; D112-S115 PolarHBondContact OD2-OG 2.46Å; D112-H116 PolarHBondContact O-N 2.92Å; D112-T117 PolarHBondContact N-O 2.63Å; D112-T117 PolarHBondContact O-N 3.13Å; D112-Y119 HydrophobicContact CB-CE2 4.42Å |
| 113 | P | 95.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.032 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.2 | 178.7 | -21.8 | 34 | 0 | 0 | 0 | 112.8 | L111 S115 H116 Y131 F431 W452 V455 | L111-P113 HydrophobicContact CD2-CG 4.29Å; L111-P113 HydrophobicContact CG-CG 4.05Å; P113-S115 VanDerWaalsContact C-N 3.32Å; P113-S115 PolarHBondContact O-N 2.98Å; P113-H116 PolarHBondContact O-N 3.24Å; P113-Y131 WeakPolarHBondContact CA-OH 3.35Å; P113-F431 HydrophobicContact CG-CZ 4.22Å; P113-W452 HydrophobicContact CB-CB 4.04Å; P113-W452 HydrophobicContact CB-CD2 3.48Å; P113-W452 VanDerWaalsContact CB-CD2 3.48Å; P113-W452 HydrophobicContact CB-CE3 3.66Å; P113-W452 HydrophobicContact CB-CG 3.65Å; P113-W452 HydrophobicContact CB-CZ3 4.32Å; P113-W452 HydrophobicContact CG-CD2 3.98Å; P113-W452 HydrophobicContact CG-CG 4Å; P113-V455 HydrophobicContact CB-CG2 4.35Å |
| 114 | S | 94.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 60% | 0.601 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -33.3 | -174.1 | 71.8 | 0 | 0 | 0 | 0 | 112.9 | D112 | D112-S114 VanDerWaalsContact C-N 3.28Å; D112-S114 PolarHBondContact O-N 3.28Å; D112-S114 WeakPolarHBondContact OD1-CB 3.16Å; D112-S114 PolarHBondContact OD1-N 2.72Å; D112-S114 PolarHBondContact OD1-OG 3.24Å |
| 115 | S | 95.7 | Very high | 94.1 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9 | 176.7 | 66.1 | 0 | 0 | 0 | 0 | 113.2 | D112 P113 T117 | D112-S115 WeakPolarHBondContact CB-OG 3.48Å; D112-S115 PolarHBondContact OD1-N 3.33Å; D112-S115 WeakPolarHBondContact OD2-CB 3.43Å; D112-S115 PolarHBondContact OD2-OG 2.46Å; P113-S115 VanDerWaalsContact C-N 3.32Å; P113-S115 PolarHBondContact O-N 2.98Å; S115-T117 VanDerWaalsContact C-N 3.28Å; S115-T117 PolarHBondContact O-N 2.85Å; S115-T117 PolarHBondContact O-OG1 2.95Å; S115-T117 WeakPolarHBondContact OG-CB 3.5Å; S115-T117 PolarHBondContact OG-OG1 3.38Å |
| 116 | H | 97.7 | Very high | 93.9 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 28% | 0.278 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.4 | 49.8 | -173.8 | -57 | 111.6 | 0 | 0 | 0 | 113.4 | D112 P113 F130 Y131 D454 | D112-H116 PolarHBondContact O-N 2.92Å; P113-H116 PolarHBondContact O-N 3.24Å; H116-F130 WeakPolarHBondContact O-CA 3.49Å; H116-Y131 VanDerWaalsContact C-CD1 3.46Å; H116-Y131 VanDerWaalsContact CA-CZ 3.45Å; H116-Y131 HydrophobicContact CB-CD1 4.37Å; H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CE1 4.19Å; H116-Y131 HydrophobicContact CB-CE2 3.84Å; H116-Y131 HydrophobicContact CB-CG 4.27Å; H116-Y131 VanDerWaalsContact CB-O 3.26Å; H116-Y131 WeakPolarHBondContact CB-O 3.32Å; H116-Y131 AromaticContact CD2-CE2 3.54Å; H116-Y131 WeakPolarHBondContact O-CD1 3.36Å; H116-Y131 WeakPolarHBondContact O-CE1 3.42Å; H116-Y131 PolarHBondContact O-N 3.12Å; H116-Y131 VanDerWaalsContact O-N 3.09Å; H116-D454 IonicContact NE2-OD2 3.61Å |
| 117 | T | 96.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | -171.3 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | D112 S115 Y119 P128 I129 F130 Y131 | D112-T117 PolarHBondContact N-O 2.63Å; D112-T117 PolarHBondContact O-N 3.13Å; S115-T117 VanDerWaalsContact C-N 3.28Å; S115-T117 PolarHBondContact O-N 2.85Å; S115-T117 PolarHBondContact O-OG1 2.95Å; S115-T117 WeakPolarHBondContact OG-CB 3.5Å; S115-T117 PolarHBondContact OG-OG1 3.38Å; T117-Y119 HydrophobicContact CG2-CD2 4.43Å; T117-Y119 HydrophobicContact CG2-CE1 4.28Å; T117-Y119 HydrophobicContact CG2-CE2 3.81Å; T117-P128 HydrophobicContact CG2-CB 3.39Å; T117-P128 HydrophobicContact CG2-CG 3.89Å; T117-I129 WeakPolarHBondContact CA-O 3.43Å; T117-F130 HydrophobicContact CG2-CD1 4.29Å; T117-F130 HydrophobicContact CG2-CE1 4.06Å; T117-F130 WeakPolarHBondContact OG1-CD1 3.45Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.29Å; T117-Y131 VanDerWaalsContact N-CE1 3.34Å |
| 118 | V | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.3 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 109.3 | I18 I61 M108 L111 L120 P128 I129 Y131 L134 | I18-V118 HydrophobicContact CD1-CG1 4.15Å; I61-V118 HydrophobicContact CD1-CG1 4.43Å; M108-V118 HydrophobicContact CB-CG1 4.33Å; M108-V118 HydrophobicContact CG-CG1 3.78Å; M108-V118 HydrophobicContact SD-CG1 3.97Å; L111-V118 HydrophobicContact CD1-CG2 3.73Å; V118-L120 HydrophobicContact CG1-CD2 3.61Å; V118-P128 WeakPolarHBondContact O-CA 3.42Å; V118-P128 WeakPolarHBondContact O-CB 3.29Å; V118-I129 HydrophobicContact CB-CB 4.36Å; V118-I129 PolarHBondContact N-O 3.42Å; V118-I129 PolarHBondContact O-N 3.27Å; V118-Y131 HydrophobicContact CG2-CD1 3.89Å; V118-Y131 HydrophobicContact CG2-CE1 3.76Å; V118-L134 HydrophobicContact CG2-CD1 4.13Å; V118-L134 HydrophobicContact CG2-CD2 4.26Å |
| 119 | Y | 95.2 | Very high | 94.2 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 16% | 0.161 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.6 | 175.9 | -58.6 | -90.4 | 0 | 0 | 0 | 110.3 | M108 I109 K110 D112 T117 Y125 P128 | M108-Y119 WeakPolarHBondContact CA-O 3.16Å; I109-Y119 WeakPolarHBondContact CG1-O 3.37Å; I109-Y119 PolarHBondContact N-O 3.46Å; K110-Y119 HydrophobicContact CB-CD2 3.86Å; K110-Y119 HydrophobicContact CB-CG 4.3Å; K110-Y119 HydrophobicContact CD-CD2 3.92Å; K110-Y119 HydrophobicContact CD-CE2 4.12Å; K110-Y119 HydrophobicContact CG-CD2 3.9Å; K110-Y119 HydrophobicContact CG-CE2 4.42Å; K110-Y119 PolarHBondContact N-O 2.88Å; K110-Y119 PolarHBondContact O-N 3.2Å; D112-Y119 HydrophobicContact CB-CE2 4.42Å; T117-Y119 HydrophobicContact CG2-CD2 4.43Å; T117-Y119 HydrophobicContact CG2-CE1 4.28Å; T117-Y119 HydrophobicContact CG2-CE2 3.81Å; Y119-Y125 AromaticContact CD1-CD1 3.62Å; Y119-Y125 HydrophobicContact CD1-CD1 3.62Å; Y119-Y125 HydrophobicContact CD1-CE1 4.35Å; Y119-Y125 HydrophobicContact CD1-CG 4.4Å; Y119-Y125 HydrophobicContact CE1-CD1 4.09Å; Y119-Y125 WeakPolarHBondContact CE1-O 3.28Å; Y119-Y125 AromaticContact CG-CD1 3.92Å; Y119-Y125 HydrophobicContact CG-CD1 3.92Å; Y119-Y125 HydrophobicContact CG-CE1 4.19Å; Y119-P128 HydrophobicContact CD1-CB 3.75Å; Y119-P128 HydrophobicContact CE1-CB 3.73Å; Y119-P128 HydrophobicContact CE1-CG 4.17Å; Y119-P128 HydrophobicContact CG-CB 4.44Å |
| 120 | L | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 153.5 | -176.4 | -47.2 | -179.5 | 0 | 0 | 0 | 111.7 | I61 I104 D106 T107 M108 V118 R123 G124 I129 | I61-L120 HydrophobicContact CD1-CD1 3.96Å; I61-L120 HydrophobicContact CD1-CD2 3.89Å; I61-L120 HydrophobicContact CD1-CG 4.48Å; I61-L120 HydrophobicContact CG2-CD1 4.15Å; I61-L120 HydrophobicContact CG2-CD2 3.8Å; I104-L120 HydrophobicContact CG2-CD1 3.99Å; D106-L120 HydrophobicContact CB-CB 4.1Å; D106-L120 HydrophobicContact CB-CD1 3.96Å; D106-L120 VanDerWaalsContact CG-CB 3.46Å; D106-L120 WeakPolarHBondContact OD2-CB 3.48Å; T107-L120 CarbonylContact O-C 3.55Å; T107-L120 VanDerWaalsContact O-CA 3.29Å; T107-L120 WeakPolarHBondContact O-CA 3.32Å; M108-L120 HydrophobicContact CB-CD2 4.21Å; V118-L120 HydrophobicContact CG1-CD2 3.61Å; L120-R123 HydrophobicContact CB-CB 4.23Å; L120-R123 HydrophobicContact CB-CG 4.43Å; L120-R123 HydrophobicContact CD1-CG 4.35Å; L120-G124 WeakPolarHBondContact O-CA 3.41Å; L120-G124 PolarHBondContact O-N 2.92Å; L120-I129 HydrophobicContact CD1-CG1 4.02Å; L120-I129 HydrophobicContact CG-CG1 4.5Å |
| 121 | Q | 93.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 49 Ų | 49 | 42% | 0.416 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -52.8 | -172.9 | -170.6 | 176.7 | 7.7 | 0 | 0 | 112.3 | D106 T107 I109 | D106-Q121 PolarHBondContact OD1-N 2.83Å; T107-Q121 PolarHBondContact O-N 3.01Å; I109-Q121 HydrophobicContact CG2-CB 3.57Å; I109-Q121 HydrophobicContact CG2-CG 4.15Å |
| 122 | Q | 93.7 | Very high | 95 | Very high | 152 Ų | 152 | 52.1 Ų | 52.1 | 71% | 0.71 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -34.7 | -176.3 | -58.5 | 179.3 | 16.8 | 0 | 0 | 111.4 | D106 | D106-Q122 WeakPolarHBondContact OD1-CG 3.26Å; D106-Q122 PolarHBondContact OD1-N 2.7Å; D106-Q122 WeakPolarHBondContact OD2-CB 3.28Å; D106-Q122 PolarHBondContact OD2-N 2.77Å; D106-Q122 VanDerWaalsContact OD2-N 3.13Å |
| 123 | R | 92 | Very high | 95.2 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -29.6 | 174.9 | -67.3 | -166.3 | 173 | -144.1 | -0.5 | 113.9 | N11 D106 L120 N127 | N11-R123 PolarHBondContact OD1-NH1 2.82Å; D106-R123 PolarHBondContact OD2-N 3.26Å; D106-R123 VanDerWaalsContact OD2-N 3.09Å; L120-R123 HydrophobicContact CB-CB 4.23Å; L120-R123 HydrophobicContact CB-CG 4.43Å; L120-R123 HydrophobicContact CD1-CG 4.35Å; R123-N127 HydrophobicContact CB-CB 4.38Å |
| 124 | G | 90.3 | Very high | 95.3 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | trans | 72.6 | 173.4 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | L120 N126 N127 | L120-G124 WeakPolarHBondContact O-CA 3.41Å; L120-G124 PolarHBondContact O-N 2.92Å; G124-N126 VanDerWaalsContact C-N 3.27Å; G124-N126 PolarHBondContact O-N 2.92Å; G124-N127 PolarHBondContact O-N 2.8Å | ||
| 125 | Y | 90.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 46.8 Ų | 46.8 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -21.4 | -172.5 | -75.8 | -80.1 | 0 | 0 | 0 | 115.2 | I109 K110 Y119 N127 T419 | I109-Y125 HydrophobicContact CD1-CD2 4.3Å; I109-Y125 HydrophobicContact CD1-CE1 4.25Å; I109-Y125 HydrophobicContact CD1-CE2 3.7Å; K110-Y125 HydrophobicContact CB-CE1 4.22Å; K110-Y125 HydrophobicContact CD-CE1 3.92Å; Y119-Y125 AromaticContact CD1-CD1 3.62Å; Y119-Y125 HydrophobicContact CD1-CD1 3.62Å; Y119-Y125 HydrophobicContact CD1-CE1 4.35Å; Y119-Y125 HydrophobicContact CD1-CG 4.4Å; Y119-Y125 HydrophobicContact CE1-CD1 4.09Å; Y119-Y125 WeakPolarHBondContact CE1-O 3.28Å; Y119-Y125 AromaticContact CG-CD1 3.92Å; Y119-Y125 HydrophobicContact CG-CD1 3.92Å; Y119-Y125 HydrophobicContact CG-CE1 4.19Å; Y125-N127 VanDerWaalsContact C-N 3.34Å; Y125-T419 HydrophobicContact CE2-CG2 4.33Å |
| 126 | N | 92.1 | Very high | 95.6 | Very high | 168 Ų | 168 | 44.3 Ų | 44.3 | 90% | 0.898 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -7.8 | -177.3 | -65.1 | -22.2 | 0 | 0 | 0 | 113.4 | G124 P128 | G124-N126 VanDerWaalsContact C-N 3.27Å; G124-N126 PolarHBondContact O-N 2.92Å; N126-P128 VanDerWaalsContact C-CD 3.48Å |
| 127 | N | 93.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 41.7 Ų | 41.7 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -132.7 | 59.8 | -176.5 | -169.2 | 35.9 | 0 | 0 | 0 | 112 | N11 R123 G124 Y125 | N11-N127 PolarHBondContact ND2-OD1 2.78Å; R123-N127 HydrophobicContact CB-CB 4.38Å; G124-N127 PolarHBondContact O-N 2.8Å; Y125-N127 VanDerWaalsContact C-N 3.34Å |
| 128 | P | 95.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.104 | 21% | 0.208 | C | C | . | . | trans | -73.2 | 165.5 | -176.5 | 33.7 | -37.6 | 0 | 0 | 0 | 112.7 | N11 T117 V118 Y119 N126 F130 | N11-P128 WeakPolarHBondContact CB-O 3.37Å; N11-P128 PolarHBondContact ND2-O 2.94Å; T117-P128 HydrophobicContact CG2-CB 3.39Å; T117-P128 HydrophobicContact CG2-CG 3.89Å; V118-P128 WeakPolarHBondContact O-CA 3.42Å; V118-P128 WeakPolarHBondContact O-CB 3.29Å; Y119-P128 HydrophobicContact CD1-CB 3.75Å; Y119-P128 HydrophobicContact CE1-CB 3.73Å; Y119-P128 HydrophobicContact CE1-CG 4.17Å; Y119-P128 HydrophobicContact CG-CB 4.44Å; N126-P128 VanDerWaalsContact C-CD 3.48Å; P128-F130 HydrophobicContact CG-CE1 4.38Å; P128-F130 HydrophobicContact CG-CE2 4.1Å; P128-F130 HydrophobicContact CG-CZ 3.75Å | ||
| 129 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.3 | 170.1 | -63.3 | -60.8 | 0 | 0 | 0 | 109.2 | N11 F13 V16 I61 I104 T117 V118 L120 | N11-I129 HydrophobicContact CB-CD1 4.44Å; F13-I129 HydrophobicContact CD2-CG2 3.91Å; F13-I129 HydrophobicContact CE2-CD1 3.99Å; F13-I129 HydrophobicContact CE2-CG2 4.4Å; V16-I129 HydrophobicContact CG2-CG2 3.84Å; I61-I129 HydrophobicContact CD1-CG1 4.31Å; I104-I129 HydrophobicContact CD1-CD1 4.07Å; T117-I129 WeakPolarHBondContact CA-O 3.43Å; V118-I129 HydrophobicContact CB-CB 4.36Å; V118-I129 PolarHBondContact N-O 3.42Å; V118-I129 PolarHBondContact O-N 3.27Å; L120-I129 HydrophobicContact CD1-CG1 4.02Å; L120-I129 HydrophobicContact CG-CG1 4.5Å |
| 130 | F | 98 | Very high | 95.2 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 21% | 0.206 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145.1 | 174.4 | -57.1 | -81.5 | 0 | 0 | 0 | 110 | K8 N11 H12 F13 H116 T117 P128 | K8-F130 HydrophobicContact CG-CE2 4.13Å; N11-F130 HydrophobicContact CB-CD2 4.25Å; N11-F130 PolarHBondContact O-N 3Å; H12-F130 HydrophobicContact CB-CB 4.4Å; F13-F130 PolarHBondContact N-O 3.19Å; H116-F130 WeakPolarHBondContact O-CA 3.49Å; T117-F130 HydrophobicContact CG2-CD1 4.29Å; T117-F130 HydrophobicContact CG2-CE1 4.06Å; T117-F130 WeakPolarHBondContact OG1-CD1 3.45Å; T117-F130 WeakPolarHBondContact OG1-CE1 3.29Å; P128-F130 HydrophobicContact CG-CE1 4.38Å; P128-F130 HydrophobicContact CG-CE2 4.1Å; P128-F130 HydrophobicContact CG-CZ 3.75Å |
| 131 | Y | 98.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.2 | -178 | 61.5 | -93.9 | 0 | 0 | 0 | 113.5 | F13 L111 P113 H116 T117 V118 L134 V455 | F13-Y131 CarbonylContact O-C 3.54Å; F13-Y131 WeakPolarHBondContact O-CA 3.25Å; L111-Y131 HydrophobicContact CD1-CE1 3.96Å; P113-Y131 WeakPolarHBondContact CA-OH 3.35Å; H116-Y131 VanDerWaalsContact C-CD1 3.46Å; H116-Y131 VanDerWaalsContact CA-CZ 3.45Å; H116-Y131 HydrophobicContact CB-CD1 4.37Å; H116-Y131 HydrophobicContact CB-CD2 3.99Å; H116-Y131 HydrophobicContact CB-CE1 4.19Å; H116-Y131 HydrophobicContact CB-CE2 3.84Å; H116-Y131 HydrophobicContact CB-CG 4.27Å; H116-Y131 VanDerWaalsContact CB-O 3.26Å; H116-Y131 WeakPolarHBondContact CB-O 3.32Å; H116-Y131 AromaticContact CD2-CE2 3.54Å; H116-Y131 WeakPolarHBondContact O-CD1 3.36Å; H116-Y131 WeakPolarHBondContact O-CE1 3.42Å; H116-Y131 PolarHBondContact O-N 3.12Å; H116-Y131 VanDerWaalsContact O-N 3.09Å; T117-Y131 VanDerWaalsContact N-CE1 3.34Å; V118-Y131 HydrophobicContact CG2-CD1 3.89Å; V118-Y131 HydrophobicContact CG2-CE1 3.76Å; Y131-L134 HydrophobicContact CD1-CB 4.32Å; Y131-L134 HydrophobicContact CD2-CB 3.56Å; Y131-L134 HydrophobicContact CE1-CB 4.22Å; Y131-L134 HydrophobicContact CE1-CD2 3.89Å; Y131-L134 HydrophobicContact CE2-CB 3.39Å; Y131-L134 HydrophobicContact CE2-CD2 4.21Å; Y131-L134 HydrophobicContact CE2-CG 4.42Å; Y131-L134 HydrophobicContact CG-CB 4.01Å; Y131-V455 HydrophobicContact CE2-CG2 4.35Å |
| 132 | N | 98.2 | Very high | 94.7 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -38.8 | 163.4 | -65.8 | -31.4 | 0 | 0 | 0 | 111.4 | H12 F13 D14 D454 | H12-N132 PolarHBondContact CE1-OD1 3.12Å; H12-N132 PolarHBondContact NE2-ND2 3.46Å; H12-N132 PolarHBondContact NE2-OD1 2.63Å; F13-N132 PolarHBondContact O-N 2.85Å; F13-N132 VanDerWaalsContact O-N 3.11Å; D14-N132 WeakPolarHBondContact O-CB 2.93Å; D14-N132 PolarHBondContact O-N 3.22Å; D14-N132 PolarHBondContact OD1-ND2 3.12Å; D14-N132 VanDerWaalsContact OD1-ND2 3.08Å; N132-D454 WeakPolarHBondContact O-CB 3.17Å |
| 133 | K | 98.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.2 | 173.3 | -54.2 | -71.7 | 178.5 | 178.8 | 0 | 110 | D14 Y15 V16 D454 Y456 M492 | D14-K133 PolarHBondContact O-N 3.34Å; Y15-K133 WeakPolarHBondContact CA-O 3.3Å; Y15-K133 HydrophobicContact CD1-CB 3.99Å; Y15-K133 HydrophobicContact CD1-CG 4.3Å; Y15-K133 HydrophobicContact CE1-CB 4.45Å; Y15-K133 HydrophobicContact CE1-CG 4.26Å; V16-K133 PolarHBondContact N-O 2.87Å; K133-D454 WeakPolarHBondContact CA-O 3.38Å; K133-D454 HydrophobicContact CD-CB 3.94Å; K133-D454 IonicContact NZ-OD1 2.75Å; K133-D454 PolarHBondContact NZ-OD1 3.43Å; K133-Y456 HydrophobicContact CB-CE2 4.4Å; K133-Y456 HydrophobicContact CD-CE2 4.06Å; K133-M492 HydrophobicContact CB-CB 4.46Å; K133-M492 HydrophobicContact CB-CE 3.88Å; K133-M492 HydrophobicContact CB-CG 4.32Å |
| 134 | L | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.6 | -178.7 | 173.6 | 69.1 | 0 | 0 | 0 | 111 | V16 I18 L111 V118 Y131 L136 D454 V455 Y456 | V16-L134 HydrophobicContact CB-CD1 3.87Å; V16-L134 HydrophobicContact CG1-CD1 3.66Å; V16-L134 CarbonylContact O-C 3.5Å; V16-L134 VanDerWaalsContact O-CA 3.28Å; V16-L134 WeakPolarHBondContact O-CA 3.3Å; I18-L134 HydrophobicContact CD1-CD1 4.1Å; I18-L134 HydrophobicContact CG1-CD1 3.64Å; L111-L134 HydrophobicContact CD1-CD2 3.4Å; L111-L134 HydrophobicContact CD2-CD2 3.73Å; L111-L134 HydrophobicContact CG-CD2 4.24Å; V118-L134 HydrophobicContact CG2-CD1 4.13Å; V118-L134 HydrophobicContact CG2-CD2 4.26Å; Y131-L134 HydrophobicContact CD1-CB 4.32Å; Y131-L134 HydrophobicContact CD2-CB 3.56Å; Y131-L134 HydrophobicContact CE1-CB 4.22Å; Y131-L134 HydrophobicContact CE1-CD2 3.89Å; Y131-L134 HydrophobicContact CE2-CB 3.39Å; Y131-L134 HydrophobicContact CE2-CD2 4.21Å; Y131-L134 HydrophobicContact CE2-CG 4.42Å; Y131-L134 HydrophobicContact CG-CB 4.01Å; L134-L136 HydrophobicContact CD2-CD2 4.15Å; L134-L136 HydrophobicContact CG-CD2 4.36Å; L134-D454 PolarHBondContact N-O 2.87Å; L134-V455 HydrophobicContact CB-CG2 4.42Å; L134-V455 HydrophobicContact CD2-CG1 4.07Å; L134-V455 HydrophobicContact CD2-CG2 4.27Å; L134-V455 HydrophobicContact CG-CG1 4.36Å; L134-V455 CarbonylContact O-C 3.59Å; L134-V455 WeakPolarHBondContact O-CA 3.05Å; L134-Y456 WeakPolarHBondContact O-CD2 2.97Å; L134-Y456 PolarHBondContact O-N 3.41Å |
| 135 | C | 98.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 122.3 | 167.8 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | V16 I17 I18 T137 Y456 M492 | V16-C135 PolarHBondContact O-N 3.15Å; I17-C135 CarbonylContact C-O 3.47Å; I17-C135 WeakPolarHBondContact CA-O 3.28Å; I17-C135 HydrophobicContact CG1-CB 4.3Å; I17-C135 HydrophobicContact CG2-CB 4.47Å; I18-C135 PolarHBondContact N-O 3.36Å; C135-T137 HydrophobicContact CB-CG2 4.49Å; C135-Y456 CarbonylContact C-O 3.58Å; C135-Y456 WeakPolarHBondContact CA-O 3.47Å; C135-M492 HydrophobicContact CB-CE 4.09Å; C135-M492 HydrophobicContact CB-SD 3.61Å |
| 136 | L | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.8 | 171.8 | -61.6 | 175.1 | 0 | 0 | 0 | 109.3 | I18 M108 L111 L134 L427 F431 L442 V455 Y456 A457 A458 C461 | I18-L136 HydrophobicContact CB-CD2 4.09Å; I18-L136 HydrophobicContact CG1-CD2 3.94Å; M108-L136 HydrophobicContact CE-CD2 4.22Å; M108-L136 HydrophobicContact SD-CD2 4.5Å; L111-L136 HydrophobicContact CD2-CD1 4.23Å; L111-L136 HydrophobicContact CD2-CD2 4.34Å; L134-L136 HydrophobicContact CD2-CD2 4.15Å; L134-L136 HydrophobicContact CG-CD2 4.36Å; L136-L427 HydrophobicContact CD1-CD1 4.28Å; L136-L427 HydrophobicContact CD1-CD2 4.21Å; L136-F431 HydrophobicContact CD1-CE2 4.01Å; L136-F431 HydrophobicContact CD1-CZ 3.95Å; L136-L442 HydrophobicContact CB-CD1 4.21Å; L136-L442 HydrophobicContact CD1-CD1 3.54Å; L136-V455 HydrophobicContact CD1-CG1 4.07Å; L136-V455 HydrophobicContact CG-CG1 4.28Å; L136-Y456 PolarHBondContact N-O 3Å; L136-A457 HydrophobicContact CB-CB 4.16Å; L136-A457 CarbonylContact O-C 3.12Å; L136-A457 WeakPolarHBondContact O-CA 3.44Å; L136-A458 PolarHBondContact O-N 3.28Å; L136-C461 PolarHBondContact O-SG 2.89Å |
| 137 | T | 97.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -131.3 | 42.7 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | I17 I18 G19 A23 G24 C135 G139 A458 | I17-T137 HydrophobicContact CG2-CG2 4.18Å; I17-T137 WeakPolarHBondContact CG2-OG1 3.44Å; I18-T137 CarbonylContact O-C 3.56Å; I18-T137 WeakPolarHBondContact O-CA 3.4Å; I18-T137 PolarHBondContact O-N 3.5Å; I18-T137 PolarHBondContact O-OG1 2.87Å; G19-T137 PolarHBondContact O-OG1 3.49Å; G19-T137 VanDerWaalsContact O-OG1 3.13Å; A23-T137 HydrophobicContact CB-CG2 4.06Å; G24-T137 WeakPolarHBondContact CA-OG1 3.17Å; C135-T137 HydrophobicContact CB-CG2 4.49Å; T137-G139 PolarHBondContact O-N 3.04Å; T137-A458 HydrophobicContact CG2-CB 4.06Å | ||
| 138 | T | 94.6 | Very high | 94.2 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -71.6 | -7.8 | -174 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | I18 N390 C461 | I18-T138 HydrophobicContact CG2-CG2 4.04Å; I18-T138 PolarHBondContact O-N 3.37Å; T138-N390 WeakPolarHBondContact CB-O 3.47Å; T138-N390 WeakPolarHBondContact O-CB 3.38Å; T138-N390 PolarHBondContact O-ND2 3.49Å; T138-N390 PolarHBondContact OG1-O 3.46Å; T138-C461 PolarHBondContact N-SG 2.74Å; T138-C461 WeakPolarHBondContact OG1-CB 3.21Å | ||
| 139 | G | 93 | Very high | 94.2 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | trans | 72.6 | -149.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | T137 N390 D460 C461 | T137-G139 PolarHBondContact O-N 3.04Å; G139-N390 WeakPolarHBondContact O-CB 3.41Å; G139-N390 PolarHBondContact O-N 3.2Å; G139-D460 CarbonylContact O-C 3.53Å; G139-C461 WeakPolarHBondContact O-CA 3.37Å; G139-C461 WeakPolarHBondContact O-CB 3.43Å; G139-C461 PolarHBondContact O-N 3.05Å | ||
| 140 | G | 90.5 | Very high | 94 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R156 E388 | G140-R156 PolarHBondContact O-NE 3.11Å; G140-E388 CarbonylContact C-O 3.52Å; G140-E388 WeakPolarHBondContact CA-O 3.49Å |
| 141 | V | 89 | Confident | 93.9 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 19% | 0.188 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.9 | 177.3 | -71.5 | 0 | 0 | 0 | 0 | 110.6 | R143 V387 E388 N390 | V141-R143 PolarHBondContact O-N 3.3Å; V141-V387 CarbonylContact O-C 3.21Å; V141-V387 VanDerWaalsContact O-CA 3.23Å; V141-V387 WeakPolarHBondContact O-CA 3.24Å; V141-V387 WeakPolarHBondContact O-CB 3.4Å; V141-E388 HydrophobicContact CG2-CG 3.6Å; V141-E388 PolarHBondContact N-O 2.83Å; V141-E388 PolarHBondContact O-N 2.96Å; V141-N390 HydrophobicContact CG1-CB 3.91Å |
| 142 | P | 89.8 | Confident | 93.8 | Very high | 31 Ų | 31 | 47 Ų | 47 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 134.9 | 176.6 | -27.8 | 37.4 | 0 | 0 | 0 | 112.2 | L144 R156 | P142-L144 HydrophobicContact CB-CD2 4.05Å; P142-L144 HydrophobicContact CB-CG 4.49Å; P142-L144 PolarHBondContact O-N 3.07Å; P142-R156 HydrophobicContact CG-CB 3.63Å; P142-R156 HydrophobicContact CG-CG 4.29Å |
| 143 | R | 89.5 | Confident | 93.6 | Very high | 110 Ų | 110 | 44.8 Ų | 44.8 | 42% | 0.415 | 23% | 0.234 | S | C | . | . | trans | -77 | 101.8 | 164.7 | -174.5 | -176.1 | -66.1 | 163.7 | -3.1 | 107.5 | V141 S383 V385 G386 | V141-R143 PolarHBondContact O-N 3.3Å; R143-S383 PolarHBondContact O-OG 3.29Å; R143-V385 HydrophobicContact CB-CG2 4.22Å; R143-V385 HydrophobicContact CG-CG2 4.3Å; R143-V385 WeakPolarHBondContact O-CG2 3.38Å; R143-G386 PolarHBondContact N-O 3.08Å | ||
| 144 | L | 90.2 | Very high | 93.3 | Very high | 57 Ų | 57 | 44.5 Ų | 44.5 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | trans | -82.2 | 137.2 | 176.9 | -61.1 | -178.7 | 0 | 0 | 0 | 110.3 | P142 D146 P147 S383 | P142-L144 HydrophobicContact CB-CD2 4.05Å; P142-L144 HydrophobicContact CB-CG 4.49Å; P142-L144 PolarHBondContact O-N 3.07Å; L144-D146 VanDerWaalsContact C-N 3.33Å; L144-P147 HydrophobicContact CB-CB 4.09Å; L144-P147 HydrophobicContact CD1-CB 3.97Å; L144-S383 WeakPolarHBondContact CA-OG 3.33Å | ||
| 145 | I | 92.5 | Very high | 92.7 | Very high | 63 Ų | 63 | 44.8 Ų | 44.8 | 32% | 0.323 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -61.6 | -44.6 | 174.9 | -66.7 | 160.9 | 0 | 0 | 0 | 110.6 | V177 I330 F333 S383 V385 | I145-V177 HydrophobicContact CD1-CB 3.52Å; I145-V177 HydrophobicContact CD1-CG1 3.46Å; I145-V177 VanDerWaalsContact CD1-CG1 3.46Å; I145-V177 HydrophobicContact CD1-CG2 3.77Å; I145-I330 HydrophobicContact CD1-CD1 4.09Å; I145-F333 HydrophobicContact CG2-CE2 3.99Å; I145-F333 HydrophobicContact CG2-CZ 4.07Å; I145-S383 WeakPolarHBondContact CG1-OG 3.43Å; I145-S383 PolarHBondContact N-OG 2.91Å; I145-S383 VanDerWaalsContact N-OG 3.11Å; I145-V385 HydrophobicContact CD1-CG1 4.08Å; I145-V385 HydrophobicContact CG1-CG1 4.22Å; I145-V385 HydrophobicContact CG1-CG2 4.29Å |
| 146 | D | 92.7 | Very high | 91.6 | Very high | 54 Ų | 54 | 47 Ų | 47 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | trans | -140.6 | 104 | 168.7 | -174.2 | -17.7 | 0 | 0 | 0 | 108.9 | L144 K148 H149 F333 | L144-D146 VanDerWaalsContact C-N 3.33Å; D146-K148 PolarHBondContact O-N 3.32Å; D146-K148 PolarHBondContact OD1-N 2.84Å; D146-H149 HydrophobicContact CB-CB 3.86Å; D146-H149 PolarHBondContact O-N 2.81Å; D146-H149 PolarHBondContact OD1-N 2.97Å; D146-F333 HydrophobicContact CB-CD2 4.33Å; D146-F333 HydrophobicContact CB-CE2 3.84Å | ||
| 147 | P | 86.8 | Confident | 90.3 | Very high | 97 Ų | 97 | 48.4 Ų | 48.4 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.5 | -176.7 | 27.9 | -34.5 | 0 | 0 | 0 | 114 | L144 | L144-P147 HydrophobicContact CB-CB 4.09Å; L144-P147 HydrophobicContact CD1-CB 3.97Å |
| 148 | K | 90.9 | Very high | 89.1 | Confident | 192 Ų | 192 | 49.4 Ų | 49.4 | 84% | 0.835 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -12.3 | -179.2 | -65.3 | -178.3 | -178.7 | 178.8 | 0 | 112.4 | D146 | D146-K148 PolarHBondContact O-N 3.32Å; D146-K148 PolarHBondContact OD1-N 2.84Å |
| 149 | H | 94.6 | Very high | 88.2 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | trans | -76.6 | 123.6 | -173.9 | -165.5 | -80.8 | 0 | 0 | 0 | 111.5 | D146 Y151 V152 F333 | D146-H149 HydrophobicContact CB-CB 3.86Å; D146-H149 PolarHBondContact O-N 2.81Å; D146-H149 PolarHBondContact OD1-N 2.97Å; H149-Y151 AromaticContact CE1-CD2 3.66Å; H149-Y151 PolarHBondContact ND1-N 2.93Å; H149-Y151 PolarHBondContact O-N 3.14Å; H149-Y151 VanDerWaalsContact O-N 3.1Å; H149-V152 HydrophobicContact CB-CB 4.08Å; H149-V152 HydrophobicContact CB-CG2 3.72Å; H149-V152 PolarHBondContact O-N 3.45Å; H149-F333 AromaticContact CD2-CG 3.99Å; H149-F333 AromaticContact NE2-CG 3.97Å | ||
| 150 | P | 94.1 | Very high | 87.7 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 55% | 0.552 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.7 | -169.1 | 26.2 | -35.5 | 0 | 0 | 0 | 114.9 | ||
| 151 | Y | 95.5 | Very high | 87.4 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -0.8 | 176.9 | -57 | -77.1 | 0 | 0 | 0 | 113.4 | H149 P365 V366 V381 | H149-Y151 AromaticContact CE1-CD2 3.66Å; H149-Y151 PolarHBondContact ND1-N 2.93Å; H149-Y151 PolarHBondContact O-N 3.14Å; H149-Y151 VanDerWaalsContact O-N 3.1Å; Y151-P365 HydrophobicContact CD1-CB 4.32Å; Y151-P365 HydrophobicContact CD1-CG 4.38Å; Y151-P365 HydrophobicContact CE1-CB 3.61Å; Y151-P365 HydrophobicContact CE1-CG 4.02Å; Y151-P365 HydrophobicContact CE2-CB 4.17Å; Y151-V366 HydrophobicContact CD2-CB 4.03Å; Y151-V366 HydrophobicContact CD2-CG1 4.24Å; Y151-V366 HydrophobicContact CG-CB 4.32Å; Y151-V366 HydrophobicContact CG-CG1 4Å; Y151-V381 PolarHBondContact O-N 2.84Å |
| 152 | V | 96.2 | Very high | 87.2 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.1 | 174.8 | 177.2 | 0 | 0 | 0 | 0 | 108.8 | H149 F333 V381 | H149-V152 HydrophobicContact CB-CB 4.08Å; H149-V152 HydrophobicContact CB-CG2 3.72Å; H149-V152 PolarHBondContact O-N 3.45Å; V152-F333 HydrophobicContact CG2-CE1 3.93Å; V152-F333 HydrophobicContact CG2-CE2 4.06Å; V152-F333 HydrophobicContact CG2-CZ 3.57Å; V152-V381 CarbonylContact C-O 3.53Å; V152-V381 WeakPolarHBondContact CA-O 3.13Å; V152-V381 HydrophobicContact CG2-CB 4.02Å; V152-V381 HydrophobicContact CG2-CG1 4.21Å |
| 153 | I | 94.1 | Very high | 87.1 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.9 | 174.4 | 65.5 | 166.9 | 0 | 0 | 0 | 110.3 | L155 F164 L380 V381 V382 S383 | I153-L155 HydrophobicContact CD1-CD2 4.45Å; I153-F164 HydrophobicContact CD1-CB 4.13Å; I153-F164 HydrophobicContact CD1-CD2 3.43Å; I153-F164 VanDerWaalsContact CD1-CD2 3.43Å; I153-F164 HydrophobicContact CD1-CE2 4.2Å; I153-F164 HydrophobicContact CD1-CG 4.18Å; I153-L380 HydrophobicContact CD1-CD1 3.93Å; I153-L380 HydrophobicContact CD1-CD2 3.83Å; I153-L380 HydrophobicContact CD1-CG 4.23Å; I153-L380 HydrophobicContact CG1-CD1 3.94Å; I153-L380 HydrophobicContact CG1-CD2 4.49Å; I153-L380 HydrophobicContact CG1-CG 4.38Å; I153-L380 HydrophobicContact CG2-CD1 4.03Å; I153-V381 PolarHBondContact N-O 2.96Å; I153-V382 HydrophobicContact CD1-CG2 4.04Å; I153-V382 HydrophobicContact CG1-CG2 3.95Å; I153-S383 PolarHBondContact O-N 3.29Å |
| 154 | G | 91.5 | Very high | 87.2 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -128.3 | 151.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 155 | L | 86.5 | Confident | 87.2 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -104 | 139.8 | 178.2 | -52 | -169.6 | 0 | 0 | 0 | 110.8 | I153 F164 I182 I186 W303 | I153-L155 HydrophobicContact CD1-CD2 4.45Å; L155-F164 HydrophobicContact CD1-CD1 3.79Å; L155-F164 HydrophobicContact CD1-CE1 4.05Å; L155-F164 HydrophobicContact CD1-CG 4.26Å; L155-F164 HydrophobicContact CD2-CB 3.55Å; L155-F164 HydrophobicContact CD2-CD1 4.12Å; L155-F164 HydrophobicContact CD2-CD2 4.4Å; L155-F164 HydrophobicContact CD2-CG 3.79Å; L155-I182 HydrophobicContact CB-CG2 4.12Å; L155-I182 HydrophobicContact CD1-CG2 4.2Å; L155-I182 HydrophobicContact CG-CG2 4.41Å; L155-I182 WeakPolarHBondContact O-CD1 3.39Å; L155-I186 HydrophobicContact CD1-CD1 3.55Å; L155-I186 HydrophobicContact CD1-CG1 4.22Å; L155-I186 HydrophobicContact CG-CD1 4.33Å; L155-W303 HydrophobicContact CD1-CH2 3.6Å; L155-W303 HydrophobicContact CD1-CZ2 4.26Å; L155-W303 HydrophobicContact CD1-CZ3 4.01Å | ||
| 156 | R | 75.5 | Confident | 87.2 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | trans | -157.3 | -42.2 | 174.2 | -169.2 | 61 | 179.4 | 154.3 | 12.3 | 114.9 | G140 P142 S160 D460 | G140-R156 PolarHBondContact O-NE 3.11Å; P142-R156 HydrophobicContact CG-CB 3.63Å; P142-R156 HydrophobicContact CG-CG 4.29Å; R156-S160 PolarHBondContact N-OG 3.22Å; R156-D460 IonicContact CZ-OD2 2.66Å; R156-D460 IonicContact NH1-OD2 3.28Å; R156-D460 IonicContact NH2-OD2 3.57Å; R156-D460 PolarHBondContact NH2-OD2 2.9Å | ||
| 157 | D | 72.2 | Confident | 87.2 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 17% | 0.166 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -124.2 | 171.8 | -176.8 | 55.8 | 32.7 | 0 | 0 | 0 | 110.7 | E159 S160 I161 R396 | D157-E159 PolarHBondContact O-N 3.11Å; D157-E159 PolarHBondContact OD1-N 3.02Å; D157-S160 PolarHBondContact N-OG 2.93Å; D157-S160 PolarHBondContact O-N 2.99Å; D157-S160 PolarHBondContact O-OG 3.02Å; D157-S160 WeakPolarHBondContact OD1-CB 3.28Å; D157-S160 PolarHBondContact OD1-N 3.28Å; D157-S160 PolarHBondContact OD1-OG 3.17Å; D157-I161 WeakPolarHBondContact O-CG1 3.41Å; D157-I161 PolarHBondContact O-N 3.32Å; D157-R396 IonicContact OD2-CZ 2.9Å; D157-R396 IonicContact OD2-NH1 3.8Å; D157-R396 PolarHBondContact OD2-NH1 2.91Å; D157-R396 IonicContact OD2-NH2 3.59Å; D157-R396 PolarHBondContact OD2-NH2 3.18Å |
| 158 | T | 71.4 | Confident | 87.5 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.2 | -28.2 | -176.2 | 52.9 | 0 | 0 | 0 | 0 | 113 | E87 I161 K162 | E87-T158 VanDerWaalsContact CD-CB 3.5Å; E87-T158 HydrophobicContact CG-CG2 3.78Å; E87-T158 VanDerWaalsContact OE1-CB 3.22Å; E87-T158 WeakPolarHBondContact OE1-CB 3.41Å; E87-T158 WeakPolarHBondContact OE1-CG2 3.47Å; E87-T158 PolarHBondContact OE1-OG1 3.41Å; E87-T158 WeakPolarHBondContact OE2-CB 3.39Å; E87-T158 PolarHBondContact OE2-OG1 2.99Å; T158-I161 PolarHBondContact O-N 3.28Å; T158-K162 WeakPolarHBondContact O-CG 3.28Å; T158-K162 PolarHBondContact O-N 3.1Å |
| 159 | E | 75 | Confident | 87.5 | Confident | 125 Ų | 125 | 53.9 Ų | 53.9 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -48.7 | 171.8 | -173.7 | 176.7 | -167.8 | 0 | 0 | 110.7 | D157 I161 K162 T163 | D157-E159 PolarHBondContact O-N 3.11Å; D157-E159 PolarHBondContact OD1-N 3.02Å; E159-I161 PolarHBondContact O-N 3.36Å; E159-K162 PolarHBondContact O-N 2.97Å; E159-K162 VanDerWaalsContact O-N 3.08Å; E159-T163 PolarHBondContact O-N 2.99Å; E159-T163 PolarHBondContact O-OG1 3.21Å |
| 160 | S | 84 | Confident | 87.3 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.4 | -34 | 174.6 | 70 | 0 | 0 | 0 | 0 | 112.5 | R156 D157 F164 | R156-S160 PolarHBondContact N-OG 3.22Å; D157-S160 PolarHBondContact N-OG 2.93Å; D157-S160 PolarHBondContact O-N 2.99Å; D157-S160 PolarHBondContact O-OG 3.02Å; D157-S160 WeakPolarHBondContact OD1-CB 3.28Å; D157-S160 PolarHBondContact OD1-N 3.28Å; D157-S160 PolarHBondContact OD1-OG 3.17Å; S160-F164 VanDerWaalsContact O-CB 3.24Å; S160-F164 WeakPolarHBondContact O-CB 3.26Å; S160-F164 PolarHBondContact O-N 3.34Å |
| 161 | I | 84 | Confident | 87.2 | Confident | 13 Ų | 13 | 50.2 Ų | 50.2 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 174.2 | -65.2 | 163.9 | 0 | 0 | 0 | 111.2 | D157 T158 E159 F164 Q165 W303 | D157-I161 WeakPolarHBondContact O-CG1 3.41Å; D157-I161 PolarHBondContact O-N 3.32Å; T158-I161 PolarHBondContact O-N 3.28Å; E159-I161 PolarHBondContact O-N 3.36Å; I161-F164 WeakPolarHBondContact O-CB 3.49Å; I161-F164 PolarHBondContact O-N 3.37Å; I161-Q165 HydrophobicContact CG2-CG 4.4Å; I161-Q165 WeakPolarHBondContact O-CG 3.35Å; I161-Q165 PolarHBondContact O-N 2.75Å; I161-W303 HydrophobicContact CD1-CD2 4.39Å; I161-W303 HydrophobicContact CD1-CE3 3.64Å; I161-W303 HydrophobicContact CD1-CZ3 4.32Å; I161-W303 HydrophobicContact CG1-CE3 3.93Å; I161-W303 HydrophobicContact CG1-CZ3 4.1Å; I161-W303 HydrophobicContact CG2-CZ3 4.41Å |
| 162 | K | 83.5 | Confident | 87 | Confident | 128 Ų | 128 | 48 Ų | 48 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.7 | -44.7 | 175.7 | -74.1 | 174.6 | -175.5 | 173.2 | 0 | 111.4 | T158 E159 F164 Q165 H166 | T158-K162 WeakPolarHBondContact O-CG 3.28Å; T158-K162 PolarHBondContact O-N 3.1Å; E159-K162 PolarHBondContact O-N 2.97Å; E159-K162 VanDerWaalsContact O-N 3.08Å; K162-F164 VanDerWaalsContact C-N 3.29Å; K162-F164 PolarHBondContact O-N 3.15Å; K162-Q165 PolarHBondContact O-N 2.92Å; K162-H166 WeakPolarHBondContact O-CB 3.36Å; K162-H166 PolarHBondContact O-N 2.72Å |
| 163 | T | 87.7 | Confident | 86.9 | Confident | 68 Ų | 68 | 47.6 Ų | 47.6 | 42% | 0.417 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | E159 H166 R167 | E159-T163 PolarHBondContact O-N 2.99Å; E159-T163 PolarHBondContact O-OG1 3.21Å; T163-H166 PolarHBondContact O-N 2.67Å; T163-R167 HydrophobicContact CG2-CG 4.36Å; T163-R167 WeakPolarHBondContact O-CB 3.28Å; T163-R167 WeakPolarHBondContact O-CG 3.38Å; T163-R167 PolarHBondContact O-N 3.06Å |
| 164 | F | 93 | Very high | 87 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -50.4 | 175.6 | 177.3 | -131.6 | 0 | 0 | 0 | 112.6 | I153 L155 S160 I161 K162 H166 R167 L168 M174 I186 V190 L309 L380 V382 | I153-F164 HydrophobicContact CD1-CB 4.13Å; I153-F164 HydrophobicContact CD1-CD2 3.43Å; I153-F164 VanDerWaalsContact CD1-CD2 3.43Å; I153-F164 HydrophobicContact CD1-CE2 4.2Å; I153-F164 HydrophobicContact CD1-CG 4.18Å; L155-F164 HydrophobicContact CD1-CD1 3.79Å; L155-F164 HydrophobicContact CD1-CE1 4.05Å; L155-F164 HydrophobicContact CD1-CG 4.26Å; L155-F164 HydrophobicContact CD2-CB 3.55Å; L155-F164 HydrophobicContact CD2-CD1 4.12Å; L155-F164 HydrophobicContact CD2-CD2 4.4Å; L155-F164 HydrophobicContact CD2-CG 3.79Å; S160-F164 VanDerWaalsContact O-CB 3.24Å; S160-F164 WeakPolarHBondContact O-CB 3.26Å; S160-F164 PolarHBondContact O-N 3.34Å; I161-F164 WeakPolarHBondContact O-CB 3.49Å; I161-F164 PolarHBondContact O-N 3.37Å; K162-F164 VanDerWaalsContact C-N 3.29Å; K162-F164 PolarHBondContact O-N 3.15Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 PolarHBondContact O-N 2.99Å; F164-R167 PolarHBondContact O-N 3.4Å; F164-L168 HydrophobicContact CE2-CD1 4.48Å; F164-L168 VanDerWaalsContact O-CB 3.29Å; F164-L168 WeakPolarHBondContact O-CB 3.42Å; F164-L168 PolarHBondContact O-N 3.13Å; F164-M174 HydrophobicContact CE2-CE 3.47Å; F164-M174 VanDerWaalsContact CE2-CE 3.47Å; F164-M174 HydrophobicContact CE2-SD 4.28Å; F164-M174 HydrophobicContact CZ-CE 3.83Å; F164-M174 HydrophobicContact CZ-SD 4.48Å; F164-I186 HydrophobicContact CE1-CD1 4.5Å; F164-I186 HydrophobicContact CE1-CG1 4.45Å; F164-I186 HydrophobicContact CZ-CD1 4.36Å; F164-I186 HydrophobicContact CZ-CG2 4.31Å; F164-V190 HydrophobicContact CE1-CG2 4.15Å; F164-V190 HydrophobicContact CZ-CG2 3.87Å; F164-L309 HydrophobicContact CD1-CD2 4.2Å; F164-L309 HydrophobicContact CE1-CD1 4.45Å; F164-L309 HydrophobicContact CE1-CD2 4.11Å; F164-L380 HydrophobicContact CD2-CD2 4.1Å; F164-L380 HydrophobicContact CE2-CD2 4.03Å; F164-V382 HydrophobicContact CD2-CG2 4.4Å; F164-V382 HydrophobicContact CE2-CG2 3.76Å; F164-V382 HydrophobicContact CZ-CG2 4.46Å |
| 165 | Q | 90.4 | Very high | 87.3 | Confident | 49 Ų | 49 | 45.9 Ų | 45.9 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.1 | -45.9 | 176.3 | -74.3 | 177.8 | -57 | 0 | 0 | 111.6 | I161 K162 L168 L169 L309 | I161-Q165 HydrophobicContact CG2-CG 4.4Å; I161-Q165 WeakPolarHBondContact O-CG 3.35Å; I161-Q165 PolarHBondContact O-N 2.75Å; K162-Q165 PolarHBondContact O-N 2.92Å; Q165-L168 PolarHBondContact O-N 2.76Å; Q165-L169 PolarHBondContact O-N 2.86Å; Q165-L309 HydrophobicContact CG-CD2 3.75Å |
| 166 | H | 91.7 | Very high | 87.8 | Confident | 140 Ų | 140 | 45.5 Ų | 45.5 | 65% | 0.648 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.9 | -43.9 | 178.4 | -178.3 | -84.1 | 0 | 0 | 0 | 112.4 | K162 T163 F164 L168 | K162-H166 WeakPolarHBondContact O-CB 3.36Å; K162-H166 PolarHBondContact O-N 2.72Å; T163-H166 PolarHBondContact O-N 2.67Å; F164-H166 VanDerWaalsContact C-N 3.3Å; F164-H166 PolarHBondContact O-N 2.99Å; H166-L168 VanDerWaalsContact C-N 3.3Å; H166-L168 PolarHBondContact O-N 3.47Å |
| 167 | R | 93 | Very high | 88.9 | Confident | 111 Ų | 111 | 43.9 Ų | 43.9 | 42% | 0.419 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.8 | -34.7 | 176.6 | -69 | -74.9 | -172.4 | 149.1 | 5.5 | 111.8 | T163 F164 L169 G170 T171 L380 | T163-R167 HydrophobicContact CG2-CG 4.36Å; T163-R167 WeakPolarHBondContact O-CB 3.28Å; T163-R167 WeakPolarHBondContact O-CG 3.38Å; T163-R167 PolarHBondContact O-N 3.06Å; F164-R167 PolarHBondContact O-N 3.4Å; R167-L169 PolarHBondContact O-N 2.74Å; R167-G170 PolarHBondContact O-N 3.37Å; R167-T171 PolarHBondContact O-OG1 2.88Å; R167-L380 HydrophobicContact CB-CD1 4.38Å; R167-L380 HydrophobicContact CB-CD2 4.13Å |
| 168 | L | 93 | Very high | 90 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -39.2 | -177.3 | -168.9 | 63.5 | 0 | 0 | 0 | 112.1 | F164 Q165 H166 G170 T171 M174 V190 L309 G311 | F164-L168 HydrophobicContact CE2-CD1 4.48Å; F164-L168 VanDerWaalsContact O-CB 3.29Å; F164-L168 WeakPolarHBondContact O-CB 3.42Å; F164-L168 PolarHBondContact O-N 3.13Å; Q165-L168 PolarHBondContact O-N 2.76Å; H166-L168 VanDerWaalsContact C-N 3.3Å; H166-L168 PolarHBondContact O-N 3.47Å; L168-G170 PolarHBondContact O-N 2.84Å; L168-T171 VanDerWaalsContact O-CB 3.29Å; L168-T171 WeakPolarHBondContact O-CB 3.35Å; L168-T171 PolarHBondContact O-N 2.82Å; L168-M174 HydrophobicContact CD1-CE 3.43Å; L168-M174 VanDerWaalsContact CD1-CE 3.43Å; L168-V190 HydrophobicContact CD1-CG1 3.87Å; L168-V190 HydrophobicContact CD2-CG1 4.09Å; L168-V190 HydrophobicContact CD2-CG2 4.35Å; L168-L309 HydrophobicContact CD2-CB 3.96Å; L168-L309 HydrophobicContact CD2-CD2 4.43Å; L168-G311 VanDerWaalsContact O-CA 3.31Å; L168-G311 WeakPolarHBondContact O-CA 3.4Å |
| 169 | L | 90.9 | Very high | 91.2 | Very high | 120 Ų | 120 | 42.2 Ų | 42.2 | 63% | 0.628 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -32.1 | 179.7 | -68.3 | 172.5 | 0 | 0 | 0 | 114 | Q165 R167 | Q165-L169 PolarHBondContact O-N 2.86Å; R167-L169 PolarHBondContact O-N 2.74Å |
| 170 | G | 89.2 | Confident | 91.9 | Very high | 41 Ų | 41 | 36.8 Ų | 36.8 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -3.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R167 L168 | R167-G170 PolarHBondContact O-N 3.37Å; L168-G170 PolarHBondContact O-N 2.84Å |
| 171 | T | 93 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | trans | -87.4 | 120.1 | -168.8 | -63 | 0 | 0 | 0 | 0 | 111.3 | R167 L168 R173 M174 C193 R312 D379 L380 | R167-T171 PolarHBondContact O-OG1 2.88Å; L168-T171 VanDerWaalsContact O-CB 3.29Å; L168-T171 WeakPolarHBondContact O-CB 3.35Å; L168-T171 PolarHBondContact O-N 2.82Å; T171-R173 WeakPolarHBondContact CG2-O 3.03Å; T171-M174 HydrophobicContact CG2-CB 4.06Å; T171-C193 HydrophobicContact CG2-CB 4.23Å; T171-C193 WeakPolarHBondContact O-CB 3.39Å; T171-R312 WeakPolarHBondContact O-CB 3.38Å; T171-R312 PolarHBondContact O-N 2.58Å; T171-D379 HydrophobicContact CG2-CB 4.25Å; T171-L380 HydrophobicContact CG2-CB 4.15Å | ||
| 172 | R | 91.4 | Very high | 92.3 | Very high | 30 Ų | 30 | 35.8 Ų | 35.8 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -87.1 | -43.4 | 171.6 | -54 | 166.9 | -72.9 | 173.1 | -6.3 | 110.9 | C193 Q194 L313 N362 W364 D379 | R172-C193 WeakPolarHBondContact O-CA 3.4Å; R172-C193 WeakPolarHBondContact O-CB 3.5Å; R172-Q194 PolarHBondContact O-N 2.79Å; R172-L313 HydrophobicContact CB-CD2 4.27Å; R172-N362 PolarHBondContact NH1-O 3.4Å; R172-W364 HydrophobicContact CB-CH2 4.08Å; R172-W364 HydrophobicContact CB-CZ3 4Å; R172-W364 VanDerWaalsContact NH2-CE3 3.26Å; R172-D379 WeakPolarHBondContact CA-OD2 3.5Å; R172-D379 WeakPolarHBondContact CB-OD2 3.31Å; R172-D379 WeakPolarHBondContact CG-OD2 3.4Å; R172-D379 IonicContact CZ-OD1 2.8Å; R172-D379 IonicContact CZ-OD2 3.72Å; R172-D379 PolarHBondContact N-OD2 3.41Å; R172-D379 IonicContact NE-OD1 2.65Å; R172-D379 PolarHBondContact NE-OD1 2.96Å; R172-D379 IonicContact NE-OD2 3.38Å; R172-D379 PolarHBondContact NE-OD2 3.07Å; R172-D379 IonicContact NH2-OD1 3.29Å; R172-D379 PolarHBondContact NH2-OD1 3.44Å; R172-D379 IonicContact NH2-OD2 2.79Å |
| 173 | R | 93.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.6 | 176 | -171.3 | -178.7 | -49 | 153.6 | -9.4 | 110.8 | T171 Q194 I196 E346 W364 G377 C378 D379 | T171-R173 WeakPolarHBondContact CG2-O 3.03Å; R173-Q194 CarbonylContact C-O 3.59Å; R173-Q194 VanDerWaalsContact CA-O 3.24Å; R173-Q194 WeakPolarHBondContact CA-O 3.46Å; R173-Q194 HydrophobicContact CB-CB 3.91Å; R173-Q194 HydrophobicContact CG-CB 3.65Å; R173-Q194 WeakPolarHBondContact CG-O 3.39Å; R173-I196 HydrophobicContact CG-CG1 4.13Å; R173-E346 IonicContact CZ-OE1 3.78Å; R173-E346 IonicContact NH1-OE1 3.71Å; R173-E346 PolarHBondContact NH1-OE1 3.35Å; R173-E346 IonicContact NH2-OE1 3.53Å; R173-E346 PolarHBondContact NH2-OE1 2.93Å; R173-W364 HydrophobicContact CB-CH2 3.47Å; R173-W364 VanDerWaalsContact CB-CH2 3.47Å; R173-W364 HydrophobicContact CB-CZ2 4.37Å; R173-W364 HydrophobicContact CB-CZ3 3.63Å; R173-G377 VanDerWaalsContact CD-O 3.26Å; R173-G377 WeakPolarHBondContact CD-O 3.37Å; R173-G377 PolarHBondContact NH1-O 3.19Å; R173-C378 HydrophobicContact CB-CB 4.4Å; R173-C378 HydrophobicContact CG-CB 4.34Å; R173-C378 WeakPolarHBondContact O-CB 3.49Å; R173-D379 PolarHBondContact N-OD2 3.37Å; R173-D379 PolarHBondContact O-N 2.82Å |
| 174 | M | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 140.3 | 175.4 | 179.5 | -170.8 | -57.8 | 0 | 0 | 110.3 | F164 L168 T171 I186 Q194 I195 I196 L380 V382 | F164-M174 HydrophobicContact CE2-CE 3.47Å; F164-M174 VanDerWaalsContact CE2-CE 3.47Å; F164-M174 HydrophobicContact CE2-SD 4.28Å; F164-M174 HydrophobicContact CZ-CE 3.83Å; F164-M174 HydrophobicContact CZ-SD 4.48Å; L168-M174 HydrophobicContact CD1-CE 3.43Å; L168-M174 VanDerWaalsContact CD1-CE 3.43Å; T171-M174 HydrophobicContact CG2-CB 4.06Å; M174-I186 HydrophobicContact SD-CG2 4.27Å; M174-Q194 PolarHBondContact N-O 3.29Å; M174-I195 WeakPolarHBondContact O-CA 3.45Å; M174-I196 PolarHBondContact O-N 2.8Å; M174-L380 CarbonylContact C-O 3.59Å; M174-L380 VanDerWaalsContact CA-O 3.26Å; M174-L380 WeakPolarHBondContact CA-O 3.43Å; M174-L380 HydrophobicContact CE-CD2 3.88Å; M174-L380 HydrophobicContact CG-CB 4.49Å; M174-V382 HydrophobicContact CE-CG2 4.11Å; M174-V382 HydrophobicContact CG-CG2 4.03Å; M174-V382 HydrophobicContact SD-CB 4.21Å; M174-V382 HydrophobicContact SD-CG2 3.4Å; M174-V382 WeakPolarHBondContact SD-CG2 3.49Å |
| 175 | V | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 117.3 | 163.1 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | V177 I196 V198 V368 C378 L380 V381 V382 | V175-V177 HydrophobicContact CG1-CG2 3.87Å; V175-I196 CarbonylContact C-O 3.51Å; V175-I196 WeakPolarHBondContact CA-O 3.29Å; V175-I196 HydrophobicContact CG2-CB 4.28Å; V175-V198 HydrophobicContact CG1-CG2 3.82Å; V175-V368 HydrophobicContact CB-CG2 4.44Å; V175-V368 HydrophobicContact CG2-CB 4.42Å; V175-V368 HydrophobicContact CG2-CG2 4.06Å; V175-C378 HydrophobicContact CG2-CB 3.94Å; V175-L380 PolarHBondContact N-O 2.75Å; V175-V381 HydrophobicContact CB-CG1 4.43Å; V175-V381 HydrophobicContact CB-CG2 4.35Å; V175-V381 HydrophobicContact CG1-CG1 4.48Å; V175-V381 CarbonylContact O-C 3.58Å; V175-V381 VanDerWaalsContact O-CA 3.27Å; V175-V381 WeakPolarHBondContact O-CA 3.48Å; V175-V382 PolarHBondContact O-N 2.86Å |
| 176 | L | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 125.2 | 175.8 | 172.6 | 63.5 | 0 | 0 | 0 | 108.8 | A183 I186 A187 I195 I196 W197 V198 V382 A384 | L176-A183 HydrophobicContact CD1-CB 4.22Å; L176-A183 HydrophobicContact CD2-CB 4.25Å; L176-A183 VanDerWaalsContact CD2-O 3.3Å; L176-A183 WeakPolarHBondContact CD2-O 3.4Å; L176-A183 HydrophobicContact CG-CB 4.31Å; L176-I186 HydrophobicContact CD1-CB 4.31Å; L176-I186 HydrophobicContact CD1-CD1 4.12Å; L176-I186 HydrophobicContact CD1-CG2 4.04Å; L176-I186 HydrophobicContact CD2-CB 4.07Å; L176-I186 HydrophobicContact CD2-CG2 3.86Å; L176-I186 HydrophobicContact CG-CG2 4.48Å; L176-A187 HydrophobicContact CD2-CB 3.96Å; L176-I195 HydrophobicContact CB-CG2 4.02Å; L176-I195 HydrophobicContact CD2-CG2 4.33Å; L176-I196 PolarHBondContact N-O 2.82Å; L176-W197 HydrophobicContact CD2-CB 4.49Å; L176-W197 HydrophobicContact CD2-CD2 4.39Å; L176-W197 HydrophobicContact CD2-CG 3.99Å; L176-W197 HydrophobicContact CG-CG 4.38Å; L176-W197 CarbonylContact O-C 3.47Å; L176-W197 WeakPolarHBondContact O-CA 3.27Å; L176-V198 PolarHBondContact O-N 2.89Å; L176-V382 HydrophobicContact CD1-CB 3.82Å; L176-V382 HydrophobicContact CD1-CG1 3.82Å; L176-A384 HydrophobicContact CD1-CB 4.21Å |
| 177 | V | 98.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 18 Ų | 18 | 7% | 0.067 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 130.1 | -176.3 | -166.1 | 0 | 0 | 0 | 0 | 111.3 | I145 V175 V198 I330 V381 V382 A384 V385 | I145-V177 HydrophobicContact CD1-CB 3.52Å; I145-V177 HydrophobicContact CD1-CG1 3.46Å; I145-V177 VanDerWaalsContact CD1-CG1 3.46Å; I145-V177 HydrophobicContact CD1-CG2 3.77Å; V175-V177 HydrophobicContact CG1-CG2 3.87Å; V177-V198 WeakPolarHBondContact CA-O 3.03Å; V177-V198 HydrophobicContact CG1-CB 4.48Å; V177-V198 HydrophobicContact CG2-CB 4.42Å; V177-I330 HydrophobicContact CG2-CD1 3.55Å; V177-I330 HydrophobicContact CG2-CG1 4.04Å; V177-V381 HydrophobicContact CG2-CG1 4.2Å; V177-V382 PolarHBondContact N-O 3.47Å; V177-A384 CarbonylContact O-C 3.47Å; V177-A384 VanDerWaalsContact O-C 3.3Å; V177-A384 VanDerWaalsContact O-CA 3.31Å; V177-A384 WeakPolarHBondContact O-CA 3.32Å; V177-A384 PolarHBondContact O-N 3.4Å; V177-V385 HydrophobicContact CB-CG1 4.36Å; V177-V385 HydrophobicContact CG1-CG1 3.91Å |
| 178 | G | 95.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 15.5 Ų | 15.5 | 10% | 0.103 | 9% | 0.093 | C | C | . | . | trans | 114.2 | 160.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | A183 W197 V198 | G178-A183 WeakPolarHBondContact O-CB 3.47Å; G178-W197 PolarHBondContact O-NE1 2.86Å; G178-V198 PolarHBondContact N-O 2.91Å; G178-V198 VanDerWaalsContact N-O 3.13Å | ||
| 179 | N | 95 | Very high | 91.9 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 6% | 0.059 | 11% | 0.109 | C | C | . | . | trans | -123.5 | 14.4 | -168.7 | -152.1 | 21.6 | 0 | 0 | 0 | 113.2 | W197 I199 D201 S203 I204 S205 T206 P207 | N179-W197 WeakPolarHBondContact OD1-CZ2 3.24Å; N179-I199 HydrophobicContact CB-CB 4.24Å; N179-I199 HydrophobicContact CB-CG2 3.96Å; N179-D201 WeakPolarHBondContact CB-OD2 3.07Å; N179-D201 PolarHBondContact ND2-OD2 2.93Å; N179-S203 PolarHBondContact ND2-O 2.93Å; N179-I204 WeakPolarHBondContact OD1-CA 3.17Å; N179-S205 VanDerWaalsContact CG-N 3.28Å; N179-S205 PolarHBondContact ND2-N 2.73Å; N179-S205 WeakPolarHBondContact O-CA 3.4Å; N179-S205 PolarHBondContact OD1-N 3.11Å; N179-T206 PolarHBondContact ND2-N 2.84Å; N179-T206 PolarHBondContact ND2-OG1 2.93Å; N179-P207 WeakPolarHBondContact O-CD 3.33Å | ||
| 180 | G | 90.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 14 Ų | 14 | 11% | 0.113 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -83.8 | -169.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I182 A183 T184 | G180-I182 PolarHBondContact O-N 3.05Å; G180-A183 PolarHBondContact O-N 2.81Å; G180-T184 PolarHBondContact O-N 3.4Å; G180-T184 PolarHBondContact O-OG1 3.09Å |
| 181 | G | 88.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.9 | -49.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A183 T184 E185 F208 | G181-A183 VanDerWaalsContact C-N 3.25Å; G181-A183 PolarHBondContact O-N 3.34Å; G181-A183 VanDerWaalsContact O-N 3.17Å; G181-T184 PolarHBondContact O-N 3.09Å; G181-T184 VanDerWaalsContact O-N 3.09Å; G181-E185 VanDerWaalsContact C-OE1 3.24Å; G181-E185 WeakPolarHBondContact O-CB 3.26Å; G181-E185 VanDerWaalsContact O-CG 3.3Å; G181-E185 WeakPolarHBondContact O-CG 3.26Å; G181-E185 PolarHBondContact O-N 3.39Å; G181-F208 VanDerWaalsContact N-CE2 3.31Å |
| 182 | I | 87.8 | Confident | 91.5 | Very high | 14 Ų | 14 | 13.9 Ų | 13.9 | 7% | 0.072 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -51.1 | -47.9 | 176.6 | -54.6 | -175.6 | 0 | 0 | 0 | 110.8 | L155 G180 I186 P299 A384 | L155-I182 HydrophobicContact CB-CG2 4.12Å; L155-I182 HydrophobicContact CD1-CG2 4.2Å; L155-I182 HydrophobicContact CG-CG2 4.41Å; L155-I182 WeakPolarHBondContact O-CD1 3.39Å; G180-I182 PolarHBondContact O-N 3.05Å; I182-I186 HydrophobicContact CG2-CD1 3.74Å; I182-I186 HydrophobicContact CG2-CG1 4.38Å; I182-I186 WeakPolarHBondContact O-CB 3.46Å; I182-I186 WeakPolarHBondContact O-CG1 3.42Å; I182-I186 PolarHBondContact O-N 3.11Å; I182-P299 HydrophobicContact CB-CG 4.39Å; I182-P299 HydrophobicContact CG1-CB 4.29Å; I182-P299 HydrophobicContact CG1-CG 3.65Å; I182-A384 HydrophobicContact CB-CB 4.09Å; I182-A384 HydrophobicContact CG2-CB 3.98Å |
| 183 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -67.9 | -45.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L176 G178 G180 G181 E185 I186 A187 W197 A384 | L176-A183 HydrophobicContact CD1-CB 4.22Å; L176-A183 HydrophobicContact CD2-CB 4.25Å; L176-A183 VanDerWaalsContact CD2-O 3.3Å; L176-A183 WeakPolarHBondContact CD2-O 3.4Å; L176-A183 HydrophobicContact CG-CB 4.31Å; G178-A183 WeakPolarHBondContact O-CB 3.47Å; G180-A183 PolarHBondContact O-N 2.81Å; G181-A183 VanDerWaalsContact C-N 3.25Å; G181-A183 PolarHBondContact O-N 3.34Å; G181-A183 VanDerWaalsContact O-N 3.17Å; A183-E185 VanDerWaalsContact C-N 3.29Å; A183-E185 PolarHBondContact O-N 2.79Å; A183-I186 PolarHBondContact O-N 3.22Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.2Å; A183-W197 HydrophobicContact CB-CZ2 4.24Å; A183-A384 HydrophobicContact CB-CB 3.85Å |
| 184 | T | 91.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | G180 G181 A187 H188 W197 S205 F517 F518 | G180-T184 PolarHBondContact O-N 3.4Å; G180-T184 PolarHBondContact O-OG1 3.09Å; G181-T184 PolarHBondContact O-N 3.09Å; G181-T184 VanDerWaalsContact O-N 3.09Å; T184-A187 PolarHBondContact O-N 2.8Å; T184-H188 PolarHBondContact O-N 2.96Å; T184-W197 HydrophobicContact CG2-CH2 4.39Å; T184-S205 WeakPolarHBondContact CG2-OG 3.15Å; T184-S205 PolarHBondContact OG1-OG 2.75Å; T184-F517 HydrophobicContact CG2-CB 3.86Å; T184-F517 HydrophobicContact CG2-CD1 3.57Å; T184-F517 HydrophobicContact CG2-CD2 3.82Å; T184-F517 HydrophobicContact CG2-CE1 4.06Å; T184-F517 HydrophobicContact CG2-CE2 4.25Å; T184-F517 HydrophobicContact CG2-CG 3.48Å; T184-F517 VanDerWaalsContact CG2-CG 3.48Å; T184-F517 HydrophobicContact CG2-CZ 4.38Å; T184-F518 HydrophobicContact CG2-CD2 4.46Å; T184-F518 HydrophobicContact CG2-CE2 3.75Å; T184-F518 HydrophobicContact CG2-CZ 4.36Å |
| 185 | E | 88.6 | Confident | 91.4 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 4% | 0.042 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 179.1 | -66.8 | 165.7 | -116.3 | 0 | 0 | 111 | G181 A183 A187 H188 E189 W303 F517 | G181-E185 VanDerWaalsContact C-OE1 3.24Å; G181-E185 WeakPolarHBondContact O-CB 3.26Å; G181-E185 VanDerWaalsContact O-CG 3.3Å; G181-E185 WeakPolarHBondContact O-CG 3.26Å; G181-E185 PolarHBondContact O-N 3.39Å; A183-E185 VanDerWaalsContact C-N 3.29Å; A183-E185 PolarHBondContact O-N 2.79Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.13Å; E185-H188 PolarHBondContact O-N 3.43Å; E185-H188 VanDerWaalsContact O-N 3.1Å; E185-E189 VanDerWaalsContact O-CB 3.27Å; E185-E189 WeakPolarHBondContact O-CB 3.39Å; E185-E189 VanDerWaalsContact O-CG 3.24Å; E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 3.23Å; E185-W303 HydrophobicContact CB-CZ2 4.26Å; E185-W303 PolarHBondContact OE2-NE1 3Å; E185-F517 HydrophobicContact CG-CD1 3.82Å; E185-F517 HydrophobicContact CG-CE1 3.78Å |
| 186 | I | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 174.3 | -70.6 | 174 | 0 | 0 | 0 | 111.6 | L155 F164 M174 L176 I182 A183 H188 V190 W303 V382 | L155-I186 HydrophobicContact CD1-CD1 3.55Å; L155-I186 HydrophobicContact CD1-CG1 4.22Å; L155-I186 HydrophobicContact CG-CD1 4.33Å; F164-I186 HydrophobicContact CE1-CD1 4.5Å; F164-I186 HydrophobicContact CE1-CG1 4.45Å; F164-I186 HydrophobicContact CZ-CD1 4.36Å; F164-I186 HydrophobicContact CZ-CG2 4.31Å; M174-I186 HydrophobicContact SD-CG2 4.27Å; L176-I186 HydrophobicContact CD1-CB 4.31Å; L176-I186 HydrophobicContact CD1-CD1 4.12Å; L176-I186 HydrophobicContact CD1-CG2 4.04Å; L176-I186 HydrophobicContact CD2-CB 4.07Å; L176-I186 HydrophobicContact CD2-CG2 3.86Å; L176-I186 HydrophobicContact CG-CG2 4.48Å; I182-I186 HydrophobicContact CG2-CD1 3.74Å; I182-I186 HydrophobicContact CG2-CG1 4.38Å; I182-I186 WeakPolarHBondContact O-CB 3.46Å; I182-I186 WeakPolarHBondContact O-CG1 3.42Å; I182-I186 PolarHBondContact O-N 3.11Å; A183-I186 PolarHBondContact O-N 3.22Å; I186-H188 PolarHBondContact O-N 3.08Å; I186-V190 HydrophobicContact CB-CG2 4.47Å; I186-V190 HydrophobicContact CG2-CB 4.44Å; I186-V190 HydrophobicContact CG2-CG2 3.73Å; I186-V190 VanDerWaalsContact O-CB 3.3Å; I186-V190 WeakPolarHBondContact O-CB 3.37Å; I186-V190 WeakPolarHBondContact O-CG2 3.44Å; I186-V190 PolarHBondContact O-N 3.31Å; I186-V190 VanDerWaalsContact O-N 3.08Å; I186-W303 HydrophobicContact CG1-CH2 3.87Å; I186-W303 HydrophobicContact CG1-CZ2 3.92Å; I186-V382 HydrophobicContact CD1-CG1 3.7Å |
| 187 | A | 90.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.3 | -23 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L176 A183 T184 E185 W197 L322 | L176-A187 HydrophobicContact CD2-CB 3.96Å; A183-A187 WeakPolarHBondContact O-CB 3.41Å; A183-A187 PolarHBondContact O-N 3.2Å; T184-A187 PolarHBondContact O-N 2.8Å; E185-A187 VanDerWaalsContact C-N 3.3Å; E185-A187 PolarHBondContact O-N 3.13Å; A187-W197 HydrophobicContact CB-CD2 3.9Å; A187-W197 HydrophobicContact CB-CE3 3.5Å; A187-W197 HydrophobicContact CB-CH2 4.26Å; A187-W197 HydrophobicContact CB-CZ3 3.7Å; A187-L322 HydrophobicContact CB-CD1 4.08Å; A187-L322 HydrophobicContact CB-CD2 4.24Å |
| 188 | H | 84.4 | Confident | 91.3 | Very high | 60 Ų | 60 | 12.3 Ų | 12.3 | 28% | 0.278 | 7% | 0.07 | S | C | . | . | H | α-helix | trans | -92 | -49 | 175.9 | -177.2 | 51.1 | 0 | 0 | 0 | 112.8 | T184 E185 I186 F518 | T184-H188 PolarHBondContact O-N 2.96Å; E185-H188 PolarHBondContact O-N 3.43Å; E185-H188 VanDerWaalsContact O-N 3.1Å; I186-H188 PolarHBondContact O-N 3.08Å; H188-F518 HydrophobicContact CB-CD1 4.04Å; H188-F518 HydrophobicContact CB-CE1 4.11Å; H188-F518 AromaticContact CG-CD1 3.88Å; H188-F518 AromaticContact ND1-CD1 3.51Å; H188-F518 WeakPolarHBondContact NE2-CA 3.39Å |
| 189 | E | 84.5 | Confident | 91.4 | Very high | 76 Ų | 76 | 11.9 Ų | 11.9 | 36% | 0.355 | 7% | 0.065 | S | C | . | . | H | α-helix | trans | -83.7 | -27.7 | -167.1 | -64.8 | -62.8 | 149.5 | 0 | 0 | 113.8 | E185 S191 A304 L309 | E185-E189 VanDerWaalsContact O-CB 3.27Å; E185-E189 WeakPolarHBondContact O-CB 3.39Å; E185-E189 VanDerWaalsContact O-CG 3.24Å; E185-E189 WeakPolarHBondContact O-CG 3.42Å; E185-E189 PolarHBondContact O-N 3.23Å; E189-S191 PolarHBondContact O-N 2.75Å; E189-A304 HydrophobicContact CB-CB 4.15Å; E189-A304 HydrophobicContact CG-CB 3.74Å; E189-L309 HydrophobicContact CB-CD1 4.05Å |
| 190 | V | 89.3 | Confident | 91.4 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 7% | 0.067 | 9% | 0.09 | C | C | . | . | trans | -77.2 | 124.6 | 179.5 | 174 | 0 | 0 | 0 | 0 | 110.4 | F164 L168 I186 C193 I195 L309 | F164-V190 HydrophobicContact CE1-CG2 4.15Å; F164-V190 HydrophobicContact CZ-CG2 3.87Å; L168-V190 HydrophobicContact CD1-CG1 3.87Å; L168-V190 HydrophobicContact CD2-CG1 4.09Å; L168-V190 HydrophobicContact CD2-CG2 4.35Å; I186-V190 HydrophobicContact CB-CG2 4.47Å; I186-V190 HydrophobicContact CG2-CB 4.44Å; I186-V190 HydrophobicContact CG2-CG2 3.73Å; I186-V190 VanDerWaalsContact O-CB 3.3Å; I186-V190 WeakPolarHBondContact O-CB 3.37Å; I186-V190 WeakPolarHBondContact O-CG2 3.44Å; I186-V190 PolarHBondContact O-N 3.31Å; I186-V190 VanDerWaalsContact O-N 3.08Å; V190-C193 VanDerWaalsContact CG1-SG 3.53Å; V190-I195 HydrophobicContact CB-CD1 3.75Å; V190-I195 HydrophobicContact CG1-CD1 3.87Å; V190-I195 HydrophobicContact CG1-CG1 4.43Å; V190-L309 HydrophobicContact CG2-CB 4.1Å; V190-L309 HydrophobicContact CG2-CD1 4.26Å | ||
| 191 | S | 87.8 | Confident | 91.6 | Very high | 40 Ų | 40 | 19.5 Ų | 19.5 | 28% | 0.28 | 10% | 0.097 | S | C | . | . | B | Isolated β-bridge | trans | -118.9 | 172.4 | 173.9 | 61 | 0 | 0 | 0 | 0 | 110.9 | E189 C193 L309 H310 G311 | E189-S191 PolarHBondContact O-N 2.75Å; S191-C193 VanDerWaalsContact C-N 3.26Å; S191-C193 PolarHBondContact O-N 2.81Å; S191-L309 PolarHBondContact N-O 2.97Å; S191-L309 PolarHBondContact OG-O 3.33Å; S191-H310 CarbonylContact O-C 3.56Å; S191-H310 WeakPolarHBondContact O-CA 3.19Å; S191-H310 PolarHBondContact OG-ND1 2.85Å; S191-G311 PolarHBondContact O-N 3.19Å |
| 192 | G | 87.7 | Confident | 91.7 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 70.3 | 14.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H310 G311 R312 L313 | G192-H310 VanDerWaalsContact CA-CE1 3.48Å; G192-H310 WeakPolarHBondContact CA-CE1 3.41Å; G192-G311 CarbonylContact O-C 3.58Å; G192-G311 WeakPolarHBondContact O-CA 3.27Å; G192-R312 PolarHBondContact O-N 3.33Å; G192-L313 WeakPolarHBondContact CA-O 3.32Å; G192-L313 WeakPolarHBondContact O-CA 3.46Å; G192-L313 VanDerWaalsContact O-CB 3.26Å; G192-L313 WeakPolarHBondContact O-CB 3.28Å; G192-L313 PolarHBondContact O-N 3.31Å |
| 193 | C | 89.7 | Confident | 91.9 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -150.4 | 157.4 | 167.6 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | T171 R172 V190 S191 L321 | T171-C193 HydrophobicContact CG2-CB 4.23Å; T171-C193 WeakPolarHBondContact O-CB 3.39Å; R172-C193 WeakPolarHBondContact O-CA 3.4Å; R172-C193 WeakPolarHBondContact O-CB 3.5Å; V190-C193 VanDerWaalsContact CG1-SG 3.53Å; S191-C193 VanDerWaalsContact C-N 3.26Å; S191-C193 PolarHBondContact O-N 2.81Å; C193-L321 WeakPolarHBondContact O-CB 3.28Å |
| 194 | Q | 92.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 3% | 0.033 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 127.3 | 168.2 | -75.9 | 179.6 | -4 | 0 | 0 | 110.4 | R172 R173 M174 L313 L321 F350 | R172-Q194 PolarHBondContact O-N 2.79Å; R173-Q194 CarbonylContact C-O 3.59Å; R173-Q194 VanDerWaalsContact CA-O 3.24Å; R173-Q194 WeakPolarHBondContact CA-O 3.46Å; R173-Q194 HydrophobicContact CB-CB 3.91Å; R173-Q194 HydrophobicContact CG-CB 3.65Å; R173-Q194 WeakPolarHBondContact CG-O 3.39Å; M174-Q194 PolarHBondContact N-O 3.29Å; Q194-L313 HydrophobicContact CG-CD1 4.29Å; Q194-L321 CarbonylContact C-O 3.52Å; Q194-L321 HydrophobicContact CG-CD1 4.5Å; Q194-L321 HydrophobicContact CG-CD2 3.9Å; Q194-F350 HydrophobicContact CB-CD2 4.35Å; Q194-F350 HydrophobicContact CB-CE2 3.72Å; Q194-F350 VanDerWaalsContact CD-CD2 3.48Å; Q194-F350 HydrophobicContact CG-CD2 3.69Å; Q194-F350 HydrophobicContact CG-CE2 3.52Å |
| 195 | I | 95 | Very high | 91.9 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 117.8 | 178.7 | -54.5 | 174.9 | 0 | 0 | 0 | 108.6 | M174 L176 V190 L321 L322 K323 | M174-I195 WeakPolarHBondContact O-CA 3.45Å; L176-I195 HydrophobicContact CB-CG2 4.02Å; L176-I195 HydrophobicContact CD2-CG2 4.33Å; V190-I195 HydrophobicContact CB-CD1 3.75Å; V190-I195 HydrophobicContact CG1-CD1 3.87Å; V190-I195 HydrophobicContact CG1-CG1 4.43Å; I195-L321 PolarHBondContact N-O 2.97Å; I195-L322 HydrophobicContact CB-CD1 3.72Å; I195-L322 HydrophobicContact CG2-CD1 3.56Å; I195-L322 WeakPolarHBondContact O-CA 3.44Å; I195-K323 PolarHBondContact O-N 3.43Å |
| 196 | I | 96.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 100.1 | 172.1 | -47.2 | -50.2 | 0 | 0 | 0 | 107.4 | R173 M174 V175 L176 V198 K323 V325 P349 F350 Y376 | R173-I196 HydrophobicContact CG-CG1 4.13Å; M174-I196 PolarHBondContact O-N 2.8Å; V175-I196 CarbonylContact C-O 3.51Å; V175-I196 WeakPolarHBondContact CA-O 3.29Å; V175-I196 HydrophobicContact CG2-CB 4.28Å; L176-I196 PolarHBondContact N-O 2.82Å; I196-V198 HydrophobicContact CG2-CG2 4.22Å; I196-V198 PolarHBondContact O-N 2.9Å; I196-K323 CarbonylContact C-O 3.57Å; I196-K323 WeakPolarHBondContact CA-O 3.36Å; I196-K323 HydrophobicContact CD1-CB 3.89Å; I196-K323 HydrophobicContact CD1-CG 4.43Å; I196-V325 HydrophobicContact CG2-CG2 3.77Å; I196-P349 HydrophobicContact CD1-CB 3.23Å; I196-P349 HydrophobicContact CD1-CG 3.46Å; I196-P349 VanDerWaalsContact CD1-CG 3.46Å; I196-P349 HydrophobicContact CG1-CB 4.38Å; I196-P349 HydrophobicContact CG1-CG 4.37Å; I196-F350 HydrophobicContact CD1-CE2 3.93Å; I196-F350 HydrophobicContact CD1-CZ 4.25Å; I196-Y376 HydrophobicContact CG1-CD1 4.23Å; I196-Y376 HydrophobicContact CG1-CG 4.43Å; I196-Y376 HydrophobicContact CG2-CD1 4.31Å; I196-Y376 HydrophobicContact CG2-CD2 3.95Å; I196-Y376 HydrophobicContact CG2-CE1 4.3Å; I196-Y376 HydrophobicContact CG2-CE2 3.93Å; I196-Y376 HydrophobicContact CG2-CG 4.13Å |
| 197 | W | 97.6 | Very high | 92 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 104.1 | -176.2 | -172.1 | 12.5 | 0 | 0 | 0 | 110.4 | L176 G178 N179 A183 T184 A187 I199 I204 L322 K323 V324 V325 | L176-W197 HydrophobicContact CD2-CB 4.49Å; L176-W197 HydrophobicContact CD2-CD2 4.39Å; L176-W197 HydrophobicContact CD2-CG 3.99Å; L176-W197 HydrophobicContact CG-CG 4.38Å; L176-W197 CarbonylContact O-C 3.47Å; L176-W197 WeakPolarHBondContact O-CA 3.27Å; G178-W197 PolarHBondContact O-NE1 2.86Å; N179-W197 WeakPolarHBondContact OD1-CZ2 3.24Å; A183-W197 HydrophobicContact CB-CZ2 4.24Å; T184-W197 HydrophobicContact CG2-CH2 4.39Å; A187-W197 HydrophobicContact CB-CD2 3.9Å; A187-W197 HydrophobicContact CB-CE3 3.5Å; A187-W197 HydrophobicContact CB-CH2 4.26Å; A187-W197 HydrophobicContact CB-CZ3 3.7Å; W197-I199 HydrophobicContact CD2-CG2 4.34Å; W197-I199 HydrophobicContact CG-CG2 4.24Å; W197-I199 HydrophobicContact CZ2-CG2 4.4Å; W197-I204 HydrophobicContact CE3-CG2 4.12Å; W197-I204 HydrophobicContact CH2-CB 3.66Å; W197-I204 HydrophobicContact CH2-CD1 4.35Å; W197-I204 HydrophobicContact CH2-CG2 3.82Å; W197-I204 HydrophobicContact CZ2-CB 4.43Å; W197-I204 HydrophobicContact CZ3-CB 3.88Å; W197-I204 HydrophobicContact CZ3-CD1 4.19Å; W197-I204 HydrophobicContact CZ3-CG2 3.57Å; W197-L322 HydrophobicContact CB-CD1 3.92Å; W197-L322 HydrophobicContact CE3-CD1 4.45Å; W197-L322 HydrophobicContact CE3-CD2 4.29Å; W197-K323 PolarHBondContact N-O 3.47Å; W197-V324 HydrophobicContact CB-CG2 4.46Å; W197-V324 HydrophobicContact CE3-CG2 3.88Å; W197-V324 CarbonylContact O-C 3.54Å; W197-V324 WeakPolarHBondContact O-CA 3.45Å; W197-V325 PolarHBondContact O-N 2.89Å |
| 198 | V | 98.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.2 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | V175 L176 V177 G178 I196 T328 L370 | V175-V198 HydrophobicContact CG1-CG2 3.82Å; L176-V198 PolarHBondContact O-N 2.89Å; V177-V198 WeakPolarHBondContact CA-O 3.03Å; V177-V198 HydrophobicContact CG1-CB 4.48Å; V177-V198 HydrophobicContact CG2-CB 4.42Å; G178-V198 PolarHBondContact N-O 2.91Å; G178-V198 VanDerWaalsContact N-O 3.13Å; I196-V198 HydrophobicContact CG2-CG2 4.22Å; I196-V198 PolarHBondContact O-N 2.9Å; V198-T328 HydrophobicContact CG1-CG2 3.72Å; V198-L370 HydrophobicContact CG1-CD1 4.28Å; V198-L370 HydrophobicContact CG1-CD2 3.84Å; V198-L370 HydrophobicContact CG2-CD1 3.95Å; V198-L370 HydrophobicContact CG2-CD2 4.02Å |
| 199 | I | 97.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | trans | -129.2 | 151.5 | -179 | 65.8 | 174 | 0 | 0 | 0 | 112 | N179 W197 S203 I204 V324 V325 Y326 Q327 T328 | N179-I199 HydrophobicContact CB-CB 4.24Å; N179-I199 HydrophobicContact CB-CG2 3.96Å; W197-I199 HydrophobicContact CD2-CG2 4.34Å; W197-I199 HydrophobicContact CG-CG2 4.24Å; W197-I199 HydrophobicContact CZ2-CG2 4.4Å; I199-S203 VanDerWaalsContact CD1-O 3.32Å; I199-S203 WeakPolarHBondContact CD1-O 3.5Å; I199-I204 HydrophobicContact CD1-CG2 4.08Å; I199-V324 HydrophobicContact CD1-CG1 3.98Å; I199-V324 HydrophobicContact CG1-CG1 4.16Å; I199-V325 PolarHBondContact N-O 3.3Å; I199-Y326 HydrophobicContact CD1-CD1 3.6Å; I199-Y326 HydrophobicContact CD1-CE1 3.77Å; I199-Y326 HydrophobicContact CG1-CD1 4.02Å; I199-Y326 CarbonylContact O-C 3.58Å; I199-Q327 PolarHBondContact O-N 2.95Å; I199-T328 CarbonylContact C-O 3.53Å; I199-T328 PolarHBondContact O-N 2.77Å; I199-T328 VanDerWaalsContact O-O 3.06Å | ||
| 200 | K | 95.8 | Very high | 92.5 | Very high | 132 Ų | 132 | 18.8 Ų | 18.8 | 57% | 0.574 | 11% | 0.106 | S | C | * | . | S | Bend | trans | -81.4 | -22.5 | 179.7 | -72.1 | 176.8 | -179.6 | 175.5 | 0 | 112.4 | Q327 K329 | K200-Q327 WeakPolarHBondContact O-CA 3.18Å; K200-K329 HydrophobicContact CD-CD 4.29Å; K200-K329 HydrophobicContact CD-CG 4.13Å; K200-K329 HydrophobicContact CG-CD 4.3Å; K200-K329 HydrophobicContact CG-CG 3.69Å |
| 201 | D | 93.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 21 Ų | 21 | 26% | 0.262 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -91.7 | 167.8 | -171.8 | -43.2 | -98.3 | 0 | 0 | 0 | 111.6 | N179 T206 Q327 | N179-D201 WeakPolarHBondContact CB-OD2 3.07Å; N179-D201 PolarHBondContact ND2-OD2 2.93Å; D201-T206 HydrophobicContact CB-CG2 3.7Å; D201-T206 PolarHBondContact OD1-OG1 2.92Å; D201-T206 PolarHBondContact OD2-OG1 2.97Å; D201-Q327 PolarHBondContact O-N 3.36Å; D201-Q327 VanDerWaalsContact O-N 3.1Å |
| 202 | S | 91.2 | Very high | 92.1 | Very high | 63 Ų | 63 | 21.1 Ų | 21.1 | 44% | 0.441 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -82.1 | -14.4 | 175 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | Y326 | S202-Y326 WeakPolarHBondContact O-CD1 3.27Š|
| 203 | S | 92 | Very high | 92.2 | Very high | 15 Ų | 15 | 21 Ų | 21 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -135.4 | 161.5 | 175.7 | 64.9 | 0 | 0 | 0 | 0 | 112 | N179 I199 T206 | N179-S203 PolarHBondContact ND2-O 2.93Å; I199-S203 VanDerWaalsContact CD1-O 3.32Å; I199-S203 WeakPolarHBondContact CD1-O 3.5Å; S203-T206 WeakPolarHBondContact O-CG2 3.37Å; S203-T206 WeakPolarHBondContact OG-CG2 3.06Å |
| 204 | I | 93.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 156.4 | 177.1 | 63.5 | 162.7 | 0 | 0 | 0 | 111.6 | N179 W197 I199 T206 A214 L218 V324 Y326 F518 | N179-I204 WeakPolarHBondContact OD1-CA 3.17Å; W197-I204 HydrophobicContact CE3-CG2 4.12Å; W197-I204 HydrophobicContact CH2-CB 3.66Å; W197-I204 HydrophobicContact CH2-CD1 4.35Å; W197-I204 HydrophobicContact CH2-CG2 3.82Å; W197-I204 HydrophobicContact CZ2-CB 4.43Å; W197-I204 HydrophobicContact CZ3-CB 3.88Å; W197-I204 HydrophobicContact CZ3-CD1 4.19Å; W197-I204 HydrophobicContact CZ3-CG2 3.57Å; I199-I204 HydrophobicContact CD1-CG2 4.08Å; I204-T206 PolarHBondContact O-N 3.07Å; I204-T206 VanDerWaalsContact O-N 3.15Å; I204-A214 HydrophobicContact CG1-CB 3.79Å; I204-A214 WeakPolarHBondContact O-CB 3.31Å; I204-L218 HydrophobicContact CD1-CD1 4.14Å; I204-L218 HydrophobicContact CD1-CD2 3.75Å; I204-L218 HydrophobicContact CD1-CG 3.77Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å; I204-L218 HydrophobicContact CG1-CG 4.46Å; I204-V324 HydrophobicContact CG2-CG1 4.09Å; I204-V324 HydrophobicContact CG2-CG2 4.37Å; I204-Y326 HydrophobicContact CG2-CE1 4.13Å; I204-F518 HydrophobicContact CD1-CE2 3.82Å; I204-F518 HydrophobicContact CD1-CZ 3.91Å |
| 205 | S | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 29.2 | 168.9 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | N179 T184 P207 F208 L209 | N179-S205 VanDerWaalsContact CG-N 3.28Å; N179-S205 PolarHBondContact ND2-N 2.73Å; N179-S205 WeakPolarHBondContact O-CA 3.4Å; N179-S205 PolarHBondContact OD1-N 3.11Å; T184-S205 WeakPolarHBondContact CG2-OG 3.15Å; T184-S205 PolarHBondContact OG1-OG 2.75Å; S205-P207 VanDerWaalsContact C-N 3.32Å; S205-P207 WeakPolarHBondContact O-CD 3.41Å; S205-P207 VanDerWaalsContact O-N 3.14Å; S205-F208 PolarHBondContact O-N 3.17Å; S205-L209 PolarHBondContact O-N 3.41Å |
| 206 | T | 91.5 | Very high | 91.6 | Very high | 30 Ų | 30 | 24.2 Ų | 24.2 | 18% | 0.184 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.9 | -174 | 50.2 | 0 | 0 | 0 | 0 | 116.4 | N179 D201 S203 I204 F208 L209 | N179-T206 PolarHBondContact ND2-N 2.84Å; N179-T206 PolarHBondContact ND2-OG1 2.93Å; D201-T206 HydrophobicContact CB-CG2 3.7Å; D201-T206 PolarHBondContact OD1-OG1 2.92Å; D201-T206 PolarHBondContact OD2-OG1 2.97Å; S203-T206 WeakPolarHBondContact O-CG2 3.37Å; S203-T206 WeakPolarHBondContact OG-CG2 3.06Å; I204-T206 PolarHBondContact O-N 3.07Å; I204-T206 VanDerWaalsContact O-N 3.15Å; T206-F208 PolarHBondContact O-N 2.92Å; T206-F208 VanDerWaalsContact O-N 3.11Å; T206-L209 WeakPolarHBondContact CA-O 3.47Å |
| 207 | P | 90.6 | Very high | 91.2 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.2 | 174.3 | -22.9 | 35.9 | 0 | 0 | 0 | 113.9 | N179 S205 V294 | N179-P207 WeakPolarHBondContact O-CD 3.33Å; S205-P207 VanDerWaalsContact C-N 3.32Å; S205-P207 WeakPolarHBondContact O-CD 3.41Å; S205-P207 VanDerWaalsContact O-N 3.14Å; P207-V294 HydrophobicContact CB-CG1 4.33Å; P207-V294 HydrophobicContact CG-CG1 4.25Å |
| 208 | F | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -28.3 | -175.7 | -57.1 | -83 | 0 | 0 | 0 | 113.1 | G181 S205 T206 A298 M475 L477 H513 F517 L524 F528 | G181-F208 VanDerWaalsContact N-CE2 3.31Å; S205-F208 PolarHBondContact O-N 3.17Å; T206-F208 PolarHBondContact O-N 2.92Å; T206-F208 VanDerWaalsContact O-N 3.11Å; F208-A298 HydrophobicContact CE1-CB 4.38Å; F208-A298 HydrophobicContact CZ-CB 3.9Å; F208-M475 HydrophobicContact CD1-CE 4.49Å; F208-M475 HydrophobicContact CE1-CE 3.84Å; F208-M475 HydrophobicContact CZ-CE 4.1Å; F208-L477 HydrophobicContact CE1-CD2 4.38Å; F208-H513 AromaticContact CE1-CD2 3.97Å; F208-F517 HydrophobicContact CB-CE2 3.96Å; F208-F517 AromaticContact CD2-CE2 3.96Å; F208-F517 HydrophobicContact CD2-CE2 3.96Å; F208-F517 AromaticContact CD2-CZ 3.94Å; F208-F517 HydrophobicContact CD2-CZ 3.94Å; F208-F517 HydrophobicContact CE2-CZ 4.32Å; F208-F517 AromaticContact CG-CE2 3.96Å; F208-F517 HydrophobicContact CG-CE2 3.96Å; F208-F517 HydrophobicContact CG-CZ 4.18Å; F208-L524 HydrophobicContact CB-CD1 4.07Å; F208-L524 HydrophobicContact CD1-CD1 3.68Å; F208-L524 HydrophobicContact CG-CD1 4.37Å; F208-F528 WeakPolarHBondContact O-CD2 3.16Å; F208-F528 WeakPolarHBondContact O-CE2 3.26Å |
| 209 | L | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -131.4 | 147.5 | -170 | -54.9 | 179.9 | 0 | 0 | 0 | 110.8 | S205 T206 A213 L217 F517 I522 I566 I568 | S205-L209 PolarHBondContact O-N 3.41Å; T206-L209 WeakPolarHBondContact CA-O 3.47Å; L209-A213 HydrophobicContact CB-CB 4.05Å; L209-A213 HydrophobicContact CD2-CB 4.15Å; L209-L217 HydrophobicContact CD1-CD1 3.22Å; L209-L217 HydrophobicContact CD1-CG 4.37Å; L209-F517 HydrophobicContact CD1-CD2 4.35Å; L209-I522 HydrophobicContact CD1-CD1 4.49Å; L209-I522 HydrophobicContact CD2-CD1 4.3Å; L209-I522 HydrophobicContact CD2-CG2 4.21Å; L209-I566 HydrophobicContact CD2-CD1 4.45Å; L209-I566 HydrophobicContact CD2-CG2 4.28Å; L209-I568 HydrophobicContact CD2-CD1 4.28Å | ||
| 210 | D | 84.4 | Confident | 89.1 | Confident | 18 Ų | 18 | 31.3 Ų | 31.3 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | trans | -82.5 | 177.1 | 163.9 | 66.6 | 9 | 0 | 0 | 0 | 110.8 | V212 A213 A214 Y256 K554 | D210-V212 PolarHBondContact O-N 3.37Å; D210-V212 PolarHBondContact OD1-N 2.88Å; D210-A213 PolarHBondContact O-N 2.94Å; D210-A213 VanDerWaalsContact OD1-CB 3.28Å; D210-A213 WeakPolarHBondContact OD1-CB 3.48Å; D210-A213 PolarHBondContact OD1-N 2.74Å; D210-A214 VanDerWaalsContact O-CB 3.26Å; D210-A214 WeakPolarHBondContact O-CB 3.36Å; D210-A214 PolarHBondContact O-N 3.22Å; D210-Y256 PolarHBondContact OD2-OH 2.89Å; D210-K554 IonicContact OD1-NZ 3.65Å; D210-K554 WeakPolarHBondContact OD2-CD 3.41Å; D210-K554 WeakPolarHBondContact OD2-CE 3.49Å; D210-K554 IonicContact OD2-NZ 3.78Å; D210-K554 PolarHBondContact OD2-NZ 3.13Å | ||
| 211 | S | 84.5 | Confident | 88.2 | Confident | 58 Ų | 58 | 26.5 Ų | 26.5 | 41% | 0.406 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.7 | -31.5 | -178.2 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | T215 | S211-T215 WeakPolarHBondContact O-CB 3.13Å; S211-T215 PolarHBondContact O-N 2.88Å; S211-T215 PolarHBondContact O-OG1 3.34Å |
| 212 | V | 84.6 | Confident | 87.5 | Confident | 42 Ų | 42 | 28.5 Ų | 28.5 | 26% | 0.255 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -76 | -47 | -178.3 | -170.2 | 0 | 0 | 0 | 0 | 110.9 | D210 A214 T215 F216 L277 M544 F552 | D210-V212 PolarHBondContact O-N 3.37Å; D210-V212 PolarHBondContact OD1-N 2.88Å; V212-A214 VanDerWaalsContact C-N 3.31Å; V212-A214 PolarHBondContact O-N 3.38Å; V212-T215 PolarHBondContact O-N 3.21Å; V212-F216 PolarHBondContact O-N 3.46Å; V212-L277 HydrophobicContact CG2-CD2 3.82Å; V212-M544 HydrophobicContact CG1-CE 3.98Å; V212-F552 HydrophobicContact CB-CZ 4.5Å; V212-F552 HydrophobicContact CG1-CE2 3.9Å; V212-F552 HydrophobicContact CG1-CZ 4.29Å |
| 213 | A | 90.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L209 D210 T215 F216 L217 F552 I568 | L209-A213 HydrophobicContact CB-CB 4.05Å; L209-A213 HydrophobicContact CD2-CB 4.15Å; D210-A213 PolarHBondContact O-N 2.94Å; D210-A213 VanDerWaalsContact OD1-CB 3.28Å; D210-A213 WeakPolarHBondContact OD1-CB 3.48Å; D210-A213 PolarHBondContact OD1-N 2.74Å; A213-T215 PolarHBondContact O-N 3.09Å; A213-F216 WeakPolarHBondContact O-CB 3.45Å; A213-F216 PolarHBondContact O-N 3.3Å; A213-L217 PolarHBondContact O-N 3.24Å; A213-L217 VanDerWaalsContact O-N 3.15Å; A213-F552 HydrophobicContact CB-CD1 4.24Å; A213-F552 HydrophobicContact CB-CE1 3.71Å; A213-F552 HydrophobicContact CB-CZ 4Å; A213-I568 HydrophobicContact CB-CD1 4.02Å |
| 214 | A | 89.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I204 D210 V212 L217 L218 | I204-A214 HydrophobicContact CG1-CB 3.79Å; I204-A214 WeakPolarHBondContact O-CB 3.31Å; D210-A214 VanDerWaalsContact O-CB 3.26Å; D210-A214 WeakPolarHBondContact O-CB 3.36Å; D210-A214 PolarHBondContact O-N 3.22Å; V212-A214 VanDerWaalsContact C-N 3.31Å; V212-A214 PolarHBondContact O-N 3.38Å; A214-L217 PolarHBondContact O-N 3.1Å; A214-L218 WeakPolarHBondContact O-CG 3.08Å; A214-L218 PolarHBondContact O-N 3.4Å; A214-L218 VanDerWaalsContact O-N 3.11Å |
| 215 | T | 87.1 | Confident | 84.3 | Confident | 68 Ų | 68 | 31.7 Ų | 31.7 | 42% | 0.417 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | S211 V212 A213 L217 L218 E219 | S211-T215 WeakPolarHBondContact O-CB 3.13Å; S211-T215 PolarHBondContact O-N 2.88Å; S211-T215 PolarHBondContact O-OG1 3.34Å; V212-T215 PolarHBondContact O-N 3.21Å; A213-T215 PolarHBondContact O-N 3.09Å; T215-L217 VanDerWaalsContact C-N 3.32Å; T215-L217 PolarHBondContact O-N 3.17Å; T215-L218 PolarHBondContact O-N 3.5Å; T215-E219 HydrophobicContact CG2-CG 4.34Å; T215-E219 WeakPolarHBondContact O-CG 3.49Å; T215-E219 PolarHBondContact O-N 2.88Å |
| 216 | F | 88.1 | Confident | 82.7 | Confident | 11 Ų | 11 | 38 Ų | 38 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.4 | -46.9 | 174.9 | 170.2 | -91.8 | 0 | 0 | 0 | 112 | V212 A213 L218 E219 A220 F520 V546 E551 F552 I568 | V212-F216 PolarHBondContact O-N 3.46Å; A213-F216 WeakPolarHBondContact O-CB 3.45Å; A213-F216 PolarHBondContact O-N 3.3Å; F216-L218 PolarHBondContact O-N 3.08Å; F216-E219 PolarHBondContact O-N 2.79Å; F216-A220 VanDerWaalsContact O-CB 3.28Å; F216-A220 WeakPolarHBondContact O-CB 3.42Å; F216-A220 PolarHBondContact O-N 2.77Å; F216-F520 HydrophobicContact CE1-CE1 4.4Å; F216-F520 HydrophobicContact CZ-CE1 4.48Å; F216-V546 HydrophobicContact CD2-CG1 3.85Å; F216-V546 HydrophobicContact CE2-CG1 4.09Å; F216-E551 WeakPolarHBondContact CE2-O 3.41Å; F216-F552 HydrophobicContact CB-CD2 4.07Å; F216-F552 HydrophobicContact CB-CG 4.49Å; F216-F552 HydrophobicContact CD1-CB 3.76Å; F216-F552 HydrophobicContact CD1-CG 4.45Å; F216-F552 HydrophobicContact CD2-CB 3.97Å; F216-F552 HydrophobicContact CD2-CD2 4.33Å; F216-F552 HydrophobicContact CE1-CB 3.87Å; F216-F552 HydrophobicContact CE2-CB 4.04Å; F216-F552 HydrophobicContact CG-CB 3.82Å; F216-F552 HydrophobicContact CG-CD2 4.15Å; F216-F552 HydrophobicContact CG-CG 4.27Å; F216-F552 HydrophobicContact CZ-CB 4.01Å; F216-I568 HydrophobicContact CD1-CD1 4.25Å; F216-I568 HydrophobicContact CD1-CG2 4.17Å; F216-I568 HydrophobicContact CE1-CB 4.29Å; F216-I568 HydrophobicContact CE1-CG2 3.7Å |
| 217 | L | 87.4 | Confident | 81.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 179.1 | -70.7 | 179.2 | 0 | 0 | 0 | 112.8 | L209 A213 A214 T215 A220 R221 F517 F518 F520 I522 I568 | L209-L217 HydrophobicContact CD1-CD1 3.22Å; L209-L217 HydrophobicContact CD1-CG 4.37Å; A213-L217 PolarHBondContact O-N 3.24Å; A213-L217 VanDerWaalsContact O-N 3.15Å; A214-L217 PolarHBondContact O-N 3.1Å; T215-L217 VanDerWaalsContact C-N 3.32Å; T215-L217 PolarHBondContact O-N 3.17Å; L217-A220 PolarHBondContact O-N 2.95Å; L217-R221 WeakPolarHBondContact O-CB 3.3Å; L217-R221 PolarHBondContact O-N 3.16Å; L217-F517 HydrophobicContact CD1-CB 4.2Å; L217-F518 HydrophobicContact CB-CD2 3.93Å; L217-F518 HydrophobicContact CB-CE2 4.46Å; L217-F518 HydrophobicContact CD1-CD2 4Å; L217-F518 HydrophobicContact CG-CD2 4.43Å; L217-F520 HydrophobicContact CD2-CB 4.05Å; L217-F520 HydrophobicContact CD2-CD2 3.72Å; L217-F520 HydrophobicContact CD2-CG 4.01Å; L217-I522 HydrophobicContact CD1-CD1 3.91Å; L217-I568 HydrophobicContact CD2-CD1 4.41Å; L217-I568 HydrophobicContact CD2-CG2 3.77Å; L217-I568 HydrophobicContact CG-CD1 4.32Å |
| 218 | L | 85.3 | Confident | 79.3 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.6 | -73.1 | 176.1 | 0 | 0 | 0 | 111.5 | I204 A214 T215 F216 R221 E222 | I204-L218 HydrophobicContact CD1-CD1 4.14Å; I204-L218 HydrophobicContact CD1-CD2 3.75Å; I204-L218 HydrophobicContact CD1-CG 3.77Å; I204-L218 HydrophobicContact CG1-CD1 4.35Å; I204-L218 HydrophobicContact CG1-CG 4.46Å; A214-L218 WeakPolarHBondContact O-CG 3.08Å; A214-L218 PolarHBondContact O-N 3.4Å; A214-L218 VanDerWaalsContact O-N 3.11Å; T215-L218 PolarHBondContact O-N 3.5Å; F216-L218 PolarHBondContact O-N 3.08Å; L218-R221 PolarHBondContact O-N 2.98Å; L218-E222 WeakPolarHBondContact O-CG 3.17Å; L218-E222 PolarHBondContact O-N 3.4Å; L218-E222 VanDerWaalsContact O-N 3.08Å |
| 219 | E | 82.6 | Confident | 77 | Confident | 97 Ų | 97 | 52.4 Ų | 52.4 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.7 | -71.6 | -176.2 | -178 | 0 | 0 | 111.9 | T215 F216 R221 E222 M223 | T215-E219 HydrophobicContact CG2-CG 4.34Å; T215-E219 WeakPolarHBondContact O-CG 3.49Å; T215-E219 PolarHBondContact O-N 2.88Å; F216-E219 PolarHBondContact O-N 2.79Å; E219-R221 VanDerWaalsContact C-N 3.28Å; E219-R221 PolarHBondContact O-N 2.79Å; E219-E222 PolarHBondContact O-N 3.47Å; E219-E222 VanDerWaalsContact O-N 3.14Å; E219-M223 WeakPolarHBondContact O-CG 3.34Å; E219-M223 PolarHBondContact O-N 3.25Å |
| 220 | A | 81.9 | Confident | 74.8 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F216 L217 M223 S224 F520 | F216-A220 VanDerWaalsContact O-CB 3.28Å; F216-A220 WeakPolarHBondContact O-CB 3.42Å; F216-A220 PolarHBondContact O-N 2.77Å; L217-A220 PolarHBondContact O-N 2.95Å; A220-M223 HydrophobicContact CB-CE 4.47Å; A220-M223 PolarHBondContact O-N 3.44Å; A220-S224 PolarHBondContact O-N 3.11Å; A220-F520 HydrophobicContact CB-CE2 3.52Å; A220-F520 HydrophobicContact CB-CZ 3.62Å |
| 221 | R | 78.4 | Confident | 72.8 | Confident | 30 Ų | 30 | 61.9 Ų | 61.9 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 174.1 | -170.1 | -156.8 | 180 | 178.7 | 4.7 | 112.7 | L217 L218 E219 M223 S224 K225 F518 | L217-R221 WeakPolarHBondContact O-CB 3.3Å; L217-R221 PolarHBondContact O-N 3.16Å; L218-R221 PolarHBondContact O-N 2.98Å; E219-R221 VanDerWaalsContact C-N 3.28Å; E219-R221 PolarHBondContact O-N 2.79Å; R221-M223 VanDerWaalsContact C-N 3.3Å; R221-S224 PolarHBondContact O-OG 3.3Å; R221-K225 VanDerWaalsContact O-CG 3.28Å; R221-K225 WeakPolarHBondContact O-CG 3.47Å; R221-K225 PolarHBondContact O-N 2.76Å; R221-F518 HydrophobicContact CB-CD1 4.25Å; R221-F518 HydrophobicContact CG-CD1 4.04Å |
| 222 | E | 77.3 | Confident | 70.7 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.3 | -30.2 | 177.3 | -67.6 | -52.4 | 126.1 | 0 | 0 | 112.3 | L218 E219 K225 Q226 | L218-E222 WeakPolarHBondContact O-CG 3.17Å; L218-E222 PolarHBondContact O-N 3.4Å; L218-E222 VanDerWaalsContact O-N 3.08Å; E219-E222 PolarHBondContact O-N 3.47Å; E219-E222 VanDerWaalsContact O-N 3.14Å; E222-K225 IonicContact OE1-NZ 3.66Å; E222-K225 PolarHBondContact OE1-NZ 3.05Å; E222-K225 IonicContact OE2-NZ 3.89Å; E222-Q226 PolarHBondContact O-N 2.89Å |
| 223 | M | 75.1 | Confident | 68.5 | Low | 41 Ų | 41 | 73.8 Ų | 73.8 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 175 | -71.3 | -176 | -68.8 | 0 | 0 | 112.8 | E219 A220 R221 K225 Q226 N227 R548 G549 | E219-M223 WeakPolarHBondContact O-CG 3.34Å; E219-M223 PolarHBondContact O-N 3.25Å; A220-M223 HydrophobicContact CB-CE 4.47Å; A220-M223 PolarHBondContact O-N 3.44Å; R221-M223 VanDerWaalsContact C-N 3.3Å; M223-K225 VanDerWaalsContact C-N 3.25Å; M223-K225 PolarHBondContact O-N 2.92Å; M223-Q226 PolarHBondContact O-N 2.76Å; M223-N227 PolarHBondContact O-N 3.38Å; M223-N227 VanDerWaalsContact O-N 3.08Å; M223-R548 HydrophobicContact CE-CG 3.78Å; M223-R548 HydrophobicContact SD-CG 3.95Å; M223-G549 VanDerWaalsContact CE-CA 3.4Å |
| 224 | S | 70.4 | Confident | 65.9 | Low | 61 Ų | 61 | 77.9 Ų | 77.9 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 176.9 | 64.6 | 0 | 0 | 0 | 0 | 111.8 | A220 R221 Q226 N227 D228 | A220-S224 PolarHBondContact O-N 3.11Å; R221-S224 PolarHBondContact O-OG 3.3Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 3.01Å; S224-N227 PolarHBondContact O-N 2.83Å; S224-D228 PolarHBondContact O-N 2.84Å |
| 225 | K | 65.1 | Low | 63.1 | Low | 45 Ų | 45 | 87.6 Ų | 87.6 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 173.7 | -70.2 | 172.4 | -173.7 | 178.1 | 0 | 113.8 | R221 E222 M223 G319 | R221-K225 VanDerWaalsContact O-CG 3.28Å; R221-K225 WeakPolarHBondContact O-CG 3.47Å; R221-K225 PolarHBondContact O-N 2.76Å; E222-K225 IonicContact OE1-NZ 3.66Å; E222-K225 PolarHBondContact OE1-NZ 3.05Å; E222-K225 IonicContact OE2-NZ 3.89Å; M223-K225 VanDerWaalsContact C-N 3.25Å; M223-K225 PolarHBondContact O-N 2.92Å; K225-G319 PolarHBondContact NZ-O 3.42Å |
| 226 | Q | 59.5 | Low | 60.5 | Low | 132 Ų | 132 | 91.4 Ų | 91.4 | 62% | 0.617 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.3 | -39.8 | 177.1 | -73.8 | 176.7 | 9.5 | 0 | 0 | 111.2 | E222 M223 S224 Y229 V230 | E222-Q226 PolarHBondContact O-N 2.89Å; M223-Q226 PolarHBondContact O-N 2.76Å; S224-Q226 VanDerWaalsContact C-N 3.35Å; S224-Q226 PolarHBondContact O-N 3.01Å; Q226-Y229 WeakPolarHBondContact O-CB 3.31Å; Q226-Y229 PolarHBondContact O-N 2.98Å; Q226-V230 WeakPolarHBondContact O-CG2 3.43Å; Q226-V230 PolarHBondContact O-N 3.1Å |
| 227 | N | 56.8 | Low | 57.7 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.3 | -42.8 | 178.7 | -71.8 | -13.1 | 0 | 0 | 0 | 112.4 | M223 S224 Y229 V230 E231 | M223-N227 PolarHBondContact O-N 3.38Å; M223-N227 VanDerWaalsContact O-N 3.08Å; S224-N227 PolarHBondContact O-N 2.83Å; N227-Y229 PolarHBondContact O-N 3.37Å; N227-Y229 VanDerWaalsContact O-N 3.17Å; N227-V230 PolarHBondContact O-N 3.14Å; N227-E231 PolarHBondContact O-N 3.41Å |
| 228 | D | 54.2 | Low | 55.2 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.9 | -31.2 | 174.7 | -84.5 | -17.6 | 0 | 0 | 0 | 112.7 | S224 K232 | S224-D228 PolarHBondContact O-N 2.84Å; D228-K232 WeakPolarHBondContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.02Å; D228-K232 PolarHBondContact O-N 3.39Å |
| 229 | Y | 44 | Very low | 52.5 | Low | 152 Ų | 152 | 108 Ų | 108 | 60% | 0.596 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -75.2 | -33.1 | 176.7 | -146.8 | -93 | 0 | 0 | 0 | 112.4 | Q226 N227 | Q226-Y229 WeakPolarHBondContact O-CB 3.31Å; Q226-Y229 PolarHBondContact O-N 2.98Å; N227-Y229 PolarHBondContact O-N 3.37Å; N227-Y229 VanDerWaalsContact O-N 3.17Å |
| 230 | V | 44.6 | Very low | 50 | Low | 85 Ų | 85 | 109.7 Ų | 109.7 | 52% | 0.515 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -82.9 | -41.4 | 180 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | Q226 N227 K232 K233 T234 | Q226-V230 WeakPolarHBondContact O-CG2 3.43Å; Q226-V230 PolarHBondContact O-N 3.1Å; N227-V230 PolarHBondContact O-N 3.14Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 2.62Å; V230-K233 CarbonylContact O-C 3.59Å; V230-K233 WeakPolarHBondContact O-CA 3.4Å; V230-K233 PolarHBondContact O-N 3.26Å; V230-T234 PolarHBondContact O-N 2.76Å; V230-T234 PolarHBondContact O-OG1 3.23Å |
| 231 | E | 42.4 | Very low | 47.7 | Very low | 133 Ų | 133 | 114.6 Ų | 114.6 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.5 | -36.5 | 176.2 | -78.4 | -165.2 | 164.6 | 0 | 0 | 111.8 | N227 K233 T234 | N227-E231 PolarHBondContact O-N 3.41Å; E231-K233 PolarHBondContact O-N 3.15Å; E231-K233 VanDerWaalsContact O-N 3.1Å; E231-T234 PolarHBondContact O-N 2.86Å; E231-T234 VanDerWaalsContact O-N 3.14Å |
| 232 | K | 40.8 | Very low | 45.7 | Very low | 179 Ų | 179 | 116.1 Ų | 116.1 | 78% | 0.778 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -16.9 | 170.4 | -82.2 | 178.2 | -179.8 | 166.6 | 0 | 113.3 | D228 V230 | D228-K232 WeakPolarHBondContact O-CB 3.3Å; D228-K232 WeakPolarHBondContact O-CG 3.02Å; D228-K232 PolarHBondContact O-N 3.39Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 2.62Å |
| 233 | K | 38.2 | Very low | 44.1 | Very low | 171 Ų | 171 | 119.8 Ų | 119.8 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -17.7 | 173 | -83.9 | -173.8 | 174 | 179.8 | 0 | 114.8 | V230 E231 | V230-K233 CarbonylContact O-C 3.59Å; V230-K233 WeakPolarHBondContact O-CA 3.4Å; V230-K233 PolarHBondContact O-N 3.26Å; E231-K233 PolarHBondContact O-N 3.15Å; E231-K233 VanDerWaalsContact O-N 3.1Å |
| 234 | T | 35.2 | Very low | 42.7 | Very low | 85 Ų | 85 | 126.5 Ų | 126.5 | 52% | 0.521 | 67% | 0.672 | S | S | . | * | trans | -140.3 | 80.7 | -165 | -16.8 | 0 | 0 | 0 | 0 | 111 | V230 E231 I236 | V230-T234 PolarHBondContact O-N 2.76Å; V230-T234 PolarHBondContact O-OG1 3.23Å; E231-T234 PolarHBondContact O-N 2.86Å; E231-T234 VanDerWaalsContact O-N 3.14Å; T234-I236 PolarHBondContact O-N 3.16Å; T234-I236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | K | 31 | Very low | 41.8 | Very low | 206 Ų | 206 | 126.7 Ų | 126.7 | 90% | 0.896 | 67% | 0.668 | S | S | * | * | trans | -78 | 80.1 | 168.4 | -74.3 | -174.4 | 175.3 | -176.1 | 0 | 110.4 | ||||
| 236 | I | 32.3 | Very low | 41.4 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | trans | -140.9 | 126.6 | 160.6 | -59.5 | -177.2 | 0 | 0 | 0 | 108.6 | T234 | T234-I236 PolarHBondContact O-N 3.16Å; T234-I236 VanDerWaalsContact O-N 3.11Å | ||
| 237 | S | 30.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | -27.4 | 135.7 | 175.6 | 51.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 238 | S | 33.1 | Very low | 42 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | -127.2 | 132.3 | 153.7 | 50.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 239 | E | 28.6 | Very low | 43.1 | Very low | 180 Ų | 180 | 124.8 Ų | 124.8 | 84% | 0.841 | 66% | 0.66 | S | S | * | * | trans | -85.1 | 153.2 | 176.6 | -73.8 | -177.9 | 160.6 | 0 | 0 | 110.7 | S241 | E239-S241 PolarHBondContact O-N 3.47Š| ||
| 240 | P | 31.5 | Very low | 44.7 | Very low | 131 Ų | 131 | 122 Ų | 122 | 85% | 0.851 | 65% | 0.653 | S | S | * | * | trans | -75.8 | 115 | 178.8 | 22.4 | -15.8 | 0 | 0 | 0 | 110.6 | ||||
| 241 | S | 33.2 | Very low | 46.4 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 65% | 0.648 | S | S | * | * | trans | -76.6 | 130.4 | 172.2 | 57.3 | 0 | 0 | 0 | 0 | 110.5 | E239 | E239-S241 PolarHBondContact O-N 3.47Š| ||
| 242 | G | 35.4 | Very low | 48.3 | Very low | 62 Ų | 62 | 121.5 Ų | 121.5 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | trans | -70.2 | -177.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | K244 | G242-K244 PolarHBondContact O-N 3.07Š| ||
| 243 | D | 44.1 | Very low | 50.5 | Low | 168 Ų | 168 | 117.2 Ų | 117.2 | 90% | 0.898 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -60.2 | 50.2 | -166.1 | -53.8 | -33.4 | 0 | 0 | 0 | 116.6 | ||
| 244 | K | 46.7 | Very low | 52.7 | Low | 183 Ų | 183 | 110 Ų | 110 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -103.5 | 141.9 | 161.4 | -75.5 | -170.9 | 175.5 | -173.9 | 0 | 109.3 | G242 P246 | G242-K244 PolarHBondContact O-N 3.07Å; K244-P246 VanDerWaalsContact O-CD 3.29Å; K244-P246 WeakPolarHBondContact O-CD 3.48Å; K244-P246 VanDerWaalsContact O-N 3.11Å |
| 245 | I | 51 | Low | 55.1 | Low | 64 Ų | 64 | 107.5 Ų | 107.5 | 33% | 0.328 | 57% | 0.57 | S | S | . | * | trans | -45.4 | 119.1 | 170.4 | -49.3 | -170 | 0 | 0 | 0 | 109.1 | E247 T249 P597 D598 | I245-E247 PolarHBondContact O-N 3.39Å; I245-T249 VanDerWaalsContact CG2-CB 3.43Å; I245-T249 HydrophobicContact CG2-CG2 3.93Å; I245-P597 HydrophobicContact CD1-CG 3.64Å; I245-P597 HydrophobicContact CG1-CG 3.64Å; I245-P597 HydrophobicContact CG2-CG 4.48Å; I245-D598 WeakPolarHBondContact CD1-OD2 3.36Å; I245-D598 WeakPolarHBondContact CG1-OD1 3.48Å | ||
| 246 | P | 56.9 | Low | 57.6 | Low | 38 Ų | 38 | 98.7 Ų | 98.7 | 25% | 0.247 | 53% | 0.531 | C | S | . | . | trans | -53.5 | 135.9 | 169.3 | -29 | 39 | 0 | 0 | 0 | 110.2 | K244 D248 T249 T547 | K244-P246 VanDerWaalsContact O-CD 3.29Å; K244-P246 WeakPolarHBondContact O-CD 3.48Å; K244-P246 VanDerWaalsContact O-N 3.11Å; P246-D248 WeakPolarHBondContact CB-OD1 3.45Å; P246-D248 PolarHBondContact O-N 3.26Å; P246-T249 PolarHBondContact O-N 3.43Å; P246-T249 PolarHBondContact O-OG1 2.92Å; P246-T547 HydrophobicContact CB-CG2 4.02Å; P246-T547 HydrophobicContact CG-CG2 3.95Å | ||
| 247 | E | 58 | Low | 59.8 | Low | 211 Ų | 211 | 95 Ų | 95 | 99% | 0.986 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -13 | -177.8 | -71.6 | -175 | 165.6 | 0 | 0 | 113.6 | I245 | I245-E247 PolarHBondContact O-N 3.39Š|
| 248 | D | 71.2 | Confident | 62.1 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -0.8 | 178.1 | 66.3 | -28.8 | 0 | 0 | 0 | 115 | P246 R548 | P246-D248 WeakPolarHBondContact CB-OD1 3.45Å; P246-D248 PolarHBondContact O-N 3.26Å; D248-R548 HydrophobicContact CB-CB 4.49Å; D248-R548 WeakPolarHBondContact OD2-CB 3.36Å |
| 249 | T | 77.1 | Confident | 63.7 | Low | 24 Ų | 24 | 89 Ų | 89 | 15% | 0.147 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 130.9 | 173.4 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | I245 P246 R545 V546 T547 | I245-T249 VanDerWaalsContact CG2-CB 3.43Å; I245-T249 HydrophobicContact CG2-CG2 3.93Å; P246-T249 PolarHBondContact O-N 3.43Å; P246-T249 PolarHBondContact O-OG1 2.92Å; T249-R545 HydrophobicContact CG2-CG 3.89Å; T249-V546 CarbonylContact C-O 3.47Å; T249-V546 WeakPolarHBondContact CA-O 3.49Å; T249-T547 WeakPolarHBondContact CG2-OG1 3.29Å; T249-T547 WeakPolarHBondContact OG1-CG2 3.38Å; T249-T547 PolarHBondContact OG1-OG1 2.66Å |
| 250 | Q | 77.7 | Confident | 65.3 | Low | 94 Ų | 94 | 89.5 Ų | 89.5 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123 | -179.3 | -61.9 | 178.9 | 18.7 | 0 | 0 | 110.7 | R252 R545 V546 | Q250-R252 VanDerWaalsContact OE1-CZ 3.25Å; Q250-R545 WeakPolarHBondContact O-CA 3.17Å; Q250-V546 PolarHBondContact N-O 3.17Å; Q250-V546 PolarHBondContact O-N 3.24Å |
| 251 | I | 80.8 | Confident | 66.1 | Low | 80 Ų | 80 | 89.8 Ų | 89.8 | 41% | 0.41 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 128.7 | 172.3 | -58.4 | 172.9 | 0 | 0 | 0 | 108.4 | M544 R545 L595 D596 | I251-M544 CarbonylContact C-O 3.48Å; I251-M544 VanDerWaalsContact CA-O 3.25Å; I251-M544 WeakPolarHBondContact CA-O 3.31Å; I251-R545 HydrophobicContact CG1-CB 4.24Å; I251-R545 HydrophobicContact CG1-CG 4.14Å; I251-L595 WeakPolarHBondContact CD1-O 3.35Å; I251-L595 HydrophobicContact CG2-CB 4.48Å; I251-D596 HydrophobicContact CD1-CB 4.44Å |
| 252 | R | 82.3 | Confident | 66.6 | Low | 128 Ų | 128 | 87.3 Ų | 87.3 | 48% | 0.483 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 142.1 | -175.3 | -61.2 | -176.9 | -179.1 | -165.8 | -2 | 111.7 | Q250 M254 M544 | Q250-R252 VanDerWaalsContact OE1-CZ 3.25Å; R252-M254 HydrophobicContact CB-CG 4.14Å; R252-M254 HydrophobicContact CB-SD 3.94Å; R252-M544 PolarHBondContact N-O 3.42Å; R252-M544 PolarHBondContact O-N 2.85Å |
| 253 | R | 85.2 | Confident | 66.5 | Low | 89 Ų | 89 | 94 Ų | 94 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 123.5 | 164.5 | -170.8 | -173.7 | 178 | 129.7 | 11.6 | 109.2 | D280 Y541 L542 L543 E591 | R253-D280 HydrophobicContact CB-CB 4.5Å; R253-D280 HydrophobicContact CG-CB 3.87Å; R253-D280 IonicContact CZ-OD2 3.9Å; R253-D280 IonicContact NE-OD2 3.05Å; R253-D280 PolarHBondContact NE-OD2 3.2Å; R253-D280 IonicContact NH2-OD2 3.91Å; R253-D280 PolarHBondContact O-N 3.43Å; R253-D280 VanDerWaalsContact O-N 3.08Å; R253-Y541 HydrophobicContact CG-CD2 4.26Å; R253-Y541 VanDerWaalsContact NH2-CE2 3.34Å; R253-L542 WeakPolarHBondContact CA-O 3.39Å; R253-L543 HydrophobicContact CB-CD2 4.39Å; R253-L543 HydrophobicContact CG-CD2 4.14Å; R253-E591 IonicContact CZ-OE2 2.67Å; R253-E591 IonicContact NH1-OE2 3.34Å; R253-E591 PolarHBondContact NH1-OE2 3.28Å; R253-E591 IonicContact NH2-OE2 2.82Å |
| 254 | M | 85.7 | Confident | 66.1 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.089 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 163.1 | -174.5 | -51.5 | -69.5 | -72.3 | 0 | 0 | 110.8 | R252 L277 V278 P279 Y541 L542 M544 | R252-M254 HydrophobicContact CB-CG 4.14Å; R252-M254 HydrophobicContact CB-SD 3.94Å; M254-L277 HydrophobicContact CB-CD1 3.69Å; M254-L277 HydrophobicContact CB-CD2 4.13Å; M254-L277 HydrophobicContact CB-CG 3.88Å; M254-L277 HydrophobicContact CE-CD2 3.98Å; M254-L277 HydrophobicContact CE-CG 3.83Å; M254-L277 HydrophobicContact CG-CD2 4.23Å; M254-L277 HydrophobicContact CG-CG 4.39Å; M254-V278 CarbonylContact C-O 3.55Å; M254-V278 VanDerWaalsContact CA-O 3.28Å; M254-V278 WeakPolarHBondContact CA-O 3.42Å; M254-P279 HydrophobicContact CE-CG 4.41Å; M254-P279 HydrophobicContact SD-CB 4.44Å; M254-P279 HydrophobicContact SD-CG 4.39Å; M254-Y541 CarbonylContact O-C 3.59Å; M254-Y541 WeakPolarHBondContact O-CB 3.46Å; M254-L542 HydrophobicContact CB-CB 4.26Å; M254-L542 PolarHBondContact N-O 2.94Å; M254-L542 PolarHBondContact O-N 3.27Å; M254-M544 HydrophobicContact CB-SD 4.45Å; M254-M544 HydrophobicContact CG-SD 3.86Å |
| 255 | R | 85.3 | Confident | 65.5 | Low | 34 Ų | 34 | 90 Ų | 90 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 149.6 | 169.5 | -176.2 | 178.1 | -71.7 | 113.8 | 16 | 110 | V278 D280 P538 T540 | R255-V278 PolarHBondContact N-O 2.96Å; R255-V278 WeakPolarHBondContact O-CG2 3.42Å; R255-V278 PolarHBondContact O-N 3.04Å; R255-D280 HydrophobicContact CB-CB 4.45Å; R255-D280 IonicContact CZ-OD1 2.71Å; R255-D280 VanDerWaalsContact CZ-OD1 3.22Å; R255-D280 IonicContact CZ-OD2 3.51Å; R255-D280 IonicContact NH1-OD1 3.48Å; R255-D280 PolarHBondContact NH1-OD1 2.92Å; R255-D280 IonicContact NH1-OD2 3.34Å; R255-D280 IonicContact NH2-OD1 3.87Å; R255-D280 PolarHBondContact NH2-OD1 3.48Å; R255-D280 IonicContact NH2-OD2 2.81Å; R255-D280 PolarHBondContact NH2-OD2 2.82Å; R255-P538 PolarHBondContact NH2-O 2.82Å; R255-T540 WeakPolarHBondContact CD-O 3.47Å; R255-T540 WeakPolarHBondContact CG-O 3.49Å; R255-T540 PolarHBondContact NE-O 2.86Å |
| 256 | Y | 82.7 | Confident | 64.7 | Low | 20 Ų | 20 | 94.4 Ų | 94.4 | 8% | 0.078 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133.8 | 170.1 | -74.6 | -68.9 | 0 | 0 | 0 | 110.9 | D210 L275 M276 L277 L535 L542 | D210-Y256 PolarHBondContact OD2-OH 2.89Å; Y256-L275 HydrophobicContact CD1-CB 3.81Å; Y256-L275 HydrophobicContact CE1-CB 4.49Å; Y256-L275 HydrophobicContact CG-CB 4.3Å; Y256-L275 HydrophobicContact CG-CD1 4.41Å; Y256-M276 CarbonylContact C-O 3.5Å; Y256-M276 WeakPolarHBondContact CA-O 3.46Å; Y256-L277 HydrophobicContact CD1-CB 4.16Å; Y256-L277 HydrophobicContact CD1-CD1 3.88Å; Y256-L277 HydrophobicContact CD2-CD1 4.24Å; Y256-L277 HydrophobicContact CE1-CB 3.94Å; Y256-L277 HydrophobicContact CE1-CD1 3.8Å; Y256-L277 HydrophobicContact CE1-CG 4.42Å; Y256-L277 HydrophobicContact CE2-CD1 4.18Å; Y256-L277 HydrophobicContact CG-CD1 4.1Å; Y256-L535 HydrophobicContact CD2-CB 3.93Å; Y256-L535 HydrophobicContact CD2-CD1 3.92Å; Y256-L535 HydrophobicContact CD2-CD2 4.33Å; Y256-L535 HydrophobicContact CD2-CG 4.29Å; Y256-L535 HydrophobicContact CE2-CD1 3.96Å; Y256-L535 HydrophobicContact CG-CB 4.38Å; Y256-L542 HydrophobicContact CD2-CD1 4.26Å; Y256-L542 HydrophobicContact CE2-CD1 3.66Å; Y256-L542 HydrophobicContact CE2-CD2 4.26Å; Y256-L542 HydrophobicContact CE2-CG 4.32Å |
| 257 | I | 79.8 | Confident | 63.6 | Low | 69 Ų | 69 | 98.3 Ų | 98.3 | 35% | 0.354 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.5 | 172 | 60.5 | 168.2 | 0 | 0 | 0 | 109.9 | L275 M276 V278 | I257-L275 CarbonylContact O-C 3.51Å; I257-L275 WeakPolarHBondContact O-CA 3.3Å; I257-M276 HydrophobicContact CG1-CB 4.11Å; I257-M276 WeakPolarHBondContact CG1-O 3.24Å; I257-M276 PolarHBondContact N-O 2.94Å; I257-M276 PolarHBondContact O-N 3.23Å; I257-V278 HydrophobicContact CD1-CB 4.49Å; I257-V278 HydrophobicContact CD1-CG1 3.64Å; I257-V278 HydrophobicContact CD1-CG2 4.04Å; I257-V278 HydrophobicContact CG1-CG1 3.96Å; I257-V278 HydrophobicContact CG1-CG2 4.03Å; I257-V278 HydrophobicContact CG2-CG2 3.75Å |
| 258 | V | 78 | Confident | 62.4 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 126.7 | 172.4 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | H274 L275 | V258-H274 CarbonylContact C-O 3.53Å; V258-H274 HydrophobicContact CG1-CB 4.15Å; V258-L275 HydrophobicContact CG2-CD2 4.2Å |
| 259 | A | 67.7 | Low | 61 | Low | 22 Ų | 22 | 96.1 Ų | 96.1 | 18% | 0.182 | 50% | 0.498 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 138.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | H274 M276 | A259-H274 WeakPolarHBondContact CB-O 3.44Å; A259-H274 PolarHBondContact N-O 2.81Å; A259-H274 PolarHBondContact O-CD2 3.48Å; A259-M276 HydrophobicContact CB-CE 3.74Å; A259-M276 HydrophobicContact CB-CG 4.24Å; A259-M276 HydrophobicContact CB-SD 4.42Å |
| 260 | E | 60.7 | Low | 59 | Low | 190 Ų | 190 | 99.7 Ų | 99.7 | 89% | 0.888 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 133.5 | 174.3 | -68.9 | -176.5 | 166.9 | 0 | 0 | 110.4 | G262 | E260-G262 PolarHBondContact O-N 2.93Š|
| 261 | D | 48.5 | Very low | 57.3 | Low | 137 Ų | 137 | 97.6 Ų | 97.6 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | trans | -59 | 102 | -179.6 | -84.7 | -44.5 | 0 | 0 | 0 | 112 | Q263 H274 | D261-Q263 PolarHBondContact O-N 3.32Å; D261-H274 IonicContact OD1-NE2 3.6Å | ||
| 262 | G | 44.2 | Very low | 55.6 | Low | 57 Ų | 57 | 98.8 Ų | 98.8 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | trans | -71.7 | 106 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E260 S264 | E260-G262 PolarHBondContact O-N 2.93Å; G262-S264 PolarHBondContact O-N 2.88Å; G262-S264 PolarHBondContact O-OG 2.83Å | ||
| 263 | Q | 33 | Very low | 54.1 | Low | 202 Ų | 202 | 96.3 Ų | 96.3 | 94% | 0.944 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -23 | 80.2 | 173.2 | -63.7 | 178.8 | -5.1 | 0 | 0 | 115.6 | D261 | D261-Q263 PolarHBondContact O-N 3.32Š|
| 264 | S | 35.1 | Very low | 52.8 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -137.4 | 93 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | G262 D266 K269 | G262-S264 PolarHBondContact O-N 2.88Å; G262-S264 PolarHBondContact O-OG 2.83Å; S264-D266 VanDerWaalsContact C-N 3.32Å; S264-D266 PolarHBondContact O-N 2.83Å; S264-K269 PolarHBondContact OG-NZ 3.03Å | ||
| 265 | E | 34.9 | Very low | 52 | Low | 197 Ų | 197 | 95.3 Ų | 95.3 | 92% | 0.921 | 52% | 0.518 | S | S | * | . | trans | -74.5 | -1.3 | -169.4 | -76.5 | -170.2 | 150.6 | 0 | 0 | 116 | ||||
| 266 | D | 34.7 | Very low | 51.3 | Low | 155 Ų | 155 | 98.4 Ų | 98.4 | 83% | 0.829 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -110.7 | 16.5 | -158.9 | -82 | -30.8 | 0 | 0 | 0 | 118.6 | S264 | S264-D266 VanDerWaalsContact C-N 3.32Å; S264-D266 PolarHBondContact O-N 2.83Å |
| 267 | I | 32.7 | Very low | 50.8 | Low | 121 Ų | 121 | 99.5 Ų | 99.5 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | trans | -139.7 | 131.8 | 176 | -51.5 | 176 | 0 | 0 | 0 | 111.2 | K269 | I267-K269 HydrophobicContact CB-CG 4.24Å; I267-K269 HydrophobicContact CG2-CG 4.29Å; I267-K269 WeakPolarHBondContact O-CG 3.28Å; I267-K269 PolarHBondContact O-N 2.8Å; I267-K269 VanDerWaalsContact O-N 3.16Å | ||
| 268 | P | 32.7 | Very low | 50.8 | Low | 135 Ų | 135 | 98.3 Ų | 98.3 | 88% | 0.877 | 54% | 0.538 | S | S | * | . | trans | -73.4 | 105.2 | 172.9 | 29 | -29.8 | 0 | 0 | 0 | 108.9 | ||||
| 269 | K | 41.3 | Very low | 50.8 | Low | 92 Ų | 92 | 98.2 Ų | 98.2 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | trans | -103.9 | 137 | -167.6 | -70 | 165.4 | -169.7 | 174.8 | 0 | 111.8 | S264 I267 | S264-K269 PolarHBondContact OG-NZ 3.03Å; I267-K269 HydrophobicContact CB-CG 4.24Å; I267-K269 HydrophobicContact CG2-CG 4.29Å; I267-K269 WeakPolarHBondContact O-CG 3.28Å; I267-K269 PolarHBondContact O-N 2.8Å; I267-K269 VanDerWaalsContact O-N 3.16Å | ||
| 270 | T | 37.2 | Very low | 51 | Low | 99 Ų | 99 | 98.4 Ų | 98.4 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | trans | -82.3 | 142.7 | 174.4 | 25.7 | 0 | 0 | 0 | 0 | 111.1 | E272 D273 | T270-E272 VanDerWaalsContact C-N 3.32Å; T270-E272 PolarHBondContact O-N 3.13Å; T270-D273 WeakPolarHBondContact O-CB 3.46Å; T270-D273 PolarHBondContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-OD2 2.58Å | ||
| 271 | A | 41.6 | Very low | 51.1 | Low | 50 Ų | 50 | 97.1 Ų | 97.1 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.7 | -170 | 0 | 0 | 0 | 0 | 0 | 115.4 | D273 H274 S290 | A271-D273 PolarHBondContact O-N 2.91Å; A271-H274 PolarHBondContact O-N 2.77Å; A271-S290 WeakPolarHBondContact CB-OG 3.39Å |
| 272 | E | 45.2 | Very low | 51.2 | Low | 105 Ų | 105 | 99.2 Ų | 99.2 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -62.4 | -29.9 | 174.1 | -83.3 | 174.8 | -158.1 | 0 | 0 | 112.5 | T270 H274 L275 S292 | T270-E272 VanDerWaalsContact C-N 3.32Å; T270-E272 PolarHBondContact O-N 3.13Å; E272-H274 PolarHBondContact O-N 3.1Å; E272-L275 PolarHBondContact O-N 3.39Å; E272-L275 VanDerWaalsContact O-N 3.12Å; E272-S292 PolarHBondContact OE1-OG 3.35Å |
| 273 | D | 50.2 | Low | 50.9 | Low | 76 Ų | 76 | 104.2 Ų | 104.2 | 41% | 0.406 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -67.5 | -8.4 | 178.9 | -69.8 | -50.1 | 0 | 0 | 0 | 113 | T270 A271 | T270-D273 WeakPolarHBondContact O-CB 3.46Å; T270-D273 PolarHBondContact O-N 3.17Å; T270-D273 PolarHBondContact OG1-OD2 2.58Å; A271-D273 PolarHBondContact O-N 2.91Å |
| 274 | H | 58.5 | Low | 50.8 | Low | 43 Ų | 43 | 99.5 Ų | 99.5 | 20% | 0.199 | 53% | 0.532 | C | S | . | . | G | 310 helix | trans | -104.9 | -2.3 | 175.6 | -92.4 | 66.7 | 0 | 0 | 0 | 114.3 | V258 A259 D261 A271 E272 M276 | V258-H274 CarbonylContact C-O 3.53Å; V258-H274 HydrophobicContact CG1-CB 4.15Å; A259-H274 WeakPolarHBondContact CB-O 3.44Å; A259-H274 PolarHBondContact N-O 2.81Å; A259-H274 PolarHBondContact O-CD2 3.48Å; D261-H274 IonicContact OD1-NE2 3.6Å; A271-H274 PolarHBondContact O-N 2.77Å; E272-H274 PolarHBondContact O-N 3.1Å; H274-M276 PolarHBondContact O-N 3.21Å |
| 275 | L | 68.6 | Low | 50.6 | Low | 42 Ų | 42 | 105.8 Ų | 105.8 | 22% | 0.22 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.5 | 179.9 | -65.9 | 179.9 | 0 | 0 | 0 | 111.2 | Y256 I257 V258 E272 L535 | Y256-L275 HydrophobicContact CD1-CB 3.81Å; Y256-L275 HydrophobicContact CE1-CB 4.49Å; Y256-L275 HydrophobicContact CG-CB 4.3Å; Y256-L275 HydrophobicContact CG-CD1 4.41Å; I257-L275 CarbonylContact O-C 3.51Å; I257-L275 WeakPolarHBondContact O-CA 3.3Å; V258-L275 HydrophobicContact CG2-CD2 4.2Å; E272-L275 PolarHBondContact O-N 3.39Å; E272-L275 VanDerWaalsContact O-N 3.12Å; L275-L535 HydrophobicContact CD1-CB 3.87Å; L275-L535 HydrophobicContact CD1-CD1 4.08Å |
| 276 | M | 69.3 | Low | 50.2 | Low | 100 Ų | 100 | 105.9 Ų | 105.9 | 49% | 0.493 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 134.5 | 169.8 | -70 | -163.3 | -71.7 | 0 | 0 | 110.2 | Y256 I257 A259 H274 | Y256-M276 CarbonylContact C-O 3.5Å; Y256-M276 WeakPolarHBondContact CA-O 3.46Å; I257-M276 HydrophobicContact CG1-CB 4.11Å; I257-M276 WeakPolarHBondContact CG1-O 3.24Å; I257-M276 PolarHBondContact N-O 2.94Å; I257-M276 PolarHBondContact O-N 3.23Å; A259-M276 HydrophobicContact CB-CE 3.74Å; A259-M276 HydrophobicContact CB-CG 4.24Å; A259-M276 HydrophobicContact CB-SD 4.42Å; H274-M276 PolarHBondContact O-N 3.21Å |
| 277 | L | 73.9 | Confident | 50 | Low | 42 Ų | 42 | 104.8 Ų | 104.8 | 22% | 0.22 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121 | 175.9 | -168.1 | 70.4 | 0 | 0 | 0 | 110.4 | V212 M254 Y256 L542 M544 | V212-L277 HydrophobicContact CG2-CD2 3.82Å; M254-L277 HydrophobicContact CB-CD1 3.69Å; M254-L277 HydrophobicContact CB-CD2 4.13Å; M254-L277 HydrophobicContact CB-CG 3.88Å; M254-L277 HydrophobicContact CE-CD2 3.98Å; M254-L277 HydrophobicContact CE-CG 3.83Å; M254-L277 HydrophobicContact CG-CD2 4.23Å; M254-L277 HydrophobicContact CG-CG 4.39Å; Y256-L277 HydrophobicContact CD1-CB 4.16Å; Y256-L277 HydrophobicContact CD1-CD1 3.88Å; Y256-L277 HydrophobicContact CD2-CD1 4.24Å; Y256-L277 HydrophobicContact CE1-CB 3.94Å; Y256-L277 HydrophobicContact CE1-CD1 3.8Å; Y256-L277 HydrophobicContact CE1-CG 4.42Å; Y256-L277 HydrophobicContact CE2-CD1 4.18Å; Y256-L277 HydrophobicContact CG-CD1 4.1Å; L277-L542 HydrophobicContact CD1-CD1 3.42Å; L277-L542 VanDerWaalsContact CD1-CD1 3.42Å; L277-L542 HydrophobicContact CD1-CG 4.24Å; L277-L542 HydrophobicContact CD2-CD1 4.3Å; L277-M544 HydrophobicContact CD2-SD 3.84Å |
| 278 | V | 78.2 | Confident | 49.8 | Very low | 44 Ų | 44 | 104.9 Ų | 104.9 | 27% | 0.267 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 155.2 | -179.9 | -63.1 | 0 | 0 | 0 | 0 | 111.4 | M254 R255 I257 D280 | M254-V278 CarbonylContact C-O 3.55Å; M254-V278 VanDerWaalsContact CA-O 3.28Å; M254-V278 WeakPolarHBondContact CA-O 3.42Å; R255-V278 PolarHBondContact N-O 2.96Å; R255-V278 WeakPolarHBondContact O-CG2 3.42Å; R255-V278 PolarHBondContact O-N 3.04Å; I257-V278 HydrophobicContact CD1-CB 4.49Å; I257-V278 HydrophobicContact CD1-CG1 3.64Å; I257-V278 HydrophobicContact CD1-CG2 4.04Å; I257-V278 HydrophobicContact CG1-CG1 3.96Å; I257-V278 HydrophobicContact CG1-CG2 4.03Å; I257-V278 HydrophobicContact CG2-CG2 3.75Å; V278-D280 PolarHBondContact O-N 3.42Å |
| 279 | P | 78.9 | Confident | 49.6 | Very low | 82 Ų | 82 | 105.4 Ų | 105.4 | 53% | 0.532 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 135.1 | 169.9 | -23.6 | 34.5 | 0 | 0 | 0 | 111 | M254 Q281 | M254-P279 HydrophobicContact CE-CG 4.41Å; M254-P279 HydrophobicContact SD-CB 4.44Å; M254-P279 HydrophobicContact SD-CG 4.39Å; P279-Q281 PolarHBondContact O-N 3.48Å; P279-Q281 VanDerWaalsContact O-N 3.07Å |
| 280 | D | 71.4 | Confident | 48.9 | Very low | 26 Ų | 26 | 105 Ų | 105 | 14% | 0.139 | 54% | 0.541 | C | S | . | . | trans | -74.9 | 99.7 | 178.7 | -173 | 11.7 | 0 | 0 | 0 | 110.1 | R253 R255 V278 | R253-D280 HydrophobicContact CB-CB 4.5Å; R253-D280 HydrophobicContact CG-CB 3.87Å; R253-D280 IonicContact CZ-OD2 3.9Å; R253-D280 IonicContact NE-OD2 3.05Å; R253-D280 PolarHBondContact NE-OD2 3.2Å; R253-D280 IonicContact NH2-OD2 3.91Å; R253-D280 PolarHBondContact O-N 3.43Å; R253-D280 VanDerWaalsContact O-N 3.08Å; R255-D280 HydrophobicContact CB-CB 4.45Å; R255-D280 IonicContact CZ-OD1 2.71Å; R255-D280 VanDerWaalsContact CZ-OD1 3.22Å; R255-D280 IonicContact CZ-OD2 3.51Å; R255-D280 IonicContact NH1-OD1 3.48Å; R255-D280 PolarHBondContact NH1-OD1 2.92Å; R255-D280 IonicContact NH1-OD2 3.34Å; R255-D280 IonicContact NH2-OD1 3.87Å; R255-D280 PolarHBondContact NH2-OD1 3.48Å; R255-D280 IonicContact NH2-OD2 2.81Å; R255-D280 PolarHBondContact NH2-OD2 2.82Å; V278-D280 PolarHBondContact O-N 3.42Å | ||
| 281 | Q | 63 | Low | 48.4 | Very low | 163 Ų | 163 | 110.4 Ų | 110.4 | 76% | 0.762 | 56% | 0.556 | S | S | * | * | trans | -96.3 | 119.6 | 167.2 | -60.8 | -177.6 | 8.3 | 0 | 0 | 107.1 | P279 Q283 | P279-Q281 PolarHBondContact O-N 3.48Å; P279-Q281 VanDerWaalsContact O-N 3.07Å; Q281-Q283 PolarHBondContact O-N 3.31Å | ||
| 282 | Q | 51.1 | Low | 47.7 | Very low | 181 Ų | 181 | 111.2 Ų | 111.2 | 85% | 0.846 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -53 | 92.4 | -175.2 | -69.3 | -179.2 | -11.8 | 0 | 0 | 112.3 | ||
| 283 | Q | 37.6 | Very low | 46.8 | Very low | 162 Ų | 162 | 111.5 Ų | 111.5 | 76% | 0.757 | 57% | 0.573 | S | S | * | * | trans | -162.9 | 138.4 | 165.6 | -110.6 | 166 | 52.5 | 0 | 0 | 111.1 | Q281 | Q281-Q283 PolarHBondContact O-N 3.31Š| ||
| 284 | P | 30.9 | Very low | 45.6 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 67% | 0.669 | 58% | 0.58 | S | S | * | * | trans | -95.5 | 141.1 | -170.5 | 29.2 | -19.3 | 0 | 0 | 0 | 113.6 | ||||
| 285 | Y | 31.2 | Very low | 44 | Very low | 204 Ų | 204 | 113.9 Ų | 113.9 | 80% | 0.8 | 60% | 0.601 | S | S | * | * | trans | -132 | 154.4 | 167.1 | -94.3 | -93 | 0 | 0 | 0 | 111 | ||||
| 286 | K | 25.1 | Very low | 42.1 | Very low | 198 Ų | 198 | 112.4 Ų | 112.4 | 86% | 0.861 | 60% | 0.596 | S | S | * | * | trans | -106.7 | 145.5 | -179.8 | -83.5 | 177.8 | 166.8 | -179.1 | 0 | 110 | ||||
| 287 | L | 30.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 108 Ų | 108 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | 160.8 | 142.6 | 120.3 | -157.8 | 73.4 | 0 | 0 | 0 | 114.4 | |||||
| 288 | D | 29.2 | Very low | 38.2 | Very low | 124 Ų | 124 | 106 Ų | 106 | 66% | 0.663 | 57% | 0.565 | S | S | * | * | trans | 0.3 | 121.7 | 167.5 | -61.3 | -30.2 | 0 | 0 | 0 | 127.9 | ||||
| 289 | I | 28 | Very low | 36.4 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | 46.2 | 115.8 | 120.4 | -48.7 | 168.4 | 0 | 0 | 0 | 121.4 | |||||
| 290 | S | 26.6 | Very low | 34.9 | Very low | 83 Ų | 83 | 100.7 Ų | 100.7 | 58% | 0.58 | 53% | 0.531 | S | S | * | . | -164.1 | 149.2 | 121.9 | 64 | 0 | 0 | 0 | 0 | 112.5 | A271 | A271-S290 WeakPolarHBondContact CB-OG 3.39Š| |||
| 291 | K | 27.3 | Very low | 33.9 | Very low | 212 Ų | 212 | 100.1 Ų | 100.1 | 92% | 0.922 | 53% | 0.529 | S | S | * | . | trans | -75.2 | 135.5 | -174.2 | -68.2 | 176.6 | 175.2 | -179.5 | 0 | 112.2 | ||||
| 292 | S | 27.4 | Very low | 33.3 | Very low | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | trans | -98.9 | 147 | 166.8 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | E272 | E272-S292 PolarHBondContact OE1-OG 3.35Š| ||
| 293 | S | 25.9 | Very low | 33.7 | Very low | 112 Ų | 112 | 87.4 Ų | 87.4 | 78% | 0.783 | 47% | 0.47 | S | S | * | . | trans | -136.5 | 102.5 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 294 | V | 24.9 | Very low | 34.4 | Very low | 92 Ų | 92 | 79.8 Ų | 79.8 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | trans | -126.8 | 97.8 | 170.6 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | P207 | P207-V294 HydrophobicContact CB-CG1 4.33Å; P207-V294 HydrophobicContact CG-CG1 4.25Å | ||
| 295 | A | 25.7 | Very low | 35.3 | Very low | 77 Ų | 77 | 83.6 Ų | 83.6 | 64% | 0.636 | 44% | 0.437 | S | S | * | . | trans | -98.7 | 100.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 296 | G | 27.8 | Very low | 36.2 | Very low | 11 Ų | 11 | 77.6 Ų | 77.6 | 11% | 0.113 | 44% | 0.438 | C | S | . | . | trans | -107.6 | 151 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M475 | G296-M475 VanDerWaalsContact O-CE 3.28Å; G296-M475 WeakPolarHBondContact O-CE 3.21Å | ||
| 297 | A | 30.8 | Very low | 38.1 | Very low | 8 Ų | 8 | 72.2 Ų | 72.2 | 7% | 0.066 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 143 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V387 K476 | A297-V387 HydrophobicContact CB-CB 4.12Å; A297-V387 HydrophobicContact CB-CG1 3.93Å; A297-V387 HydrophobicContact CB-CG2 3.36Å; A297-K476 WeakPolarHBondContact CA-O 3.36Å; A297-K476 HydrophobicContact CB-CB 3.59Å |
| 298 | A | 30.3 | Very low | 39.8 | Very low | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 42% | 0.419 | C | S | . | . | trans | -111.7 | 150.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F208 K476 L477 | F208-A298 HydrophobicContact CE1-CB 4.38Å; F208-A298 HydrophobicContact CZ-CB 3.9Å; A298-K476 PolarHBondContact N-O 3.19Å; A298-L477 HydrophobicContact CB-CD2 3.47Å; A298-L477 VanDerWaalsContact CB-CD2 3.47Å | ||
| 299 | P | 41.5 | Very low | 42.2 | Very low | 13 Ų | 13 | 69.5 Ų | 69.5 | 8% | 0.084 | 39% | 0.389 | C | S | . | . | trans | -66.6 | 157.1 | 145.8 | 36.4 | -25.1 | 0 | 0 | 0 | 106.7 | I182 W303 | I182-P299 HydrophobicContact CB-CG 4.39Å; I182-P299 HydrophobicContact CG1-CB 4.29Å; I182-P299 HydrophobicContact CG1-CG 3.65Å; P299-W303 HydrophobicContact CB-CG 3.92Å; P299-W303 HydrophobicContact CG-CG 4.19Å | ||
| 300 | G | 47.7 | Very low | 44.8 | Very low | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | trans | -74.9 | -177.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D302 W478 | G300-D302 PolarHBondContact O-N 3.37Å; G300-W478 VanDerWaalsContact CA-CZ3 3.46Å | ||
| 301 | P | 49.2 | Very low | 47.5 | Very low | 14 Ų | 14 | 62.5 Ų | 62.5 | 9% | 0.091 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 131.2 | -173.9 | -21.2 | 30.3 | 0 | 0 | 0 | 110.2 | W303 Y516 | P301-W303 PolarHBondContact O-N 2.84Å; P301-Y516 HydrophobicContact CB-CD2 4.37Å |
| 302 | D | 50 | Low | 50.2 | Low | 54 Ų | 54 | 59.8 Ų | 59.8 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 33.4 | 158 | -141.2 | 1.4 | 0 | 0 | 0 | 115.4 | G300 A304 Y305 | G300-D302 PolarHBondContact O-N 3.37Å; D302-A304 PolarHBondContact O-N 3.45Å; D302-A304 VanDerWaalsContact O-N 3.11Å; D302-Y305 WeakPolarHBondContact O-CB 3.19Å; D302-Y305 PolarHBondContact O-N 3Å; D302-Y305 VanDerWaalsContact OD1-CB 3.26Å; D302-Y305 WeakPolarHBondContact OD1-CB 3.42Å; D302-Y305 WeakPolarHBondContact OD2-CB 3.29Å; D302-Y305 WeakPolarHBondContact OD2-CD2 3.35Å |
| 303 | W | 59.3 | Low | 52.8 | Low | 22 Ų | 22 | 57.4 Ų | 57.4 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.3 | 175.7 | 66.4 | -84.4 | 0 | 0 | 0 | 113.3 | L155 I161 E185 I186 P299 P301 R307 L309 W478 | L155-W303 HydrophobicContact CD1-CH2 3.6Å; L155-W303 HydrophobicContact CD1-CZ2 4.26Å; L155-W303 HydrophobicContact CD1-CZ3 4.01Å; I161-W303 HydrophobicContact CD1-CD2 4.39Å; I161-W303 HydrophobicContact CD1-CE3 3.64Å; I161-W303 HydrophobicContact CD1-CZ3 4.32Å; I161-W303 HydrophobicContact CG1-CE3 3.93Å; I161-W303 HydrophobicContact CG1-CZ3 4.1Å; I161-W303 HydrophobicContact CG2-CZ3 4.41Å; E185-W303 HydrophobicContact CB-CZ2 4.26Å; E185-W303 PolarHBondContact OE2-NE1 3Å; I186-W303 HydrophobicContact CG1-CH2 3.87Å; I186-W303 HydrophobicContact CG1-CZ2 3.92Å; P299-W303 HydrophobicContact CB-CG 3.92Å; P299-W303 HydrophobicContact CG-CG 4.19Å; P301-W303 PolarHBondContact O-N 2.84Å; W303-R307 PolarHBondContact O-NE 3.4Å; W303-R307 VanDerWaalsContact O-NE 3.08Å; W303-L309 HydrophobicContact CH2-CD1 4.27Å; W303-L309 HydrophobicContact CZ3-CD1 4.31Å; W303-W478 HydrophobicContact CB-CH2 4.34Å |
| 304 | A | 52.1 | Low | 54.9 | Low | 3 Ų | 3 | 57.4 Ų | 57.4 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -14.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E189 D302 G306 R307 L309 | E189-A304 HydrophobicContact CB-CB 4.15Å; E189-A304 HydrophobicContact CG-CB 3.74Å; D302-A304 PolarHBondContact O-N 3.45Å; D302-A304 VanDerWaalsContact O-N 3.11Å; A304-G306 PolarHBondContact O-N 3.03Å; A304-R307 VanDerWaalsContact O-CB 3.31Å; A304-R307 WeakPolarHBondContact O-CB 3.41Å; A304-R307 PolarHBondContact O-N 2.95Å; A304-L309 HydrophobicContact CB-CD1 4.1Å |
| 305 | Y | 50.4 | Low | 56.4 | Low | 182 Ų | 182 | 60.5 Ų | 60.5 | 71% | 0.714 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 131.6 | -177 | -163.5 | -115.6 | 0 | 0 | 0 | 112.7 | D302 R307 | D302-Y305 WeakPolarHBondContact O-CB 3.19Å; D302-Y305 PolarHBondContact O-N 3Å; D302-Y305 VanDerWaalsContact OD1-CB 3.26Å; D302-Y305 WeakPolarHBondContact OD1-CB 3.42Å; D302-Y305 WeakPolarHBondContact OD2-CB 3.29Å; D302-Y305 WeakPolarHBondContact OD2-CD2 3.35Å; Y305-R307 PolarHBondContact O-N 3.05Å; Y305-R307 VanDerWaalsContact O-N 3.08Å |
| 306 | G | 51.2 | Low | 57.8 | Low | 79 Ų | 79 | 57.8 Ų | 57.8 | 81% | 0.814 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 4.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A304 | A304-G306 PolarHBondContact O-N 3.03Š|
| 307 | R | 63.7 | Low | 59 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -95.8 | 135.5 | 178.7 | -61 | -174 | -172.7 | -105.1 | -5.1 | 110.9 | W303 A304 Y305 L309 | W303-R307 PolarHBondContact O-NE 3.4Å; W303-R307 VanDerWaalsContact O-NE 3.08Å; A304-R307 VanDerWaalsContact O-CB 3.31Å; A304-R307 WeakPolarHBondContact O-CB 3.41Å; A304-R307 PolarHBondContact O-N 2.95Å; Y305-R307 PolarHBondContact O-N 3.05Å; Y305-R307 VanDerWaalsContact O-N 3.08Å; R307-L309 HydrophobicContact CB-CG 4.45Å; R307-L309 PolarHBondContact O-N 3.08Å | ||
| 308 | K | 66.1 | Low | 60.1 | Low | 192 Ų | 192 | 67.3 Ų | 67.3 | 84% | 0.835 | 35% | 0.346 | S | S | * | . | trans | -80.5 | 97.7 | 169.5 | -67.1 | -174.5 | 180 | -177.3 | 0 | 109.6 | H310 | K308-H310 PolarHBondContact O-N 3.34Š| ||
| 309 | L | 80.4 | Confident | 61.2 | Low | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | trans | -96.1 | 74.8 | 172 | -62.8 | -178.1 | 0 | 0 | 0 | 109.6 | F164 Q165 L168 E189 V190 S191 W303 A304 R307 | F164-L309 HydrophobicContact CD1-CD2 4.2Å; F164-L309 HydrophobicContact CE1-CD1 4.45Å; F164-L309 HydrophobicContact CE1-CD2 4.11Å; Q165-L309 HydrophobicContact CG-CD2 3.75Å; L168-L309 HydrophobicContact CD2-CB 3.96Å; L168-L309 HydrophobicContact CD2-CD2 4.43Å; E189-L309 HydrophobicContact CB-CD1 4.05Å; V190-L309 HydrophobicContact CG2-CB 4.1Å; V190-L309 HydrophobicContact CG2-CD1 4.26Å; S191-L309 PolarHBondContact N-O 2.97Å; S191-L309 PolarHBondContact OG-O 3.33Å; W303-L309 HydrophobicContact CH2-CD1 4.27Å; W303-L309 HydrophobicContact CZ3-CD1 4.31Å; A304-L309 HydrophobicContact CB-CD1 4.1Å; R307-L309 HydrophobicContact CB-CG 4.45Å; R307-L309 PolarHBondContact O-N 3.08Å | ||
| 310 | H | 82.3 | Confident | 62.2 | Low | 77 Ų | 77 | 74.8 Ų | 74.8 | 36% | 0.356 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -118.1 | 129.2 | -177 | -162.5 | 75.7 | 0 | 0 | 0 | 111.9 | S191 G192 K308 L313 | S191-H310 CarbonylContact O-C 3.56Å; S191-H310 WeakPolarHBondContact O-CA 3.19Å; S191-H310 PolarHBondContact OG-ND1 2.85Å; G192-H310 VanDerWaalsContact CA-CE1 3.48Å; G192-H310 WeakPolarHBondContact CA-CE1 3.41Å; K308-H310 PolarHBondContact O-N 3.34Å; H310-L313 PolarHBondContact NE2-O 3.07Å |
| 311 | G | 83.2 | Confident | 63.9 | Low | 6 Ų | 6 | 75.6 Ų | 75.6 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | trans | -79.3 | -164.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L168 S191 G192 | L168-G311 VanDerWaalsContact O-CA 3.31Å; L168-G311 WeakPolarHBondContact O-CA 3.4Å; S191-G311 PolarHBondContact O-N 3.19Å; G192-G311 CarbonylContact O-C 3.58Å; G192-G311 WeakPolarHBondContact O-CA 3.27Å | ||
| 312 | R | 85.4 | Confident | 65.8 | Low | 155 Ų | 155 | 76.5 Ų | 76.5 | 59% | 0.585 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -79.3 | -25.7 | -175.9 | -173.9 | 173.4 | -175.2 | 171.7 | 2.5 | 114.4 | T171 G192 V314 | T171-R312 WeakPolarHBondContact O-CB 3.38Å; T171-R312 PolarHBondContact O-N 2.58Å; G192-R312 PolarHBondContact O-N 3.33Å; R312-V314 PolarHBondContact O-N 2.93Å |
| 313 | L | 81.6 | Confident | 67.8 | Low | 17 Ų | 17 | 77.9 Ų | 77.9 | 9% | 0.089 | 39% | 0.394 | C | S | . | . | trans | -75.3 | 119.3 | -173 | -54 | -179.1 | 0 | 0 | 0 | 110.5 | R172 G192 Q194 H310 T316 L321 V358 | R172-L313 HydrophobicContact CB-CD2 4.27Å; G192-L313 WeakPolarHBondContact CA-O 3.32Å; G192-L313 WeakPolarHBondContact O-CA 3.46Å; G192-L313 VanDerWaalsContact O-CB 3.26Å; G192-L313 WeakPolarHBondContact O-CB 3.28Å; G192-L313 PolarHBondContact O-N 3.31Å; Q194-L313 HydrophobicContact CG-CD1 4.29Å; H310-L313 PolarHBondContact NE2-O 3.07Å; L313-T316 HydrophobicContact CB-CG2 3.5Å; L313-T316 HydrophobicContact CD1-CG2 4.27Å; L313-L321 HydrophobicContact CD1-CD1 3.88Å; L313-V358 HydrophobicContact CD1-CG2 3.64Å; L313-V358 HydrophobicContact CD2-CG2 3.6Å; L313-V358 HydrophobicContact CG-CG2 4.27Å | ||
| 314 | V | 68.7 | Low | 69.5 | Low | 112 Ų | 112 | 77.7 Ų | 77.7 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | trans | -93.6 | 147.6 | 177.2 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | R312 T316 | R312-V314 PolarHBondContact O-N 2.93Å; V314-T316 VanDerWaalsContact C-N 3.3Å; V314-T316 PolarHBondContact O-N 3.37Å | ||
| 315 | N | 56.4 | Low | 71.6 | Confident | 157 Ų | 157 | 77.9 Ų | 77.9 | 84% | 0.84 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 65 | 22.7 | 176.2 | -57.9 | -29.2 | 0 | 0 | 0 | 116 | V317 | N315-V317 PolarHBondContact O-N 3.17Š|
| 316 | T | 55.3 | Low | 73.8 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 12% | 0.117 | 38% | 0.379 | C | S | . | . | trans | -70.9 | 125.9 | 173.9 | 57.3 | 0 | 0 | 0 | 0 | 108.9 | L313 V314 D318 L321 | L313-T316 HydrophobicContact CB-CG2 3.5Å; L313-T316 HydrophobicContact CD1-CG2 4.27Å; V314-T316 VanDerWaalsContact C-N 3.3Å; V314-T316 PolarHBondContact O-N 3.37Å; T316-D318 PolarHBondContact O-N 3.24Å; T316-L321 HydrophobicContact CG2-CD1 3.43Å; T316-L321 VanDerWaalsContact CG2-CD1 3.43Å | ||
| 317 | V | 52.8 | Low | 76 | Confident | 95 Ų | 95 | 76 Ų | 76 | 58% | 0.576 | 37% | 0.37 | S | S | * | . | trans | -60.6 | 114.5 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 106.1 | N315 G319 K320 | N315-V317 PolarHBondContact O-N 3.17Å; V317-G319 PolarHBondContact O-N 3.45Å; V317-K320 PolarHBondContact O-N 3.41Å | ||
| 318 | D | 53.7 | Low | 77.6 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 66% | 0.663 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 2 | -166 | -71.2 | -46.8 | 0 | 0 | 0 | 117 | T316 | T316-D318 PolarHBondContact O-N 3.24Š|
| 319 | G | 53.9 | Low | 79.1 | Confident | 20 Ų | 20 | 68.3 Ų | 68.3 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -13.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | K225 V317 | K225-G319 PolarHBondContact NZ-O 3.42Å; V317-G319 PolarHBondContact O-N 3.45Å |
| 320 | K | 62.2 | Low | 79.9 | Confident | 150 Ų | 150 | 69.3 Ų | 69.3 | 65% | 0.652 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -106.8 | 1.7 | -161.8 | -72.8 | -170.1 | 177 | -178.9 | 0 | 116.9 | V317 F350 | V317-K320 PolarHBondContact O-N 3.41Å; K320-F350 WeakPolarHBondContact O-CD1 3.43Å; K320-F350 WeakPolarHBondContact O-CE1 3.24Å |
| 321 | L | 83.2 | Confident | 80.5 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 10% | 0.099 | 35% | 0.352 | C | S | . | . | trans | -108.4 | 19.6 | -168.4 | -60.5 | -169.9 | 0 | 0 | 0 | 114.7 | C193 Q194 I195 L313 T316 F350 D356 | C193-L321 WeakPolarHBondContact O-CB 3.28Å; Q194-L321 CarbonylContact C-O 3.52Å; Q194-L321 HydrophobicContact CG-CD1 4.5Å; Q194-L321 HydrophobicContact CG-CD2 3.9Å; I195-L321 PolarHBondContact N-O 2.97Å; L313-L321 HydrophobicContact CD1-CD1 3.88Å; T316-L321 HydrophobicContact CG2-CD1 3.43Å; T316-L321 VanDerWaalsContact CG2-CD1 3.43Å; L321-F350 WeakPolarHBondContact O-CZ 3.47Å; L321-D356 WeakPolarHBondContact CD2-OD2 3.3Å | ||
| 322 | L | 89.6 | Confident | 81.2 | Confident | 32 Ų | 32 | 75 Ų | 75 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.2 | 170.2 | -178.2 | 69.5 | 0 | 0 | 0 | 110.2 | A187 I195 W197 V324 | A187-L322 HydrophobicContact CB-CD1 4.08Å; A187-L322 HydrophobicContact CB-CD2 4.24Å; I195-L322 HydrophobicContact CB-CD1 3.72Å; I195-L322 HydrophobicContact CG2-CD1 3.56Å; I195-L322 WeakPolarHBondContact O-CA 3.44Å; W197-L322 HydrophobicContact CB-CD1 3.92Å; W197-L322 HydrophobicContact CE3-CD1 4.45Å; W197-L322 HydrophobicContact CE3-CD2 4.29Å; L322-V324 HydrophobicContact CD2-CG2 4.34Å; L322-V324 HydrophobicContact CG-CG2 4.39Å |
| 323 | K | 92.3 | Very high | 81.8 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.6 | 169.7 | 170.3 | 62.6 | 179.8 | -179.7 | 0 | 108.5 | I195 I196 W197 V325 P349 F350 | I195-K323 PolarHBondContact O-N 3.43Å; I196-K323 CarbonylContact C-O 3.57Å; I196-K323 WeakPolarHBondContact CA-O 3.36Å; I196-K323 HydrophobicContact CD1-CB 3.89Å; I196-K323 HydrophobicContact CD1-CG 4.43Å; W197-K323 PolarHBondContact N-O 3.47Å; K323-V325 HydrophobicContact CG-CG2 4.26Å; K323-P349 HydrophobicContact CB-CB 4.24Å; K323-P349 HydrophobicContact CG-CB 4.24Å; K323-F350 HydrophobicContact CB-CE1 3.95Å; K323-F350 HydrophobicContact CB-CZ 3.74Å |
| 324 | V | 94.4 | Very high | 82.5 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 11% | 0.109 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.1 | 171 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | W197 I199 I204 L322 Y326 | W197-V324 HydrophobicContact CB-CG2 4.46Å; W197-V324 HydrophobicContact CE3-CG2 3.88Å; W197-V324 CarbonylContact O-C 3.54Å; W197-V324 WeakPolarHBondContact O-CA 3.45Å; I199-V324 HydrophobicContact CD1-CG1 3.98Å; I199-V324 HydrophobicContact CG1-CG1 4.16Å; I204-V324 HydrophobicContact CG2-CG1 4.09Å; I204-V324 HydrophobicContact CG2-CG2 4.37Å; L322-V324 HydrophobicContact CD2-CG2 4.34Å; L322-V324 HydrophobicContact CG-CG2 4.39Å; V324-Y326 HydrophobicContact CB-CD2 4.41Å; V324-Y326 HydrophobicContact CB-CE1 4.45Å; V324-Y326 HydrophobicContact CB-CE2 3.73Å; V324-Y326 HydrophobicContact CG1-CD1 4.06Å; V324-Y326 HydrophobicContact CG1-CD2 4.1Å; V324-Y326 HydrophobicContact CG1-CE1 3.62Å; V324-Y326 HydrophobicContact CG1-CE2 3.69Å; V324-Y326 HydrophobicContact CG1-CG 4.27Å; V324-Y326 VanDerWaalsContact CG1-CZ 3.42Å |
| 325 | V | 97.4 | Very high | 83.8 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 106.3 | 172.9 | -165.5 | 0 | 0 | 0 | 0 | 107 | I196 W197 I199 K323 T328 L370 E374 Y376 | I196-V325 HydrophobicContact CG2-CG2 3.77Å; W197-V325 PolarHBondContact O-N 2.89Å; I199-V325 PolarHBondContact N-O 3.3Å; K323-V325 HydrophobicContact CG-CG2 4.26Å; V325-T328 HydrophobicContact CB-CG2 4Å; V325-T328 HydrophobicContact CG1-CG2 3.52Å; V325-L370 HydrophobicContact CB-CD1 4.41Å; V325-L370 HydrophobicContact CG1-CD1 4.02Å; V325-E374 VanDerWaalsContact CG1-OE2 3.31Å; V325-E374 WeakPolarHBondContact CG1-OE2 3.24Å; V325-Y376 HydrophobicContact CG2-CE2 4.18Å |
| 326 | Y | 96.8 | Very high | 85.5 | Confident | 89 Ų | 89 | 60.1 Ų | 60.1 | 35% | 0.349 | 30% | 0.299 | S | S | . | . | trans | -82.9 | 160.4 | -174.9 | -62.1 | -87 | 0 | 0 | 0 | 111.9 | I199 S202 I204 V324 T328 | I199-Y326 HydrophobicContact CD1-CD1 3.6Å; I199-Y326 HydrophobicContact CD1-CE1 3.77Å; I199-Y326 HydrophobicContact CG1-CD1 4.02Å; I199-Y326 CarbonylContact O-C 3.58Å; S202-Y326 WeakPolarHBondContact O-CD1 3.27Å; I204-Y326 HydrophobicContact CG2-CE1 4.13Å; V324-Y326 HydrophobicContact CB-CD2 4.41Å; V324-Y326 HydrophobicContact CB-CE1 4.45Å; V324-Y326 HydrophobicContact CB-CE2 3.73Å; V324-Y326 HydrophobicContact CG1-CD1 4.06Å; V324-Y326 HydrophobicContact CG1-CD2 4.1Å; V324-Y326 HydrophobicContact CG1-CE1 3.62Å; V324-Y326 HydrophobicContact CG1-CE2 3.69Å; V324-Y326 HydrophobicContact CG1-CG 4.27Å; V324-Y326 VanDerWaalsContact CG1-CZ 3.42Å; Y326-T328 PolarHBondContact O-N 2.94Å; Y326-T328 VanDerWaalsContact O-N 3.14Å | ||
| 327 | Q | 97 | Very high | 87.4 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 63% | 0.626 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 51.6 | 39.1 | 169.5 | -61.2 | 179.3 | -53.7 | 0 | 0 | 114.7 | I199 K200 D201 | I199-Q327 PolarHBondContact O-N 2.95Å; K200-Q327 WeakPolarHBondContact O-CA 3.18Å; D201-Q327 PolarHBondContact O-N 3.36Å; D201-Q327 VanDerWaalsContact O-N 3.1Å |
| 328 | T | 97.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | trans | -142.9 | 162.8 | -175.2 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | V198 I199 V325 Y326 L370 T371 | V198-T328 HydrophobicContact CG1-CG2 3.72Å; I199-T328 CarbonylContact C-O 3.53Å; I199-T328 PolarHBondContact O-N 2.77Å; I199-T328 VanDerWaalsContact O-O 3.06Å; V325-T328 HydrophobicContact CB-CG2 4Å; V325-T328 HydrophobicContact CG1-CG2 3.52Å; Y326-T328 PolarHBondContact O-N 2.94Å; Y326-T328 VanDerWaalsContact O-N 3.14Å; T328-L370 HydrophobicContact CG2-CD1 4.1Å; T328-T371 PolarHBondContact OG1-OG1 3.03Å; T328-T371 VanDerWaalsContact OG1-OG1 3.13Å | ||
| 329 | K | 96.3 | Very high | 91.3 | Very high | 111 Ų | 111 | 61.3 Ų | 61.3 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | trans | -132.6 | 158.5 | 179.4 | -62.2 | 173.3 | -169.8 | 168.9 | 0 | 108.7 | K200 K331 L370 T371 | K200-K329 HydrophobicContact CD-CD 4.29Å; K200-K329 HydrophobicContact CD-CG 4.13Å; K200-K329 HydrophobicContact CG-CD 4.3Å; K200-K329 HydrophobicContact CG-CG 3.69Å; K329-K331 PolarHBondContact O-N 2.56Å; K329-L370 CarbonylContact O-C 3.55Å; K329-L370 VanDerWaalsContact O-CA 3.27Å; K329-L370 WeakPolarHBondContact O-CA 3.28Å; K329-T371 HydrophobicContact CB-CG2 3.92Å; K329-T371 PolarHBondContact N-OG1 3.47Å; K329-T371 PolarHBondContact O-N 2.97Å; K329-T371 PolarHBondContact O-OG1 3.49Å | ||
| 330 | I | 97.1 | Very high | 93.1 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 14% | 0.144 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 125.7 | 161.9 | -65.6 | -167.7 | 0 | 0 | 0 | 107.9 | I145 V177 F333 V368 L370 V381 | I145-I330 HydrophobicContact CD1-CD1 4.09Å; V177-I330 HydrophobicContact CG2-CD1 3.55Å; V177-I330 HydrophobicContact CG2-CG1 4.04Å; I330-F333 HydrophobicContact CD1-CE1 3.72Å; I330-F333 HydrophobicContact CD1-CZ 3.63Å; I330-F333 HydrophobicContact CG2-CE1 4.32Å; I330-F333 HydrophobicContact CG2-CE2 4.25Å; I330-F333 HydrophobicContact CG2-CZ 4.06Å; I330-V368 HydrophobicContact CB-CG1 4.35Å; I330-V368 HydrophobicContact CD1-CG1 3.58Å; I330-V368 HydrophobicContact CG1-CG1 3.65Å; I330-V368 HydrophobicContact CG2-CG1 4.03Å; I330-L370 HydrophobicContact CG1-CD2 4.13Å; I330-V381 HydrophobicContact CD1-CG1 4.17Å |
| 331 | K | 96.9 | Very high | 94.6 | Very high | 120 Ų | 120 | 63.1 Ų | 63.1 | 52% | 0.522 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -49.5 | 171.6 | 178.2 | 179 | 163.6 | -160.9 | 0 | 110.2 | K329 E369 T371 | K329-K331 PolarHBondContact O-N 2.56Å; K331-E369 WeakPolarHBondContact CA-O 3.38Å; K331-E369 HydrophobicContact CB-CG 4.43Å; K331-E369 WeakPolarHBondContact CB-O 3.41Å; K331-E369 HydrophobicContact CD-CG 4.13Å; K331-E369 PolarHBondContact N-O 2.65Å; K331-E369 VanDerWaalsContact NZ-CD 3.34Å; K331-E369 IonicContact NZ-OE1 2.63Å; K331-E369 PolarHBondContact NZ-OE1 3.06Å; K331-E369 IonicContact NZ-OE2 3.4Å; K331-E369 PolarHBondContact NZ-OE2 3.11Å; K331-T371 HydrophobicContact CB-CG2 4.11Å |
| 332 | Q | 96.8 | Very high | 95 | Very high | 81 Ų | 81 | 65.8 Ų | 65.8 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 162.2 | 176.8 | 58.4 | -178.1 | -10 | 0 | 0 | 112.3 | L334 E369 | Q332-L334 HydrophobicContact CG-CD2 4.33Å; Q332-L334 HydrophobicContact CG-CG 4.42Å; Q332-E369 HydrophobicContact CG-CB 4.01Å; Q332-E369 WeakPolarHBondContact CG-OE2 3.29Å; Q332-E369 PolarHBondContact N-O 3.14Å; Q332-E369 PolarHBondContact NE2-OE2 2.95Å; Q332-E369 PolarHBondContact O-N 3.2Å |
| 333 | F | 97.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.1 | 167.2 | -60.3 | -74.9 | 0 | 0 | 0 | 109.5 | I145 D146 H149 V152 I330 V366 V368 V381 | I145-F333 HydrophobicContact CG2-CE2 3.99Å; I145-F333 HydrophobicContact CG2-CZ 4.07Å; D146-F333 HydrophobicContact CB-CD2 4.33Å; D146-F333 HydrophobicContact CB-CE2 3.84Å; H149-F333 AromaticContact CD2-CG 3.99Å; H149-F333 AromaticContact NE2-CG 3.97Å; V152-F333 HydrophobicContact CG2-CE1 3.93Å; V152-F333 HydrophobicContact CG2-CE2 4.06Å; V152-F333 HydrophobicContact CG2-CZ 3.57Å; I330-F333 HydrophobicContact CD1-CE1 3.72Å; I330-F333 HydrophobicContact CD1-CZ 3.63Å; I330-F333 HydrophobicContact CG2-CE1 4.32Å; I330-F333 HydrophobicContact CG2-CE2 4.25Å; I330-F333 HydrophobicContact CG2-CZ 4.06Å; F333-V366 HydrophobicContact CB-CG2 4.32Å; F333-V366 HydrophobicContact CD1-CG2 4.06Å; F333-V368 HydrophobicContact CD1-CG2 3.97Å; F333-V368 HydrophobicContact CE1-CG1 4.43Å; F333-V368 HydrophobicContact CE1-CG2 3.99Å; F333-V381 HydrophobicContact CE1-CB 4.41Å; F333-V381 HydrophobicContact CE1-CG1 4.07Å; F333-V381 HydrophobicContact CE1-CG2 3.97Å; F333-V381 HydrophobicContact CZ-CG1 4.36Å |
| 334 | L | 96.5 | Very high | 94.6 | Very high | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.8 | 179.6 | -60.6 | 165 | 0 | 0 | 0 | 108.6 | Q332 E338 F339 L342 Y367 E369 | Q332-L334 HydrophobicContact CG-CD2 4.33Å; Q332-L334 HydrophobicContact CG-CG 4.42Å; L334-E338 HydrophobicContact CB-CB 4.28Å; L334-E338 HydrophobicContact CD2-CB 4.04Å; L334-F339 HydrophobicContact CB-CB 4.47Å; L334-L342 HydrophobicContact CD1-CD1 3.43Å; L334-L342 VanDerWaalsContact CD1-CD1 3.43Å; L334-L342 HydrophobicContact CD2-CD1 3.94Å; L334-L342 HydrophobicContact CG-CD1 4.33Å; L334-Y367 PolarHBondContact N-O 3.33Å; L334-Y367 PolarHBondContact O-N 2.7Å; L334-E369 HydrophobicContact CD1-CB 4.35Å |
| 335 | S | 95.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 77.5 Ų | 77.5 | 32% | 0.315 | 38% | 0.38 | S | S | . | . | trans | -66.7 | 162.2 | 164.8 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | K337 E338 F339 | S335-K337 PolarHBondContact O-N 3Å; S335-E338 VanDerWaalsContact CB-OE2 3.26Å; S335-E338 WeakPolarHBondContact CB-OE2 3.29Å; S335-E338 PolarHBondContact N-OE2 3.5Å; S335-E338 PolarHBondContact O-N 3.28Å; S335-E338 VanDerWaalsContact O-N 3.16Å; S335-E338 VanDerWaalsContact OG-CD 3.27Å; S335-E338 VanDerWaalsContact OG-CG 3.28Å; S335-E338 WeakPolarHBondContact OG-CG 3.23Å; S335-E338 PolarHBondContact OG-N 3.28Å; S335-E338 PolarHBondContact OG-OE2 2.93Å; S335-F339 PolarHBondContact O-N 2.91Å | ||
| 336 | P | 94 | Very high | 94.1 | Very high | 40 Ų | 40 | 79.4 Ų | 79.4 | 26% | 0.26 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -53.3 | -41 | 176.1 | -19.1 | 24.1 | 0 | 0 | 0 | 112.2 | F339 H340 W364 Y367 | P336-F339 PolarHBondContact O-N 2.97Å; P336-H340 PolarHBondContact O-CD2 3.11Å; P336-H340 PolarHBondContact O-N 3.28Å; P336-W364 WeakPolarHBondContact CG-O 3.23Å; P336-Y367 HydrophobicContact CB-CE2 4.38Å |
| 337 | K | 93.8 | Very high | 93.9 | Very high | 149 Ų | 149 | 76.9 Ų | 76.9 | 65% | 0.648 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.8 | -49.6 | 178.1 | -174.4 | -176.6 | 174.8 | -172.6 | 0 | 111.9 | S335 F339 H340 D341 | S335-K337 PolarHBondContact O-N 3Å; K337-F339 VanDerWaalsContact C-N 3.26Å; K337-F339 PolarHBondContact O-N 3Å; K337-H340 PolarHBondContact O-N 3.2Å; K337-D341 WeakPolarHBondContact O-CB 3.22Å; K337-D341 VanDerWaalsContact O-CG 3.24Å; K337-D341 PolarHBondContact O-N 2.85Å |
| 338 | E | 95.5 | Very high | 93.5 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 46% | 0.458 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 178.8 | -70.9 | 161.6 | 143.1 | 0 | 0 | 111.6 | L334 S335 D341 L342 | L334-E338 HydrophobicContact CB-CB 4.28Å; L334-E338 HydrophobicContact CD2-CB 4.04Å; S335-E338 VanDerWaalsContact CB-OE2 3.26Å; S335-E338 WeakPolarHBondContact CB-OE2 3.29Å; S335-E338 PolarHBondContact N-OE2 3.5Å; S335-E338 PolarHBondContact O-N 3.28Å; S335-E338 VanDerWaalsContact O-N 3.16Å; S335-E338 VanDerWaalsContact OG-CD 3.27Å; S335-E338 VanDerWaalsContact OG-CG 3.28Å; S335-E338 WeakPolarHBondContact OG-CG 3.23Å; S335-E338 PolarHBondContact OG-N 3.28Å; S335-E338 PolarHBondContact OG-OE2 2.93Å; E338-D341 PolarHBondContact O-N 2.89Å; E338-L342 WeakPolarHBondContact O-CG 3.24Å; E338-L342 PolarHBondContact O-N 2.91Å |
| 339 | F | 94.1 | Very high | 93 | Very high | 16 Ų | 16 | 76 Ų | 76 | 7% | 0.07 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.4 | 172.8 | -105.3 | 0 | 0 | 0 | 112.3 | L334 S335 P336 K337 D341 L342 R344 E346 Y367 I375 | L334-F339 HydrophobicContact CB-CB 4.47Å; S335-F339 PolarHBondContact O-N 2.91Å; P336-F339 PolarHBondContact O-N 2.97Å; K337-F339 VanDerWaalsContact C-N 3.26Å; K337-F339 PolarHBondContact O-N 3Å; F339-D341 VanDerWaalsContact C-N 3.31Å; F339-D341 PolarHBondContact O-N 3.4Å; F339-L342 WeakPolarHBondContact O-CB 3.46Å; F339-L342 PolarHBondContact O-N 3.03Å; F339-R344 WeakPolarHBondContact CZ-O 3.34Å; F339-E346 HydrophobicContact CZ-CB 4Å; F339-Y367 HydrophobicContact CB-CD1 4.31Å; F339-Y367 HydrophobicContact CB-CD2 3.67Å; F339-Y367 HydrophobicContact CB-CE2 4.09Å; F339-Y367 HydrophobicContact CB-CG 3.8Å; F339-Y367 AromaticContact CD1-CD1 3.82Å; F339-Y367 HydrophobicContact CD1-CD1 3.82Å; F339-Y367 HydrophobicContact CD1-CD2 4.09Å; F339-Y367 AromaticContact CD1-CE1 3.47Å; F339-Y367 HydrophobicContact CD1-CE1 3.47Å; F339-Y367 VanDerWaalsContact CD1-CE1 3.47Å; F339-Y367 AromaticContact CD1-CE2 3.79Å; F339-Y367 HydrophobicContact CD1-CE2 3.79Å; F339-Y367 HydrophobicContact CD1-CG 4.12Å; F339-Y367 AromaticContact CD1-CZ 3.45Å; F339-Y367 VanDerWaalsContact CD1-CZ 3.45Å; F339-Y367 AromaticContact CD2-CD1 3.72Å; F339-Y367 HydrophobicContact CD2-CD1 3.72Å; F339-Y367 HydrophobicContact CD2-CE1 4.17Å; F339-Y367 AromaticContact CD2-CG 3.95Å; F339-Y367 HydrophobicContact CD2-CG 3.95Å; F339-Y367 HydrophobicContact CE1-CD1 4.04Å; F339-Y367 AromaticContact CE1-CE1 3.47Å; F339-Y367 HydrophobicContact CE1-CE1 3.47Å; F339-Y367 VanDerWaalsContact CE1-CE1 3.47Å; F339-Y367 AromaticContact CE1-CZ 3.77Å; F339-Y367 AromaticContact CE2-CD1 3.95Å; F339-Y367 HydrophobicContact CE2-CD1 3.95Å; F339-Y367 HydrophobicContact CE2-CE1 4.18Å; F339-Y367 AromaticContact CG-CD1 3.65Å; F339-Y367 HydrophobicContact CG-CD1 3.65Å; F339-Y367 AromaticContact CG-CD2 3.86Å; F339-Y367 HydrophobicContact CG-CD2 3.86Å; F339-Y367 AromaticContact CG-CE1 3.83Å; F339-Y367 HydrophobicContact CG-CE1 3.83Å; F339-Y367 HydrophobicContact CG-CE2 4.05Å; F339-Y367 AromaticContact CG-CG 3.66Å; F339-Y367 HydrophobicContact CG-CG 3.66Å; F339-Y367 HydrophobicContact CZ-CD1 4.1Å; F339-Y367 AromaticContact CZ-CE1 3.85Å; F339-Y367 HydrophobicContact CZ-CE1 3.85Å; F339-I375 HydrophobicContact CD2-CG2 3.91Å; F339-I375 HydrophobicContact CE2-CD1 4.42Å; F339-I375 HydrophobicContact CE2-CG2 3.81Å |
| 340 | H | 91.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 72.5 Ų | 72.5 | 44% | 0.44 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.1 | -70.6 | -54.3 | 0 | 0 | 0 | 112.2 | P336 K337 L342 S343 D363 | P336-H340 PolarHBondContact O-CD2 3.11Å; P336-H340 PolarHBondContact O-N 3.28Å; K337-H340 PolarHBondContact O-N 3.2Å; H340-L342 VanDerWaalsContact C-N 3.28Å; H340-L342 PolarHBondContact O-N 2.58Å; H340-S343 PolarHBondContact O-N 3.08Å; H340-D363 IonicContact CD2-OD2 2.82Å; H340-D363 IonicContact CE1-OD1 3.32Å; H340-D363 IonicContact CE1-OD2 2.66Å; H340-D363 VanDerWaalsContact NE2-CG 3.35Å; H340-D363 IonicContact NE2-OD1 3.22Å; H340-D363 PolarHBondContact NE2-OD1 2.9Å; H340-D363 IonicContact NE2-OD2 3.25Å; H340-D363 PolarHBondContact NE2-OD2 3.35Å |
| 341 | D | 94.1 | Very high | 90.8 | Very high | 114 Ų | 114 | 76.6 Ų | 76.6 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -66 | -27.8 | 178.1 | -69.9 | -19.3 | 0 | 0 | 0 | 112.4 | K337 E338 F339 S343 | K337-D341 WeakPolarHBondContact O-CB 3.22Å; K337-D341 VanDerWaalsContact O-CG 3.24Å; K337-D341 PolarHBondContact O-N 2.85Å; E338-D341 PolarHBondContact O-N 2.89Å; F339-D341 VanDerWaalsContact C-N 3.31Å; F339-D341 PolarHBondContact O-N 3.4Å; D341-S343 VanDerWaalsContact C-N 3.26Å; D341-S343 PolarHBondContact O-N 3.01Å |
| 342 | L | 90.2 | Very high | 88.8 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 39% | 0.387 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -16.4 | 178.1 | -75.7 | 170 | 0 | 0 | 0 | 114.1 | L334 E338 F339 H340 R344 | L334-L342 HydrophobicContact CD1-CD1 3.43Å; L334-L342 VanDerWaalsContact CD1-CD1 3.43Å; L334-L342 HydrophobicContact CD2-CD1 3.94Å; L334-L342 HydrophobicContact CG-CD1 4.33Å; E338-L342 WeakPolarHBondContact O-CG 3.24Å; E338-L342 PolarHBondContact O-N 2.91Å; F339-L342 WeakPolarHBondContact O-CB 3.46Å; F339-L342 PolarHBondContact O-N 3.03Å; H340-L342 VanDerWaalsContact C-N 3.28Å; H340-L342 PolarHBondContact O-N 2.58Å; L342-R344 HydrophobicContact CB-CG 4.41Å; L342-R344 PolarHBondContact O-N 3.19Å; L342-R344 VanDerWaalsContact O-N 3.17Å |
| 343 | S | 85.9 | Confident | 86.6 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 32.2 | -176.8 | -56.7 | 0 | 0 | 0 | 0 | 114 | H340 D341 | H340-S343 PolarHBondContact O-N 3.08Å; D341-S343 VanDerWaalsContact C-N 3.26Å; D341-S343 PolarHBondContact O-N 3.01Å |
| 344 | R | 89.1 | Confident | 84.4 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 40% | 0.4 | 43% | 0.428 | S | S | . | . | trans | -106.5 | 155.2 | 175.8 | -66.6 | -177.1 | 69.5 | -166.3 | -3.5 | 110.5 | F339 L342 E369 G373 I375 | F339-R344 WeakPolarHBondContact CZ-O 3.34Å; L342-R344 HydrophobicContact CB-CG 4.41Å; L342-R344 PolarHBondContact O-N 3.19Å; L342-R344 VanDerWaalsContact O-N 3.17Å; R344-E369 IonicContact NH1-OE1 2.87Å; R344-E369 PolarHBondContact NH1-OE1 3.08Å; R344-G373 PolarHBondContact NH2-O 3.42Å; R344-I375 HydrophobicContact CB-CD1 4.12Å | ||
| 345 | L | 89.1 | Confident | 82.1 | Confident | 159 Ų | 159 | 89.7 Ų | 89.7 | 83% | 0.832 | 47% | 0.467 | S | S | * | . | trans | -86.3 | 144.4 | 176.3 | -67.8 | 171.5 | 0 | 0 | 0 | 111.4 | ||||
| 346 | E | 91 | Very high | 80.1 | Confident | 46 Ų | 46 | 89 Ų | 89 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | trans | -64.1 | 138.9 | 168.4 | -175.7 | -173.3 | 149.4 | 0 | 0 | 109.7 | R173 F339 L348 W364 Y367 | R173-E346 IonicContact CZ-OE1 3.78Å; R173-E346 IonicContact NH1-OE1 3.71Å; R173-E346 PolarHBondContact NH1-OE1 3.35Å; R173-E346 IonicContact NH2-OE1 3.53Å; R173-E346 PolarHBondContact NH2-OE1 2.93Å; F339-E346 HydrophobicContact CZ-CB 4Å; E346-L348 PolarHBondContact O-N 2.94Å; E346-W364 PolarHBondContact OE1-NE1 3.08Å; E346-W364 VanDerWaalsContact OE1-NE1 3.1Å; E346-W364 VanDerWaalsContact OE2-CD1 3.26Å; E346-W364 PolarHBondContact OE2-NE1 2.87Å; E346-Y367 HydrophobicContact CG-CE1 4.49Å | ||
| 347 | T | 93 | Very high | 78.1 | Confident | 37 Ų | 37 | 93.4 Ų | 93.4 | 23% | 0.227 | 48% | 0.481 | C | S | . | . | trans | -79.5 | 115 | 170.8 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | P349 E374 I375 Y376 | T347-P349 WeakPolarHBondContact O-CD 3.45Å; T347-E374 HydrophobicContact CG2-CB 4.17Å; T347-E374 HydrophobicContact CG2-CG 4.1Å; T347-I375 WeakPolarHBondContact CB-O 3.22Å; T347-I375 PolarHBondContact N-O 2.76Å; T347-I375 PolarHBondContact OG1-N 3.43Å; T347-I375 PolarHBondContact OG1-O 2.9Å; T347-Y376 HydrophobicContact CG2-CD1 4.45Å; T347-Y376 HydrophobicContact CG2-CE1 3.61Å; T347-Y376 HydrophobicContact CG2-CE2 4.5Å; T347-Y376 WeakPolarHBondContact O-CD1 3.06Å; T347-Y376 WeakPolarHBondContact O-CE1 3.41Å | ||
| 348 | L | 89.3 | Confident | 76.4 | Confident | 100 Ų | 100 | 86.7 Ų | 86.7 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | trans | -84.2 | 115.4 | 177.3 | -63.2 | 179.4 | 0 | 0 | 0 | 109.8 | E346 | E346-L348 PolarHBondContact O-N 2.94Š| ||
| 349 | P | 85.9 | Confident | 74.5 | Confident | 19 Ų | 19 | 85.5 Ų | 85.5 | 12% | 0.123 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -78.1 | -22.4 | -170.2 | 24.2 | -27.4 | 0 | 0 | 0 | 114.4 | I196 K323 T347 Y376 | I196-P349 HydrophobicContact CD1-CB 3.23Å; I196-P349 HydrophobicContact CD1-CG 3.46Å; I196-P349 VanDerWaalsContact CD1-CG 3.46Å; I196-P349 HydrophobicContact CG1-CB 4.38Å; I196-P349 HydrophobicContact CG1-CG 4.37Å; K323-P349 HydrophobicContact CB-CB 4.24Å; K323-P349 HydrophobicContact CG-CB 4.24Å; T347-P349 WeakPolarHBondContact O-CD 3.45Å; P349-Y376 HydrophobicContact CB-CD1 4.31Å; P349-Y376 HydrophobicContact CB-CE1 3.82Å; P349-Y376 HydrophobicContact CG-CD1 4.31Å; P349-Y376 HydrophobicContact CG-CE1 4.28Å |
| 350 | F | 81.7 | Confident | 72.4 | Confident | 37 Ų | 37 | 88.6 Ų | 88.6 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -129.1 | 141 | -178.1 | -52.5 | -79.4 | 0 | 0 | 0 | 108.5 | Q194 I196 K320 L321 K323 | Q194-F350 HydrophobicContact CB-CD2 4.35Å; Q194-F350 HydrophobicContact CB-CE2 3.72Å; Q194-F350 VanDerWaalsContact CD-CD2 3.48Å; Q194-F350 HydrophobicContact CG-CD2 3.69Å; Q194-F350 HydrophobicContact CG-CE2 3.52Å; I196-F350 HydrophobicContact CD1-CE2 3.93Å; I196-F350 HydrophobicContact CD1-CZ 4.25Å; K320-F350 WeakPolarHBondContact O-CD1 3.43Å; K320-F350 WeakPolarHBondContact O-CE1 3.24Å; L321-F350 WeakPolarHBondContact O-CZ 3.47Å; K323-F350 HydrophobicContact CB-CE1 3.95Å; K323-F350 HydrophobicContact CB-CZ 3.74Å |
| 351 | T | 66.1 | Low | 70.7 | Confident | 113 Ų | 113 | 89.3 Ų | 89.3 | 69% | 0.693 | 49% | 0.489 | S | S | * | . | trans | -71 | 139.1 | 175.5 | 56 | 0 | 0 | 0 | 0 | 110.3 | K353 S354 | T351-K353 PolarHBondContact O-N 3.28Å; T351-S354 PolarHBondContact O-N 2.86Å | ||
| 352 | D | 55 | Low | 69.5 | Low | 120 Ų | 120 | 89.5 Ų | 89.5 | 64% | 0.642 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 8.9 | 179.4 | -76.2 | -33.1 | 0 | 0 | 0 | 116.3 | S354 S359 | D352-S354 PolarHBondContact O-N 3.46Å; D352-S359 PolarHBondContact OD1-OG 2.88Å |
| 353 | K | 51.1 | Low | 69.3 | Low | 204 Ų | 204 | 90.2 Ų | 90.2 | 89% | 0.887 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.2 | 171.8 | -70.4 | -166.3 | 178 | -177.1 | 0 | 112.9 | T351 | T351-K353 PolarHBondContact O-N 3.28Š|
| 354 | S | 51.1 | Low | 69.7 | Low | 35 Ų | 35 | 85.2 Ų | 85.2 | 25% | 0.245 | 46% | 0.458 | C | S | . | . | S | Bend | trans | -82.6 | 134.3 | 164.4 | 44.9 | 0 | 0 | 0 | 0 | 108.1 | T351 D352 D356 | T351-S354 PolarHBondContact O-N 2.86Å; D352-S354 PolarHBondContact O-N 3.46Å; S354-D356 WeakPolarHBondContact CB-OD1 3.28Å; S354-D356 VanDerWaalsContact CB-OD2 3.24Å; S354-D356 WeakPolarHBondContact CB-OD2 3.21Å; S354-D356 PolarHBondContact O-N 3.24Å; S354-D356 PolarHBondContact OG-OD2 2.91Å |
| 355 | D | 47.9 | Very low | 70 | Confident | 162 Ų | 162 | 81.9 Ų | 81.9 | 87% | 0.866 | 45% | 0.45 | S | S | * | . | trans | -66 | 34.3 | 171.4 | -136.6 | -0.4 | 0 | 0 | 0 | 111 | N357 | D355-N357 PolarHBondContact O-N 3.37Š| ||
| 356 | D | 52.6 | Low | 70.3 | Confident | 29 Ų | 29 | 74.3 Ų | 74.3 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | trans | -73.9 | 102.8 | -174.4 | -71.8 | -16.5 | 0 | 0 | 0 | 106.7 | L321 S354 V358 | L321-D356 WeakPolarHBondContact CD2-OD2 3.3Å; S354-D356 WeakPolarHBondContact CB-OD1 3.28Å; S354-D356 VanDerWaalsContact CB-OD2 3.24Å; S354-D356 WeakPolarHBondContact CB-OD2 3.21Å; S354-D356 PolarHBondContact O-N 3.24Å; S354-D356 PolarHBondContact OG-OD2 2.91Å; D356-V358 HydrophobicContact CB-CG2 4.19Å; D356-V358 PolarHBondContact O-N 3.26Å | ||
| 357 | N | 52.1 | Low | 70.6 | Confident | 134 Ų | 134 | 72.4 Ų | 72.4 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 16.2 | 171.4 | -77.1 | -48.7 | 0 | 0 | 0 | 114.6 | D355 | D355-N357 PolarHBondContact O-N 3.37Š|
| 358 | V | 58.4 | Low | 70.9 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -41.6 | 178.6 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | L313 D356 S360 W364 | L313-V358 HydrophobicContact CD1-CG2 3.64Å; L313-V358 HydrophobicContact CD2-CG2 3.6Å; L313-V358 HydrophobicContact CG-CG2 4.27Å; D356-V358 HydrophobicContact CB-CG2 4.19Å; D356-V358 PolarHBondContact O-N 3.26Å; V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 2.99Å; V358-W364 HydrophobicContact CG1-CH2 3.46Å; V358-W364 VanDerWaalsContact CG1-CH2 3.46Å; V358-W364 HydrophobicContact CG1-CZ2 3.58Å |
| 359 | S | 55.9 | Low | 71.3 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 51% | 0.51 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.7 | -168.6 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | D352 | D352-S359 PolarHBondContact OD1-OG 2.88Š|
| 360 | S | 50 | Low | 71.9 | Confident | 81 Ų | 81 | 65.2 Ų | 65.2 | 57% | 0.566 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -2 | -155.3 | 58.2 | 0 | 0 | 0 | 0 | 118.9 | V358 | V358-S360 VanDerWaalsContact C-N 3.29Å; V358-S360 PolarHBondContact O-N 2.99Å |
| 361 | V | 54.8 | Low | 72.6 | Confident | 110 Ų | 110 | 67.2 Ų | 67.2 | 67% | 0.667 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -138.8 | -26.9 | -171.4 | -166.2 | 0 | 0 | 0 | 0 | 120.1 | ||
| 362 | N | 69.2 | Low | 74.1 | Confident | 119 Ų | 119 | 65.5 Ų | 65.5 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | trans | -152.1 | 147.6 | -176.6 | -70.5 | -52.3 | 0 | 0 | 0 | 114.4 | R172 | R172-N362 PolarHBondContact NH1-O 3.4Š| ||
| 363 | D | 86.3 | Confident | 76 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | trans | -47 | 148.9 | 164.3 | -80.7 | -6.2 | 0 | 0 | 0 | 111.3 | H340 | H340-D363 IonicContact CD2-OD2 2.82Å; H340-D363 IonicContact CE1-OD1 3.32Å; H340-D363 IonicContact CE1-OD2 2.66Å; H340-D363 VanDerWaalsContact NE2-CG 3.35Å; H340-D363 IonicContact NE2-OD1 3.22Å; H340-D363 PolarHBondContact NE2-OD1 2.9Å; H340-D363 IonicContact NE2-OD2 3.25Å; H340-D363 PolarHBondContact NE2-OD2 3.35Å | ||
| 364 | W | 93.6 | Very high | 78.2 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.038 | 31% | 0.313 | C | S | . | . | trans | -82.6 | 140 | 174.7 | -61.4 | 98.9 | 0 | 0 | 0 | 110.5 | R172 R173 P336 E346 V358 V366 Y367 G377 C378 D379 | R172-W364 HydrophobicContact CB-CH2 4.08Å; R172-W364 HydrophobicContact CB-CZ3 4Å; R172-W364 VanDerWaalsContact NH2-CE3 3.26Å; R173-W364 HydrophobicContact CB-CH2 3.47Å; R173-W364 VanDerWaalsContact CB-CH2 3.47Å; R173-W364 HydrophobicContact CB-CZ2 4.37Å; R173-W364 HydrophobicContact CB-CZ3 3.63Å; P336-W364 WeakPolarHBondContact CG-O 3.23Å; E346-W364 PolarHBondContact OE1-NE1 3.08Å; E346-W364 VanDerWaalsContact OE1-NE1 3.1Å; E346-W364 VanDerWaalsContact OE2-CD1 3.26Å; E346-W364 PolarHBondContact OE2-NE1 2.87Å; V358-W364 HydrophobicContact CG1-CH2 3.46Å; V358-W364 VanDerWaalsContact CG1-CH2 3.46Å; V358-W364 HydrophobicContact CG1-CZ2 3.58Å; W364-V366 PolarHBondContact O-N 3.37Å; W364-Y367 HydrophobicContact CB-CD2 4.36Å; W364-Y367 HydrophobicContact CB-CE1 4.25Å; W364-Y367 HydrophobicContact CB-CE2 3.85Å; W364-Y367 AromaticContact CD1-CE1 3.65Å; W364-Y367 AromaticContact CD1-CZ 3.69Å; W364-Y367 HydrophobicContact CG-CE1 4.32Å; W364-Y367 PolarHBondContact N-OH 3.09Å; W364-Y367 WeakPolarHBondContact O-CE2 3.41Å; W364-G377 VanDerWaalsContact CD1-CA 3.43Å; W364-C378 VanDerWaalsContact CE3-CA 3.43Å; W364-D379 WeakPolarHBondContact CZ3-OD2 3.31Å | ||
| 365 | P | 95.2 | Very high | 80.4 | Confident | 36 Ų | 36 | 52 Ų | 52 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -65 | -23.2 | 178.9 | 27 | -35.3 | 0 | 0 | 0 | 113.3 | Y151 C378 D379 | Y151-P365 HydrophobicContact CD1-CB 4.32Å; Y151-P365 HydrophobicContact CD1-CG 4.38Å; Y151-P365 HydrophobicContact CE1-CB 3.61Å; Y151-P365 HydrophobicContact CE1-CG 4.02Å; Y151-P365 HydrophobicContact CE2-CB 4.17Å; P365-C378 WeakPolarHBondContact CD-O 3.49Å; P365-C378 WeakPolarHBondContact CG-O 3.26Å; P365-D379 WeakPolarHBondContact CD-OD1 3.16Å; P365-D379 HydrophobicContact CG-CB 4.44Å |
| 366 | V | 96.5 | Very high | 82.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 143.4 | 173.3 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | Y151 F333 W364 G377 C378 V381 | Y151-V366 HydrophobicContact CD2-CB 4.03Å; Y151-V366 HydrophobicContact CD2-CG1 4.24Å; Y151-V366 HydrophobicContact CG-CB 4.32Å; Y151-V366 HydrophobicContact CG-CG1 4Å; F333-V366 HydrophobicContact CB-CG2 4.32Å; F333-V366 HydrophobicContact CD1-CG2 4.06Å; W364-V366 PolarHBondContact O-N 3.37Å; V366-G377 WeakPolarHBondContact O-CA 3.16Å; V366-C378 WeakPolarHBondContact CG1-O 3.34Å; V366-C378 PolarHBondContact O-N 2.84Å; V366-V381 HydrophobicContact CG1-CG2 4.4Å |
| 367 | Y | 97.4 | Very high | 84.8 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.1 | 169 | -66.5 | -100.1 | 0 | 0 | 0 | 109.8 | L334 P336 F339 E346 W364 I375 Y376 | L334-Y367 PolarHBondContact N-O 3.33Å; L334-Y367 PolarHBondContact O-N 2.7Å; P336-Y367 HydrophobicContact CB-CE2 4.38Å; F339-Y367 HydrophobicContact CB-CD1 4.31Å; F339-Y367 HydrophobicContact CB-CD2 3.67Å; F339-Y367 HydrophobicContact CB-CE2 4.09Å; F339-Y367 HydrophobicContact CB-CG 3.8Å; F339-Y367 AromaticContact CD1-CD1 3.82Å; F339-Y367 HydrophobicContact CD1-CD1 3.82Å; F339-Y367 HydrophobicContact CD1-CD2 4.09Å; F339-Y367 AromaticContact CD1-CE1 3.47Å; F339-Y367 HydrophobicContact CD1-CE1 3.47Å; F339-Y367 VanDerWaalsContact CD1-CE1 3.47Å; F339-Y367 AromaticContact CD1-CE2 3.79Å; F339-Y367 HydrophobicContact CD1-CE2 3.79Å; F339-Y367 HydrophobicContact CD1-CG 4.12Å; F339-Y367 AromaticContact CD1-CZ 3.45Å; F339-Y367 VanDerWaalsContact CD1-CZ 3.45Å; F339-Y367 AromaticContact CD2-CD1 3.72Å; F339-Y367 HydrophobicContact CD2-CD1 3.72Å; F339-Y367 HydrophobicContact CD2-CE1 4.17Å; F339-Y367 AromaticContact CD2-CG 3.95Å; F339-Y367 HydrophobicContact CD2-CG 3.95Å; F339-Y367 HydrophobicContact CE1-CD1 4.04Å; F339-Y367 AromaticContact CE1-CE1 3.47Å; F339-Y367 HydrophobicContact CE1-CE1 3.47Å; F339-Y367 VanDerWaalsContact CE1-CE1 3.47Å; F339-Y367 AromaticContact CE1-CZ 3.77Å; F339-Y367 AromaticContact CE2-CD1 3.95Å; F339-Y367 HydrophobicContact CE2-CD1 3.95Å; F339-Y367 HydrophobicContact CE2-CE1 4.18Å; F339-Y367 AromaticContact CG-CD1 3.65Å; F339-Y367 HydrophobicContact CG-CD1 3.65Å; F339-Y367 AromaticContact CG-CD2 3.86Å; F339-Y367 HydrophobicContact CG-CD2 3.86Å; F339-Y367 AromaticContact CG-CE1 3.83Å; F339-Y367 HydrophobicContact CG-CE1 3.83Å; F339-Y367 HydrophobicContact CG-CE2 4.05Å; F339-Y367 AromaticContact CG-CG 3.66Å; F339-Y367 HydrophobicContact CG-CG 3.66Å; F339-Y367 HydrophobicContact CZ-CD1 4.1Å; F339-Y367 AromaticContact CZ-CE1 3.85Å; F339-Y367 HydrophobicContact CZ-CE1 3.85Å; E346-Y367 HydrophobicContact CG-CE1 4.49Å; W364-Y367 HydrophobicContact CB-CD2 4.36Å; W364-Y367 HydrophobicContact CB-CE1 4.25Å; W364-Y367 HydrophobicContact CB-CE2 3.85Å; W364-Y367 AromaticContact CD1-CE1 3.65Å; W364-Y367 AromaticContact CD1-CZ 3.69Å; W364-Y367 HydrophobicContact CG-CE1 4.32Å; W364-Y367 PolarHBondContact N-OH 3.09Å; W364-Y367 WeakPolarHBondContact O-CE2 3.41Å; Y367-I375 HydrophobicContact CD1-CG2 4.27Å; Y367-Y376 CarbonylContact C-O 3.51Å; Y367-Y376 WeakPolarHBondContact CA-O 3.49Å |
| 368 | V | 98 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 113 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | V175 I330 F333 L370 I375 Y376 V381 | V175-V368 HydrophobicContact CB-CG2 4.44Å; V175-V368 HydrophobicContact CG2-CB 4.42Å; V175-V368 HydrophobicContact CG2-CG2 4.06Å; I330-V368 HydrophobicContact CB-CG1 4.35Å; I330-V368 HydrophobicContact CD1-CG1 3.58Å; I330-V368 HydrophobicContact CG1-CG1 3.65Å; I330-V368 HydrophobicContact CG2-CG1 4.03Å; F333-V368 HydrophobicContact CD1-CG2 3.97Å; F333-V368 HydrophobicContact CE1-CG1 4.43Å; F333-V368 HydrophobicContact CE1-CG2 3.99Å; V368-L370 HydrophobicContact CG1-CD2 3.9Å; V368-I375 WeakPolarHBondContact O-CA 3.43Å; V368-Y376 PolarHBondContact N-O 3.31Å; V368-Y376 PolarHBondContact O-N 2.88Å; V368-V381 HydrophobicContact CG2-CG2 3.87Å |
| 369 | E | 97.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.4 | 169.4 | -174.7 | -177.8 | -167.8 | 0 | 0 | 109.3 | K331 Q332 L334 R344 I375 | K331-E369 WeakPolarHBondContact CA-O 3.38Å; K331-E369 HydrophobicContact CB-CG 4.43Å; K331-E369 WeakPolarHBondContact CB-O 3.41Å; K331-E369 HydrophobicContact CD-CG 4.13Å; K331-E369 PolarHBondContact N-O 2.65Å; K331-E369 VanDerWaalsContact NZ-CD 3.34Å; K331-E369 IonicContact NZ-OE1 2.63Å; K331-E369 PolarHBondContact NZ-OE1 3.06Å; K331-E369 IonicContact NZ-OE2 3.4Å; K331-E369 PolarHBondContact NZ-OE2 3.11Å; Q332-E369 HydrophobicContact CG-CB 4.01Å; Q332-E369 WeakPolarHBondContact CG-OE2 3.29Å; Q332-E369 PolarHBondContact N-O 3.14Å; Q332-E369 PolarHBondContact NE2-OE2 2.95Å; Q332-E369 PolarHBondContact O-N 3.2Å; L334-E369 HydrophobicContact CD1-CB 4.35Å; R344-E369 IonicContact NH1-OE1 2.87Å; R344-E369 PolarHBondContact NH1-OE1 3.08Å; E369-I375 HydrophobicContact CB-CG1 4.1Å; E369-I375 HydrophobicContact CG-CD1 4.48Å; E369-I375 HydrophobicContact CG-CG1 3.95Å |
| 370 | L | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 160.5 | 176.5 | -58.2 | -171.9 | 0 | 0 | 0 | 111.5 | V198 V325 T328 K329 I330 V368 N372 G373 E374 Y376 | V198-L370 HydrophobicContact CG1-CD1 4.28Å; V198-L370 HydrophobicContact CG1-CD2 3.84Å; V198-L370 HydrophobicContact CG2-CD1 3.95Å; V198-L370 HydrophobicContact CG2-CD2 4.02Å; V325-L370 HydrophobicContact CB-CD1 4.41Å; V325-L370 HydrophobicContact CG1-CD1 4.02Å; T328-L370 HydrophobicContact CG2-CD1 4.1Å; K329-L370 CarbonylContact O-C 3.55Å; K329-L370 VanDerWaalsContact O-CA 3.27Å; K329-L370 WeakPolarHBondContact O-CA 3.28Å; I330-L370 HydrophobicContact CG1-CD2 4.13Å; V368-L370 HydrophobicContact CG1-CD2 3.9Å; L370-N372 WeakPolarHBondContact CB-OD1 3.21Å; L370-N372 PolarHBondContact O-N 2.52Å; L370-G373 PolarHBondContact O-N 3.3Å; L370-E374 HydrophobicContact CD1-CB 4.41Å; L370-E374 PolarHBondContact N-O 3.04Å; L370-Y376 HydrophobicContact CD1-CD2 3.89Å; L370-Y376 HydrophobicContact CD1-CE2 3.64Å; L370-Y376 HydrophobicContact CG-CD2 4.31Å; L370-Y376 HydrophobicContact CG-CE2 4.44Å |
| 371 | T | 98.1 | Very high | 92.8 | Very high | 78 Ų | 78 | 30.3 Ų | 30.3 | 48% | 0.479 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.8 | -179.3 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | T328 K329 K331 G373 | T328-T371 PolarHBondContact OG1-OG1 3.03Å; T328-T371 VanDerWaalsContact OG1-OG1 3.13Å; K329-T371 HydrophobicContact CB-CG2 3.92Å; K329-T371 PolarHBondContact N-OG1 3.47Å; K329-T371 PolarHBondContact O-N 2.97Å; K329-T371 PolarHBondContact O-OG1 3.49Å; K331-T371 HydrophobicContact CB-CG2 4.11Å; T371-G373 PolarHBondContact O-N 3.41Å |
| 372 | N | 96.7 | Very high | 94.9 | Very high | 77 Ų | 77 | 25.1 Ų | 25.1 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.4 | 171.6 | 68 | -9.7 | 0 | 0 | 0 | 113.1 | L370 E374 | L370-N372 WeakPolarHBondContact CB-OD1 3.21Å; L370-N372 PolarHBondContact O-N 2.52Å; N372-E374 PolarHBondContact ND2-OE2 2.9Å; N372-E374 WeakPolarHBondContact OD1-CB 3.41Å; N372-E374 PolarHBondContact OD1-N 2.86Å; N372-E374 VanDerWaalsContact OD1-N 3.14Å |
| 373 | G | 95.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 19.6 Ų | 19.6 | 23% | 0.227 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 87.2 | -6.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R344 L370 T371 | R344-G373 PolarHBondContact NH2-O 3.42Å; L370-G373 PolarHBondContact O-N 3.3Å; T371-G373 PolarHBondContact O-N 3.41Å |
| 374 | E | 97.1 | Very high | 96.6 | Very high | 55 Ų | 55 | 15.7 Ų | 15.7 | 26% | 0.257 | 9% | 0.092 | S | C | . | . | trans | -66.4 | 145.1 | 173.3 | -64.5 | -178.9 | 163.9 | 0 | 0 | 110.8 | V325 T347 L370 N372 Y376 | V325-E374 VanDerWaalsContact CG1-OE2 3.31Å; V325-E374 WeakPolarHBondContact CG1-OE2 3.24Å; T347-E374 HydrophobicContact CG2-CB 4.17Å; T347-E374 HydrophobicContact CG2-CG 4.1Å; L370-E374 HydrophobicContact CD1-CB 4.41Å; L370-E374 PolarHBondContact N-O 3.04Å; N372-E374 PolarHBondContact ND2-OE2 2.9Å; N372-E374 WeakPolarHBondContact OD1-CB 3.41Å; N372-E374 PolarHBondContact OD1-N 2.86Å; N372-E374 VanDerWaalsContact OD1-N 3.14Å; E374-Y376 HydrophobicContact CB-CD2 4.42Å; E374-Y376 HydrophobicContact CB-CE2 3.68Å; E374-Y376 VanDerWaalsContact CD-OH 3.23Å; E374-Y376 WeakPolarHBondContact OE2-CE2 3.13Å; E374-Y376 PolarHBondContact OE2-OH 3.36Å | ||
| 375 | I | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 119 | 178.4 | -58.5 | 176.6 | 0 | 0 | 0 | 109 | F339 R344 T347 Y367 V368 E369 | F339-I375 HydrophobicContact CD2-CG2 3.91Å; F339-I375 HydrophobicContact CE2-CD1 4.42Å; F339-I375 HydrophobicContact CE2-CG2 3.81Å; R344-I375 HydrophobicContact CB-CD1 4.12Å; T347-I375 WeakPolarHBondContact CB-O 3.22Å; T347-I375 PolarHBondContact N-O 2.76Å; T347-I375 PolarHBondContact OG1-N 3.43Å; T347-I375 PolarHBondContact OG1-O 2.9Å; Y367-I375 HydrophobicContact CD1-CG2 4.27Å; V368-I375 WeakPolarHBondContact O-CA 3.43Å; E369-I375 HydrophobicContact CB-CG1 4.1Å; E369-I375 HydrophobicContact CG-CD1 4.48Å; E369-I375 HydrophobicContact CG-CG1 3.95Å |
| 376 | Y | 96.1 | Very high | 96.3 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.4 | 178.9 | -63.7 | -78.1 | 0 | 0 | 0 | 110.8 | I196 V325 T347 P349 Y367 V368 L370 E374 | I196-Y376 HydrophobicContact CG1-CD1 4.23Å; I196-Y376 HydrophobicContact CG1-CG 4.43Å; I196-Y376 HydrophobicContact CG2-CD1 4.31Å; I196-Y376 HydrophobicContact CG2-CD2 3.95Å; I196-Y376 HydrophobicContact CG2-CE1 4.3Å; I196-Y376 HydrophobicContact CG2-CE2 3.93Å; I196-Y376 HydrophobicContact CG2-CG 4.13Å; V325-Y376 HydrophobicContact CG2-CE2 4.18Å; T347-Y376 HydrophobicContact CG2-CD1 4.45Å; T347-Y376 HydrophobicContact CG2-CE1 3.61Å; T347-Y376 HydrophobicContact CG2-CE2 4.5Å; T347-Y376 WeakPolarHBondContact O-CD1 3.06Å; T347-Y376 WeakPolarHBondContact O-CE1 3.41Å; P349-Y376 HydrophobicContact CB-CD1 4.31Å; P349-Y376 HydrophobicContact CB-CE1 3.82Å; P349-Y376 HydrophobicContact CG-CD1 4.31Å; P349-Y376 HydrophobicContact CG-CE1 4.28Å; Y367-Y376 CarbonylContact C-O 3.51Å; Y367-Y376 WeakPolarHBondContact CA-O 3.49Å; V368-Y376 PolarHBondContact N-O 3.31Å; V368-Y376 PolarHBondContact O-N 2.88Å; L370-Y376 HydrophobicContact CD1-CD2 3.89Å; L370-Y376 HydrophobicContact CD1-CE2 3.64Å; L370-Y376 HydrophobicContact CG-CD2 4.31Å; L370-Y376 HydrophobicContact CG-CE2 4.44Å; E374-Y376 HydrophobicContact CB-CD2 4.42Å; E374-Y376 HydrophobicContact CB-CE2 3.68Å; E374-Y376 VanDerWaalsContact CD-OH 3.23Å; E374-Y376 WeakPolarHBondContact OE2-CE2 3.13Å; E374-Y376 PolarHBondContact OE2-OH 3.36Å |
| 377 | G | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 139.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R173 W364 V366 | R173-G377 VanDerWaalsContact CD-O 3.26Å; R173-G377 WeakPolarHBondContact CD-O 3.37Å; R173-G377 PolarHBondContact NH1-O 3.19Å; W364-G377 VanDerWaalsContact CD1-CA 3.43Å; V366-G377 WeakPolarHBondContact O-CA 3.16Å |
| 378 | C | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 165.2 | -179 | 63.7 | 0 | 0 | 0 | 0 | 112.8 | R173 V175 W364 P365 V366 | R173-C378 HydrophobicContact CB-CB 4.4Å; R173-C378 HydrophobicContact CG-CB 4.34Å; R173-C378 WeakPolarHBondContact O-CB 3.49Å; V175-C378 HydrophobicContact CG2-CB 3.94Å; W364-C378 VanDerWaalsContact CE3-CA 3.43Å; P365-C378 WeakPolarHBondContact CD-O 3.49Å; P365-C378 WeakPolarHBondContact CG-O 3.26Å; V366-C378 WeakPolarHBondContact CG1-O 3.34Å; V366-C378 PolarHBondContact O-N 2.84Å |
| 379 | D | 95.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 20.1 Ų | 20.1 | 13% | 0.134 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -92.7 | -18.2 | 175.9 | -57 | -55.9 | 0 | 0 | 0 | 112.8 | T171 R172 R173 W364 P365 | T171-D379 HydrophobicContact CG2-CB 4.25Å; R172-D379 WeakPolarHBondContact CA-OD2 3.5Å; R172-D379 WeakPolarHBondContact CB-OD2 3.31Å; R172-D379 WeakPolarHBondContact CG-OD2 3.4Å; R172-D379 IonicContact CZ-OD1 2.8Å; R172-D379 IonicContact CZ-OD2 3.72Å; R172-D379 PolarHBondContact N-OD2 3.41Å; R172-D379 IonicContact NE-OD1 2.65Å; R172-D379 PolarHBondContact NE-OD1 2.96Å; R172-D379 IonicContact NE-OD2 3.38Å; R172-D379 PolarHBondContact NE-OD2 3.07Å; R172-D379 IonicContact NH2-OD1 3.29Å; R172-D379 PolarHBondContact NH2-OD1 3.44Å; R172-D379 IonicContact NH2-OD2 2.79Å; R173-D379 PolarHBondContact N-OD2 3.37Å; R173-D379 PolarHBondContact O-N 2.82Å; W364-D379 WeakPolarHBondContact CZ3-OD2 3.31Å; P365-D379 WeakPolarHBondContact CD-OD1 3.16Å; P365-D379 HydrophobicContact CG-CB 4.44Å |
| 380 | L | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 143 | -175.4 | -173.7 | 63.4 | 0 | 0 | 0 | 111.8 | I153 F164 R167 T171 M174 V175 V382 | I153-L380 HydrophobicContact CD1-CD1 3.93Å; I153-L380 HydrophobicContact CD1-CD2 3.83Å; I153-L380 HydrophobicContact CD1-CG 4.23Å; I153-L380 HydrophobicContact CG1-CD1 3.94Å; I153-L380 HydrophobicContact CG1-CD2 4.49Å; I153-L380 HydrophobicContact CG1-CG 4.38Å; I153-L380 HydrophobicContact CG2-CD1 4.03Å; F164-L380 HydrophobicContact CD2-CD2 4.1Å; F164-L380 HydrophobicContact CE2-CD2 4.03Å; R167-L380 HydrophobicContact CB-CD1 4.38Å; R167-L380 HydrophobicContact CB-CD2 4.13Å; T171-L380 HydrophobicContact CG2-CB 4.15Å; M174-L380 CarbonylContact C-O 3.59Å; M174-L380 VanDerWaalsContact CA-O 3.26Å; M174-L380 WeakPolarHBondContact CA-O 3.43Å; M174-L380 HydrophobicContact CE-CD2 3.88Å; M174-L380 HydrophobicContact CG-CB 4.49Å; V175-L380 PolarHBondContact N-O 2.75Å; L380-V382 HydrophobicContact CD2-CG2 4.28Å; L380-V382 HydrophobicContact CG-CG2 4.41Å |
| 381 | V | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 120.7 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | Y151 V152 I153 V175 V177 I330 F333 V366 V368 | Y151-V381 PolarHBondContact O-N 2.84Å; V152-V381 CarbonylContact C-O 3.53Å; V152-V381 WeakPolarHBondContact CA-O 3.13Å; V152-V381 HydrophobicContact CG2-CB 4.02Å; V152-V381 HydrophobicContact CG2-CG1 4.21Å; I153-V381 PolarHBondContact N-O 2.96Å; V175-V381 HydrophobicContact CB-CG1 4.43Å; V175-V381 HydrophobicContact CB-CG2 4.35Å; V175-V381 HydrophobicContact CG1-CG1 4.48Å; V175-V381 CarbonylContact O-C 3.58Å; V175-V381 VanDerWaalsContact O-CA 3.27Å; V175-V381 WeakPolarHBondContact O-CA 3.48Å; V177-V381 HydrophobicContact CG2-CG1 4.2Å; I330-V381 HydrophobicContact CD1-CG1 4.17Å; F333-V381 HydrophobicContact CE1-CB 4.41Å; F333-V381 HydrophobicContact CE1-CG1 4.07Å; F333-V381 HydrophobicContact CE1-CG2 3.97Å; F333-V381 HydrophobicContact CZ-CG1 4.36Å; V366-V381 HydrophobicContact CG1-CG2 4.4Å; V368-V381 HydrophobicContact CG2-CG2 3.87Å |
| 382 | V | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 114 | 175.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | I153 F164 M174 V175 L176 V177 I186 L380 A384 | I153-V382 HydrophobicContact CD1-CG2 4.04Å; I153-V382 HydrophobicContact CG1-CG2 3.95Å; F164-V382 HydrophobicContact CD2-CG2 4.4Å; F164-V382 HydrophobicContact CE2-CG2 3.76Å; F164-V382 HydrophobicContact CZ-CG2 4.46Å; M174-V382 HydrophobicContact CE-CG2 4.11Å; M174-V382 HydrophobicContact CG-CG2 4.03Å; M174-V382 HydrophobicContact SD-CB 4.21Å; M174-V382 HydrophobicContact SD-CG2 3.4Å; M174-V382 WeakPolarHBondContact SD-CG2 3.49Å; V175-V382 PolarHBondContact O-N 2.86Å; L176-V382 HydrophobicContact CD1-CB 3.82Å; L176-V382 HydrophobicContact CD1-CG1 3.82Å; V177-V382 PolarHBondContact N-O 3.47Å; I186-V382 HydrophobicContact CD1-CG1 3.7Å; L380-V382 HydrophobicContact CD2-CG2 4.28Å; L380-V382 HydrophobicContact CG-CG2 4.41Å; V382-A384 PolarHBondContact O-N 2.9Å |
| 383 | S | 96.5 | Very high | 91.9 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 97.6 | 175.4 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | R143 L144 I145 I153 | R143-S383 PolarHBondContact O-OG 3.29Å; L144-S383 WeakPolarHBondContact CA-OG 3.33Å; I145-S383 WeakPolarHBondContact CG1-OG 3.43Å; I145-S383 PolarHBondContact N-OG 2.91Å; I145-S383 VanDerWaalsContact N-OG 3.11Å; I153-S383 PolarHBondContact O-N 3.29Å |
| 384 | A | 95 | Very high | 90 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 6% | 0.058 | 12% | 0.117 | C | C | . | . | trans | -114.2 | 42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L176 V177 I182 A183 V382 G386 | L176-A384 HydrophobicContact CD1-CB 4.21Å; V177-A384 CarbonylContact O-C 3.47Å; V177-A384 VanDerWaalsContact O-C 3.3Å; V177-A384 VanDerWaalsContact O-CA 3.31Å; V177-A384 WeakPolarHBondContact O-CA 3.32Å; V177-A384 PolarHBondContact O-N 3.4Å; I182-A384 HydrophobicContact CB-CB 4.09Å; I182-A384 HydrophobicContact CG2-CB 3.98Å; A183-A384 HydrophobicContact CB-CB 3.85Å; V382-A384 PolarHBondContact O-N 2.9Å; A384-G386 VanDerWaalsContact C-N 3.31Å; A384-G386 PolarHBondContact O-N 2.77Å | ||
| 385 | V | 92.3 | Very high | 87.6 | Confident | 42 Ų | 42 | 23.1 Ų | 23.1 | 26% | 0.255 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -90.2 | 15.7 | -173.9 | -59.8 | 0 | 0 | 0 | 0 | 114.4 | R143 I145 V177 | R143-V385 HydrophobicContact CB-CG2 4.22Å; R143-V385 HydrophobicContact CG-CG2 4.3Å; R143-V385 WeakPolarHBondContact O-CG2 3.38Å; I145-V385 HydrophobicContact CD1-CG1 4.08Å; I145-V385 HydrophobicContact CG1-CG1 4.22Å; I145-V385 HydrophobicContact CG1-CG2 4.29Å; V177-V385 HydrophobicContact CB-CG1 4.36Å; V177-V385 HydrophobicContact CG1-CG1 3.91Å |
| 386 | G | 89.9 | Confident | 85.1 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 21% | 0.206 | 15% | 0.153 | C | C | . | . | trans | 110.1 | -176.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | R143 A384 | R143-G386 PolarHBondContact N-O 3.08Å; A384-G386 VanDerWaalsContact C-N 3.31Å; A384-G386 PolarHBondContact O-N 2.77Å | ||
| 387 | V | 89.7 | Confident | 82.3 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 150.4 | -177.8 | -46.6 | 0 | 0 | 0 | 0 | 111.5 | V141 A297 K476 | V141-V387 CarbonylContact O-C 3.21Å; V141-V387 VanDerWaalsContact O-CA 3.23Å; V141-V387 WeakPolarHBondContact O-CA 3.24Å; V141-V387 WeakPolarHBondContact O-CB 3.4Å; A297-V387 HydrophobicContact CB-CB 4.12Å; A297-V387 HydrophobicContact CB-CG1 3.93Å; A297-V387 HydrophobicContact CB-CG2 3.36Å; V387-K476 HydrophobicContact CG2-CB 4.06Å; V387-K476 HydrophobicContact CG2-CD 3.42Å; V387-K476 VanDerWaalsContact CG2-CD 3.42Å; V387-K476 HydrophobicContact CG2-CG 4.36Å; V387-K476 PolarHBondContact O-NZ 2.83Å |
| 388 | E | 89.6 | Confident | 79.1 | Confident | 62 Ų | 62 | 40.3 Ų | 40.3 | 29% | 0.29 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 160.3 | 174.1 | 61.5 | -173.8 | -156.6 | 0 | 0 | 111.2 | G140 V141 N390 M436 K476 | G140-E388 CarbonylContact C-O 3.52Å; G140-E388 WeakPolarHBondContact CA-O 3.49Å; V141-E388 HydrophobicContact CG2-CG 3.6Å; V141-E388 PolarHBondContact N-O 2.83Å; V141-E388 PolarHBondContact O-N 2.96Å; E388-N390 PolarHBondContact O-N 2.83Å; E388-M436 HydrophobicContact CB-CE 4.31Å; E388-M436 WeakPolarHBondContact OE2-CE 3.4Å; E388-K476 VanDerWaalsContact CA-NZ 3.32Å |
| 389 | A | 92.8 | Very high | 75.9 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 132.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L391 G439 G441 D460 | A389-L391 HydrophobicContact CB-CD1 3.86Å; A389-L391 HydrophobicContact CB-CD2 4.27Å; A389-L391 HydrophobicContact CB-CG 3.89Å; A389-L391 PolarHBondContact O-N 2.94Å; A389-L391 VanDerWaalsContact O-N 3.08Å; A389-G439 PolarHBondContact N-O 2.97Å; A389-G441 VanDerWaalsContact CB-CA 3.48Å; A389-D460 WeakPolarHBondContact CA-O 3.4Å; A389-D460 WeakPolarHBondContact CB-O 2.9Å |
| 390 | N | 91.1 | Very high | 72.6 | Confident | 24 Ų | 24 | 50 Ų | 50 | 13% | 0.128 | 27% | 0.274 | C | S | . | . | trans | -82.4 | 87.3 | -179.6 | -175 | 12.4 | 0 | 0 | 0 | 111.5 | T138 G139 V141 E388 | T138-N390 WeakPolarHBondContact CB-O 3.47Å; T138-N390 WeakPolarHBondContact O-CB 3.38Å; T138-N390 PolarHBondContact O-ND2 3.49Å; T138-N390 PolarHBondContact OG1-O 3.46Å; G139-N390 WeakPolarHBondContact O-CB 3.41Å; G139-N390 PolarHBondContact O-N 3.2Å; V141-N390 HydrophobicContact CG1-CB 3.91Å; E388-N390 PolarHBondContact O-N 2.83Å | ||
| 391 | L | 88.1 | Confident | 69.2 | Low | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | trans | -106.4 | 2.3 | -174.6 | -53.8 | 176.7 | 0 | 0 | 0 | 113.3 | A389 L427 N428 L442 C461 | A389-L391 HydrophobicContact CB-CD1 3.86Å; A389-L391 HydrophobicContact CB-CD2 4.27Å; A389-L391 HydrophobicContact CB-CG 3.89Å; A389-L391 PolarHBondContact O-N 2.94Å; A389-L391 VanDerWaalsContact O-N 3.08Å; L391-L427 HydrophobicContact CB-CB 4.26Å; L391-L427 WeakPolarHBondContact O-CB 3.35Å; L391-L427 PolarHBondContact O-N 3.04Å; L391-L427 VanDerWaalsContact O-N 3.09Å; L391-N428 WeakPolarHBondContact CB-OD1 3.33Å; L391-N428 WeakPolarHBondContact CD1-OD1 3.31Å; L391-N428 WeakPolarHBondContact CG-OD1 3.03Å; L391-L442 HydrophobicContact CD1-CD2 4.42Å; L391-L442 HydrophobicContact CD2-CD1 4.26Å; L391-L442 HydrophobicContact CD2-CD2 3.76Å; L391-L442 HydrophobicContact CD2-CG 3.64Å; L391-C461 HydrophobicContact CD2-CB 4.23Å | ||
| 392 | K | 79.6 | Confident | 65.8 | Low | 100 Ų | 100 | 61.8 Ų | 61.8 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | trans | -130.5 | 75.3 | 179.7 | -64.2 | -178.5 | -175.7 | 177.4 | 0 | 111.1 | L394 N395 | K392-L394 PolarHBondContact O-N 3.29Å; K392-N395 PolarHBondContact O-N 3.37Å | ||
| 393 | P | 59.3 | Low | 62.3 | Low | 25 Ų | 25 | 69 Ų | 69 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.1 | -174.7 | 21 | -30.7 | 0 | 0 | 0 | 114.3 | M108 | M108-P393 HydrophobicContact CE-CG 4.2Š|
| 394 | L | 56.8 | Low | 58.9 | Low | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -22.4 | -175.2 | -129 | 112.3 | 0 | 0 | 0 | 116.1 | I109 K392 R396 I421 | I109-L394 HydrophobicContact CB-CD1 3.49Å; I109-L394 VanDerWaalsContact CB-CD1 3.49Å; I109-L394 HydrophobicContact CG2-CD1 3.48Å; I109-L394 VanDerWaalsContact CG2-CD1 3.48Å; K392-L394 PolarHBondContact O-N 3.29Å; L394-R396 PolarHBondContact O-N 2.67Å; L394-I421 HydrophobicContact CD2-CG1 4.34Å |
| 395 | N | 46.7 | Very low | 55.5 | Low | 87 Ų | 87 | 80 Ų | 80 | 47% | 0.465 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | 2.8 | -165.7 | -95 | 10.3 | 0 | 0 | 0 | 115 | K392 | K392-N395 PolarHBondContact O-N 3.37Š|
| 396 | R | 45 | Very low | 52.4 | Low | 146 Ų | 146 | 86 Ų | 86 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -21 | -179.9 | -68.8 | -166.4 | 177 | -158.7 | -1.3 | 114.9 | D157 L394 | D157-R396 IonicContact OD2-CZ 2.9Å; D157-R396 IonicContact OD2-NH1 3.8Å; D157-R396 PolarHBondContact OD2-NH1 2.91Å; D157-R396 IonicContact OD2-NH2 3.59Å; D157-R396 PolarHBondContact OD2-NH2 3.18Å; L394-R396 PolarHBondContact O-N 2.67Å |
| 397 | L | 36.8 | Very low | 49.2 | Very low | 115 Ų | 115 | 92.8 Ų | 92.8 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -96.8 | -10.9 | -170.9 | -84.4 | 162.8 | 0 | 0 | 0 | 115.7 | S399 | L397-S399 VanDerWaalsContact C-N 3.27Å; L397-S399 PolarHBondContact O-N 2.95Å |
| 398 | S | 28.4 | Very low | 46.3 | Very low | 103 Ų | 103 | 99.4 Ų | 99.4 | 72% | 0.72 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.5 | 179.8 | 48.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 399 | S | 29.5 | Very low | 43.2 | Very low | 89 Ų | 89 | 100.3 Ų | 100.3 | 62% | 0.622 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -8.4 | -177.4 | 62.4 | 0 | 0 | 0 | 0 | 116.6 | L397 | L397-S399 VanDerWaalsContact C-N 3.27Å; L397-S399 PolarHBondContact O-N 2.95Å |
| 400 | N | 25.6 | Very low | 40 | Very low | 138 Ų | 138 | 107 Ų | 107 | 74% | 0.738 | 60% | 0.598 | S | S | * | * | trans | -126.6 | 32.6 | -173.4 | -73.9 | -5.8 | 0 | 0 | 0 | 114.7 | D402 | N400-D402 PolarHBondContact O-N 2.62Š| ||
| 401 | V | 26.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -94.6 | 82.4 | 159.9 | -173.1 | 0 | 0 | 0 | 0 | 107.1 | N403 | V401-N403 PolarHBondContact O-N 3.21Å; V401-N403 VanDerWaalsContact O-N 3.09Å | ||
| 402 | D | 25.3 | Very low | 33.7 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -54.1 | 113.8 | 159.6 | -79.9 | -36.8 | 0 | 0 | 0 | 107.2 | N400 T404 | N400-D402 PolarHBondContact O-N 2.62Å; D402-T404 HydrophobicContact CB-CG2 4.42Å; D402-T404 PolarHBondContact O-N 3.34Å | ||
| 403 | N | 23.6 | Very low | 31 | Very low | 150 Ų | 150 | 120.4 Ų | 120.4 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | trans | -65.9 | 66.1 | 166.5 | -80.6 | -30.9 | 0 | 0 | 0 | 108.9 | V401 T405 | V401-N403 PolarHBondContact O-N 3.21Å; V401-N403 VanDerWaalsContact O-N 3.09Å; N403-T405 PolarHBondContact O-N 3.06Å | ||
| 404 | T | 25.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | trans | -87.4 | 90.8 | 163.2 | 44.9 | 0 | 0 | 0 | 0 | 106.5 | D402 H406 | D402-T404 HydrophobicContact CB-CG2 4.42Å; D402-T404 PolarHBondContact O-N 3.34Å; T404-H406 VanDerWaalsContact C-N 3.33Å; T404-H406 PolarHBondContact O-N 3.05Å | ||
| 405 | T | 23.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 73% | 0.728 | S | S | * | * | trans | -57 | 90.3 | 171.2 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | N403 | N403-T405 PolarHBondContact O-N 3.06Š| ||
| 406 | H | 27 | Very low | 27 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | trans | -97.4 | 103.6 | 158 | -96 | -76.4 | 0 | 0 | 0 | 108.5 | T404 D408 | T404-H406 VanDerWaalsContact C-N 3.33Å; T404-H406 PolarHBondContact O-N 3.05Å; H406-D408 PolarHBondContact O-N 3.14Å | ||
| 407 | N | 23.4 | Very low | 26.1 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -57.7 | 97.5 | 167.4 | -107.6 | -12.9 | 0 | 0 | 0 | 109 | ||||
| 408 | D | 28.9 | Very low | 25.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | -129.1 | 113.4 | 158.7 | -85.9 | -36.4 | 0 | 0 | 0 | 108.7 | H406 N410 | H406-D408 PolarHBondContact O-N 3.14Å; D408-N410 PolarHBondContact O-N 3.02Å; D408-N410 VanDerWaalsContact O-N 3.13Å | ||
| 409 | G | 23.4 | Very low | 26.1 | Very low | 82 Ų | 82 | 131.9 Ų | 131.9 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 106.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 410 | N | 26 | Very low | 26.3 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | trans | -153.6 | 93.8 | 149.7 | -140.2 | -1.8 | 0 | 0 | 0 | 109.9 | D408 N412 | D408-N410 PolarHBondContact O-N 3.02Å; D408-N410 VanDerWaalsContact O-N 3.13Å; N410-N412 PolarHBondContact O-N 3.26Å | ||
| 411 | T | 23.1 | Very low | 27.1 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | -72.7 | 83.3 | -180 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 412 | N | 25 | Very low | 27.9 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | trans | -112.1 | 85.9 | 153.3 | -85.8 | -23 | 0 | 0 | 0 | 107.4 | N410 I414 | N410-N412 PolarHBondContact O-N 3.26Å; N412-I414 PolarHBondContact O-N 3.14Å | ||
| 413 | N | 22.9 | Very low | 28.9 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | -62.3 | 76.7 | 168.8 | -92.5 | -17.8 | 0 | 0 | 0 | 109.4 | N415 | N413-N415 PolarHBondContact O-N 2.98Š| ||
| 414 | I | 25.3 | Very low | 30.2 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | trans | -69.8 | 108.2 | 152.6 | -65.1 | 174.7 | 0 | 0 | 0 | 103.9 | N412 N416 | N412-I414 PolarHBondContact O-N 3.14Å; I414-N416 PolarHBondContact O-N 3.09Å | ||
| 415 | N | 24.4 | Very low | 31.7 | Very low | 135 Ų | 135 | 123 Ų | 123 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | -54.8 | 81 | 168.3 | -76.8 | -35.1 | 0 | 0 | 0 | 109 | N413 K417 | N413-N415 PolarHBondContact O-N 2.98Å; N415-K417 PolarHBondContact O-N 3.45Å | ||
| 416 | N | 27.5 | Very low | 34.2 | Very low | 154 Ų | 154 | 118.6 Ų | 118.6 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | trans | -67.6 | 78.4 | 150.5 | -104.5 | -3.5 | 0 | 0 | 0 | 104.9 | I414 G418 | I414-N416 PolarHBondContact O-N 3.09Å; N416-G418 PolarHBondContact O-N 3.5Å | ||
| 417 | K | 26.8 | Very low | 36.9 | Very low | 172 Ų | 172 | 110.7 Ų | 110.7 | 75% | 0.748 | 62% | 0.62 | S | S | * | * | trans | -52.1 | 104 | 155.7 | -79.1 | -172.8 | 174.3 | -175 | 0 | 103.9 | N415 T419 | N415-K417 PolarHBondContact O-N 3.45Å; K417-T419 VanDerWaalsContact C-N 3.28Å; K417-T419 PolarHBondContact O-N 2.87Å; K417-T419 PolarHBondContact O-OG1 3.5Å | ||
| 418 | G | 29.7 | Very low | 39.7 | Very low | 67 Ų | 67 | 106.1 Ų | 106.1 | 69% | 0.691 | 60% | 0.596 | S | S | * | * | trans | -45.4 | 106.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 104.9 | N416 E420 | N416-G418 PolarHBondContact O-N 3.5Å; G418-E420 VanDerWaalsContact C-N 3.28Å; G418-E420 PolarHBondContact O-N 3.08Å | ||
| 419 | T | 35.4 | Very low | 42.4 | Very low | 100 Ų | 100 | 102.2 Ų | 102.2 | 61% | 0.613 | 58% | 0.584 | S | S | * | * | trans | -68.3 | 103.4 | -175.4 | -40.3 | 0 | 0 | 0 | 0 | 102.5 | Y125 K417 I421 | Y125-T419 HydrophobicContact CE2-CG2 4.33Å; K417-T419 VanDerWaalsContact C-N 3.28Å; K417-T419 PolarHBondContact O-N 2.87Å; K417-T419 PolarHBondContact O-OG1 3.5Å; T419-I421 PolarHBondContact O-N 2.93Å; T419-I421 VanDerWaalsContact O-N 3.11Å | ||
| 420 | E | 33.9 | Very low | 45.5 | Very low | 172 Ų | 172 | 100.4 Ų | 100.4 | 80% | 0.804 | 56% | 0.555 | S | S | * | * | trans | -44.5 | 126.3 | 174.8 | -77.7 | 177.3 | 157.2 | 0 | 0 | 106.3 | G418 T422 | G418-E420 VanDerWaalsContact C-N 3.28Å; G418-E420 PolarHBondContact O-N 3.08Å; E420-T422 PolarHBondContact O-N 3.35Å | ||
| 421 | I | 41.8 | Very low | 48.8 | Very low | 100 Ų | 100 | 93.8 Ų | 93.8 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | trans | -60.6 | 86.9 | 176.1 | -62.4 | 174.3 | 0 | 0 | 0 | 105.2 | L394 T419 S425 | L394-I421 HydrophobicContact CD2-CG1 4.34Å; T419-I421 PolarHBondContact O-N 2.93Å; T419-I421 VanDerWaalsContact O-N 3.11Å; I421-S425 WeakPolarHBondContact CG2-OG 3.17Å | ||
| 422 | T | 42.6 | Very low | 52.2 | Low | 66 Ų | 66 | 96.5 Ų | 96.5 | 41% | 0.405 | 52% | 0.515 | S | S | . | . | trans | -61.2 | 146.2 | -179.5 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | E420 S424 S425 | E420-T422 PolarHBondContact O-N 3.35Å; T422-S424 PolarHBondContact O-N 3.05Å; T422-S424 PolarHBondContact OG1-OG 3.42Å; T422-S425 WeakPolarHBondContact O-CB 3.39Å; T422-S425 PolarHBondContact O-N 2.73Å; T422-S425 PolarHBondContact O-OG 2.88Å | ||
| 423 | E | 48 | Very low | 55.5 | Low | 166 Ų | 166 | 91.7 Ų | 91.7 | 78% | 0.776 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -48.6 | -27.7 | 176.9 | -69.8 | 178.6 | 152.1 | 0 | 0 | 112.6 | S425 N426 | E423-S425 PolarHBondContact O-N 2.82Å; E423-S425 VanDerWaalsContact O-N 3.15Å; E423-N426 PolarHBondContact O-N 3.39Å; E423-N426 VanDerWaalsContact O-N 3.08Å |
| 424 | S | 49.9 | Very low | 58.9 | Low | 32 Ų | 32 | 85 Ų | 85 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -63.1 | -13 | 175.4 | 75.3 | 0 | 0 | 0 | 0 | 116.1 | K110 T422 | K110-S424 WeakPolarHBondContact CE-OG 3.31Å; T422-S424 PolarHBondContact O-N 3.05Å; T422-S424 PolarHBondContact OG1-OG 3.42Å |
| 425 | S | 57.8 | Low | 61.9 | Low | 15 Ų | 15 | 81.4 Ų | 81.4 | 11% | 0.105 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -85.2 | -15.4 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 113.2 | I109 I421 T422 E423 | I109-S425 WeakPolarHBondContact O-CB 3.19Å; I421-S425 WeakPolarHBondContact CG2-OG 3.17Å; T422-S425 WeakPolarHBondContact O-CB 3.39Å; T422-S425 PolarHBondContact O-N 2.73Å; T422-S425 PolarHBondContact O-OG 2.88Å; E423-S425 PolarHBondContact O-N 2.82Å; E423-S425 VanDerWaalsContact O-N 3.15Å |
| 426 | N | 75.5 | Confident | 64.8 | Low | 41 Ų | 41 | 80 Ų | 80 | 22% | 0.219 | 43% | 0.433 | C | S | . | . | trans | -95.1 | 113.9 | -179.7 | -174.8 | 3.8 | 0 | 0 | 0 | 109.8 | E423 N428 A429 | E423-N426 PolarHBondContact O-N 3.39Å; E423-N426 VanDerWaalsContact O-N 3.08Å; N426-N428 PolarHBondContact O-N 3.07Å; N426-N428 VanDerWaalsContact O-N 3.14Å; N426-N428 PolarHBondContact OD1-N 3.02Å; N426-A429 WeakPolarHBondContact O-CB 3.41Å; N426-A429 PolarHBondContact O-N 2.61Å | ||
| 427 | L | 83.1 | Confident | 67.3 | Low | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.1 | -29.5 | -178.2 | -62.8 | 173.4 | 0 | 0 | 0 | 111.5 | M108 L111 L136 L391 A429 L430 F431 L442 | M108-L427 HydrophobicContact CE-CD1 4.29Å; M108-L427 HydrophobicContact CE-CD2 3.99Å; L111-L427 HydrophobicContact CB-CD2 4.47Å; L111-L427 HydrophobicContact CD2-CD2 4.12Å; L136-L427 HydrophobicContact CD1-CD1 4.28Å; L136-L427 HydrophobicContact CD1-CD2 4.21Å; L391-L427 HydrophobicContact CB-CB 4.26Å; L391-L427 WeakPolarHBondContact O-CB 3.35Å; L391-L427 PolarHBondContact O-N 3.04Å; L391-L427 VanDerWaalsContact O-N 3.09Å; L427-A429 PolarHBondContact O-N 3.03Å; L427-A429 VanDerWaalsContact O-N 3.14Å; L427-L430 PolarHBondContact O-N 2.91Å; L427-F431 HydrophobicContact CB-CD2 4.2Å; L427-F431 HydrophobicContact CD2-CD2 4.35Å; L427-F431 HydrophobicContact CD2-CE2 3.83Å; L427-F431 VanDerWaalsContact O-CD2 3.3Å; L427-F431 WeakPolarHBondContact O-CD2 3.3Å; L427-F431 PolarHBondContact O-N 2.66Å; L427-L442 HydrophobicContact CB-CD2 4.4Å |
| 428 | N | 82.4 | Confident | 69.8 | Low | 65 Ų | 65 | 76 Ų | 76 | 35% | 0.348 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.5 | -25.2 | 177.5 | -68.1 | 6 | 0 | 0 | 0 | 114 | L391 N426 | L391-N428 WeakPolarHBondContact CB-OD1 3.33Å; L391-N428 WeakPolarHBondContact CD1-OD1 3.31Å; L391-N428 WeakPolarHBondContact CG-OD1 3.03Å; N426-N428 PolarHBondContact O-N 3.07Å; N426-N428 VanDerWaalsContact O-N 3.14Å; N426-N428 PolarHBondContact OD1-N 3.02Å |
| 429 | A | 86 | Confident | 72.1 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 55% | 0.554 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -80.8 | -23.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N426 L427 | N426-A429 WeakPolarHBondContact O-CB 3.41Å; N426-A429 PolarHBondContact O-N 2.61Å; L427-A429 PolarHBondContact O-N 3.03Å; L427-A429 VanDerWaalsContact O-N 3.14Å |
| 430 | L | 88.4 | Confident | 74.7 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -91.3 | -33.6 | -177.2 | -65.5 | 175.2 | 0 | 0 | 0 | 112.4 | L111 L427 W452 | L111-L430 HydrophobicContact CB-CD1 4.28Å; L427-L430 PolarHBondContact O-N 2.91Å; L430-W452 PolarHBondContact O-NE1 2.77Å |
| 431 | F | 94.3 | Very high | 77.6 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -119.5 | 154.7 | -169 | -62.5 | -87.8 | 0 | 0 | 0 | 112.4 | L111 P113 L136 L427 C433 L442 T450 W452 V455 | L111-F431 HydrophobicContact CD2-CE2 3.9Å; L111-F431 HydrophobicContact CD2-CZ 3.71Å; P113-F431 HydrophobicContact CG-CZ 4.22Å; L136-F431 HydrophobicContact CD1-CE2 4.01Å; L136-F431 HydrophobicContact CD1-CZ 3.95Å; L427-F431 HydrophobicContact CB-CD2 4.2Å; L427-F431 HydrophobicContact CD2-CD2 4.35Å; L427-F431 HydrophobicContact CD2-CE2 3.83Å; L427-F431 VanDerWaalsContact O-CD2 3.3Å; L427-F431 WeakPolarHBondContact O-CD2 3.3Å; L427-F431 PolarHBondContact O-N 2.66Å; F431-C433 PolarHBondContact O-N 3.03Å; F431-C433 PolarHBondContact O-SG 3.28Å; F431-C433 VanDerWaalsContact O-SG 3.37Å; F431-L442 HydrophobicContact CB-CD2 3.57Å; F431-L442 HydrophobicContact CD2-CD2 4.01Å; F431-L442 HydrophobicContact CG-CD2 3.9Å; F431-T450 HydrophobicContact CD1-CG2 4.18Å; F431-T450 WeakPolarHBondContact CD1-OG1 3.38Å; F431-T450 HydrophobicContact CE1-CG2 4.26Å; F431-T450 VanDerWaalsContact CE1-OG1 3.31Å; F431-T450 WeakPolarHBondContact CE1-OG1 3.4Å; F431-W452 AromaticContact CD1-CD1 3.55Å; F431-W452 HydrophobicContact CD1-CG 4.46Å; F431-W452 HydrophobicContact CE1-CB 3.96Å; F431-W452 AromaticContact CE1-CD1 3.4Å; F431-W452 VanDerWaalsContact CE1-CD1 3.4Å; F431-W452 HydrophobicContact CE1-CG 4.02Å; F431-W452 AromaticContact CZ-CD1 3.98Å; F431-V455 HydrophobicContact CE1-CB 4.14Å; F431-V455 HydrophobicContact CE1-CG1 3.68Å; F431-V455 HydrophobicContact CZ-CG1 3.81Å |
| 432 | R | 95.9 | Very high | 80.2 | Confident | 186 Ų | 186 | 55.6 Ų | 55.6 | 70% | 0.702 | 29% | 0.292 | S | S | * | . | trans | -67.3 | 131.5 | 165.2 | -61.6 | -178.1 | -175.5 | 170.2 | 1.9 | 109.4 | L443 S451 | R432-L443 HydrophobicContact CB-CD1 3.94Å; R432-L443 HydrophobicContact CB-CG 4.41Å; R432-L443 PolarHBondContact O-N 2.9Å; R432-S451 PolarHBondContact N-OG 2.82Å | ||
| 433 | C | 94.9 | Very high | 82.9 | Confident | 40 Ų | 40 | 54.1 Ų | 54.1 | 27% | 0.27 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -125.4 | 149 | -176.3 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | F431 G441 | F431-C433 PolarHBondContact O-N 3.03Å; F431-C433 PolarHBondContact O-SG 3.28Å; F431-C433 VanDerWaalsContact O-SG 3.37Å; C433-G441 CarbonylContact C-O 3.57Å; C433-G441 WeakPolarHBondContact CA-O 3.28Å; C433-G441 WeakPolarHBondContact CB-O 3.44Å |
| 434 | A | 93.8 | Very high | 85.3 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | trans | -66.7 | 151 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G441 L443 Y463 | A434-G441 PolarHBondContact N-O 3.3Å; A434-L443 HydrophobicContact CB-CD2 3.77Å; A434-Y463 HydrophobicContact CB-CD1 3.79Å; A434-Y463 HydrophobicContact CB-CD2 3.65Å; A434-Y463 HydrophobicContact CB-CE1 4.27Å; A434-Y463 HydrophobicContact CB-CE2 4.15Å; A434-Y463 HydrophobicContact CB-CG 3.45Å; A434-Y463 VanDerWaalsContact CB-CG 3.45Å | ||
| 435 | P | 88.7 | Confident | 87.6 | Confident | 70 Ų | 70 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.246 | S | C | . | . | trans | -57.8 | 147.9 | 173.6 | -24 | 34.3 | 0 | 0 | 0 | 112.6 | E437 H438 G440 | P435-E437 HydrophobicContact CB-CG 3.92Å; P435-E437 PolarHBondContact O-N 3.1Å; P435-H438 PolarHBondContact O-N 3.42Å; P435-H438 VanDerWaalsContact O-N 3.1Å; P435-G440 PolarHBondContact O-N 2.95Å | ||
| 436 | M | 83.7 | Confident | 89.5 | Confident | 104 Ų | 104 | 50.5 Ų | 50.5 | 51% | 0.512 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -64.5 | -24 | -178.5 | -73.6 | -57.6 | -69.6 | 0 | 0 | 113.7 | E388 H438 G439 | E388-M436 HydrophobicContact CB-CE 4.31Å; E388-M436 WeakPolarHBondContact OE2-CE 3.4Å; M436-H438 PolarHBondContact O-N 2.86Å; M436-G439 WeakPolarHBondContact O-CA 3.42Å; M436-G439 PolarHBondContact O-N 3.41Å |
| 437 | E | 80.5 | Confident | 90.6 | Very high | 156 Ų | 156 | 50 Ų | 50 | 73% | 0.729 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -61.7 | -31.9 | 174 | 68.1 | -145 | -171.4 | 0 | 0 | 112.7 | P435 G439 | P435-E437 HydrophobicContact CB-CG 3.92Å; P435-E437 PolarHBondContact O-N 3.1Å; E437-G439 VanDerWaalsContact C-N 3.25Å; E437-G439 PolarHBondContact O-N 3.27Å |
| 438 | H | 79.2 | Confident | 91.3 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 41% | 0.407 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -86.8 | 7.6 | 173 | -58.3 | 104.2 | 0 | 0 | 0 | 112.6 | P435 M436 Y463 | P435-H438 PolarHBondContact O-N 3.42Å; P435-H438 VanDerWaalsContact O-N 3.1Å; M436-H438 PolarHBondContact O-N 2.86Å; H438-Y463 HydrophobicContact CB-CE2 3.92Å |
| 439 | G | 77.9 | Confident | 92.1 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 4.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A389 M436 E437 K476 | A389-G439 PolarHBondContact N-O 2.97Å; M436-G439 WeakPolarHBondContact O-CA 3.42Å; M436-G439 PolarHBondContact O-N 3.41Å; E437-G439 VanDerWaalsContact C-N 3.25Å; E437-G439 PolarHBondContact O-N 3.27Å; G439-K476 PolarHBondContact O-NZ 3.05Å |
| 440 | G | 90 | Very high | 92.7 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | trans | 64.3 | -174.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P435 | P435-G440 PolarHBondContact O-N 2.95Š| ||
| 441 | G | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 134.3 | 152.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A389 C433 A434 L443 C461 | A389-G441 VanDerWaalsContact CB-CA 3.48Å; C433-G441 CarbonylContact C-O 3.57Å; C433-G441 WeakPolarHBondContact CA-O 3.28Å; C433-G441 WeakPolarHBondContact CB-O 3.44Å; A434-G441 PolarHBondContact N-O 3.3Å; G441-L443 PolarHBondContact O-N 2.92Å; G441-C461 CarbonylContact C-O 3.43Å; G441-C461 VanDerWaalsContact CA-O 3.31Å; G441-C461 WeakPolarHBondContact CA-O 3.2Å | ||
| 442 | L | 97.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 123.1 | 173 | -56.8 | -178.5 | 0 | 0 | 0 | 108.8 | L136 L391 L427 F431 V444 A457 C461 A462 Y463 | L136-L442 HydrophobicContact CB-CD1 4.21Å; L136-L442 HydrophobicContact CD1-CD1 3.54Å; L391-L442 HydrophobicContact CD1-CD2 4.42Å; L391-L442 HydrophobicContact CD2-CD1 4.26Å; L391-L442 HydrophobicContact CD2-CD2 3.76Å; L391-L442 HydrophobicContact CD2-CG 3.64Å; L427-L442 HydrophobicContact CB-CD2 4.4Å; F431-L442 HydrophobicContact CB-CD2 3.57Å; F431-L442 HydrophobicContact CD2-CD2 4.01Å; F431-L442 HydrophobicContact CG-CD2 3.9Å; L442-V444 PolarHBondContact O-N 3.12Å; L442-A457 HydrophobicContact CB-CB 4.14Å; L442-A457 HydrophobicContact CD1-CB 3.83Å; L442-C461 PolarHBondContact N-O 3.19Å; L442-A462 CarbonylContact O-C 3.57Å; L442-A462 WeakPolarHBondContact O-CA 3.42Å; L442-Y463 PolarHBondContact O-N 3.31Å |
| 443 | L | 98.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 126.6 | 176.7 | -62.4 | -178.9 | 0 | 0 | 0 | 109.1 | R432 A434 G441 Y463 N465 | R432-L443 HydrophobicContact CB-CD1 3.94Å; R432-L443 HydrophobicContact CB-CG 4.41Å; R432-L443 PolarHBondContact O-N 2.9Å; A434-L443 HydrophobicContact CB-CD2 3.77Å; G441-L443 PolarHBondContact O-N 2.92Å; L443-Y463 HydrophobicContact CD2-CD1 3.62Å; L443-Y463 HydrophobicContact CD2-CE1 4.41Å; L443-Y463 HydrophobicContact CD2-CG 4.24Å; L443-N465 HydrophobicContact CB-CB 4.01Å; L443-N465 HydrophobicContact CD2-CB 4.01Å; L443-N465 HydrophobicContact CG-CB 4.49Å |
| 444 | V | 98.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 145.9 | 174.5 | -63.3 | 0 | 0 | 0 | 0 | 112.4 | L442 M448 E449 T450 A457 A462 Y463 N465 W466 M484 | L442-V444 PolarHBondContact O-N 3.12Å; V444-M448 WeakPolarHBondContact CG1-O 3.46Å; V444-M448 HydrophobicContact CG2-SD 4.13Å; V444-E449 WeakPolarHBondContact CA-O 3.39Å; V444-T450 HydrophobicContact CG1-CG2 4.05Å; V444-A457 HydrophobicContact CG1-CB 3.79Å; V444-A462 HydrophobicContact CG1-CB 4.15Å; V444-A462 HydrophobicContact CG2-CB 4.07Å; V444-Y463 WeakPolarHBondContact CG2-O 3.43Å; V444-Y463 PolarHBondContact N-O 3.24Å; V444-N465 WeakPolarHBondContact O-CA 3.48Å; V444-N465 VanDerWaalsContact O-CB 3.3Å; V444-N465 WeakPolarHBondContact O-CB 3.4Å; V444-N465 PolarHBondContact O-N 2.52Å; V444-W466 HydrophobicContact CG2-CZ3 4.23Å; V444-M484 HydrophobicContact CG2-CE 4Å |
| 445 | N | 98 | Very high | 93.6 | Very high | 46 Ų | 46 | 49 Ų | 49 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | trans | -81.5 | -173.9 | 173.2 | 71.9 | 2.3 | 0 | 0 | 0 | 111.9 | Q447 M448 E449 | N445-Q447 PolarHBondContact O-N 3.23Å; N445-Q447 VanDerWaalsContact O-N 3.1Å; N445-Q447 WeakPolarHBondContact OD1-CA 3.45Å; N445-Q447 PolarHBondContact OD1-N 2.86Å; N445-M448 PolarHBondContact O-N 2.97Å; N445-M448 PolarHBondContact OD1-N 2.78Å; N445-E449 PolarHBondContact N-O 2.96Å; N445-E449 VanDerWaalsContact N-O 3.12Å; N445-E449 PolarHBondContact ND2-OE2 2.89Å; N445-E449 WeakPolarHBondContact OD1-CB 3.45Å; N445-E449 PolarHBondContact OD1-N 3.12Å | ||
| 446 | E | 97.6 | Very high | 94.1 | Very high | 88 Ų | 88 | 45.7 Ų | 45.7 | 41% | 0.411 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -19.5 | 178 | -61.6 | 83.6 | 171 | 0 | 0 | 113.4 | W466 Q487 L504 | E446-W466 HydrophobicContact CG-CB 3.52Å; E446-W466 HydrophobicContact CG-CG 3.93Å; E446-W466 WeakPolarHBondContact OE1-CB 3.31Å; E446-Q487 PolarHBondContact O-NE2 2.92Å; E446-L504 HydrophobicContact CB-CB 4.44Å; E446-L504 HydrophobicContact CB-CD1 4.44Å; E446-L504 VanDerWaalsContact O-CD1 3.23Å; E446-L504 WeakPolarHBondContact O-CD1 3.45Å |
| 447 | Q | 98.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 40.8 Ų | 40.8 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 15.7 | 179.3 | -59.1 | -173.3 | 94.8 | 0 | 0 | 111.9 | N445 E449 Y456 S491 H495 H500 I502 | N445-Q447 PolarHBondContact O-N 3.23Å; N445-Q447 VanDerWaalsContact O-N 3.1Å; N445-Q447 WeakPolarHBondContact OD1-CA 3.45Å; N445-Q447 PolarHBondContact OD1-N 2.86Å; Q447-E449 HydrophobicContact CB-CG 4.29Å; Q447-E449 PolarHBondContact O-N 2.9Å; Q447-E449 VanDerWaalsContact O-N 3.15Å; Q447-Y456 VanDerWaalsContact O-CD1 3.3Å; Q447-Y456 WeakPolarHBondContact O-CD1 3.22Å; Q447-Y456 WeakPolarHBondContact O-CE1 3.49Å; Q447-S491 WeakPolarHBondContact CA-OG 3.3Å; Q447-S491 WeakPolarHBondContact O-CB 3.4Å; Q447-S491 PolarHBondContact O-OG 3.04Å; Q447-S491 VanDerWaalsContact O-OG 3.11Å; Q447-H495 PolarHBondContact OE1-NE2 3.15Å; Q447-H500 PolarHBondContact NE2-O 2.68Å; Q447-H500 PolarHBondContact OE1-O 3.17Å; Q447-I502 HydrophobicContact CG-CB 4.39Å; Q447-I502 VanDerWaalsContact OE1-CB 3.26Å; Q447-I502 VanDerWaalsContact OE1-CG1 3.31Å |
| 448 | M | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 62.4 | 12.4 | -178.3 | -54.2 | -61.4 | 132.9 | 0 | 0 | 114.7 | V444 N445 Y456 A457 W466 M484 Q487 A488 L504 F508 | V444-M448 WeakPolarHBondContact CG1-O 3.46Å; V444-M448 HydrophobicContact CG2-SD 4.13Å; N445-M448 PolarHBondContact O-N 2.97Å; N445-M448 PolarHBondContact OD1-N 2.78Å; M448-Y456 HydrophobicContact CB-CD1 4.32Å; M448-Y456 CarbonylContact O-C 3.58Å; M448-Y456 WeakPolarHBondContact O-CA 3.41Å; M448-Y456 VanDerWaalsContact O-CB 3.31Å; M448-Y456 WeakPolarHBondContact O-CB 2.81Å; M448-A457 PolarHBondContact O-N 2.97Å; M448-W466 HydrophobicContact CE-CH2 3.68Å; M448-W466 HydrophobicContact CE-CZ3 3.72Å; M448-W466 HydrophobicContact SD-CZ3 4.47Å; M448-M484 HydrophobicContact SD-CB 4.17Å; M448-M484 HydrophobicContact SD-CE 3.66Å; M448-M484 HydrophobicContact SD-CG 4.23Å; M448-Q487 HydrophobicContact CE-CB 4.03Å; M448-Q487 HydrophobicContact CE-CG 3.65Å; M448-Q487 HydrophobicContact CG-CB 4Å; M448-Q487 HydrophobicContact CG-CG 3.85Å; M448-A488 HydrophobicContact CB-CB 3.83Å; M448-A488 HydrophobicContact CG-CB 3.94Å; M448-L504 HydrophobicContact CE-CD1 4.05Å; M448-F508 HydrophobicContact CE-CE2 4.45Å; M448-F508 HydrophobicContact CE-CZ 4.03Å | ||
| 449 | E | 98.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 29.2 Ų | 29.2 | 22% | 0.224 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 137.3 | 179.8 | -62.1 | 176.2 | 111.4 | 0 | 0 | 111 | V444 N445 Q447 Y456 H495 | V444-E449 WeakPolarHBondContact CA-O 3.39Å; N445-E449 PolarHBondContact N-O 2.96Å; N445-E449 VanDerWaalsContact N-O 3.12Å; N445-E449 PolarHBondContact ND2-OE2 2.89Å; N445-E449 WeakPolarHBondContact OD1-CB 3.45Å; N445-E449 PolarHBondContact OD1-N 3.12Å; Q447-E449 HydrophobicContact CB-CG 4.29Å; Q447-E449 PolarHBondContact O-N 2.9Å; Q447-E449 VanDerWaalsContact O-N 3.15Å; E449-Y456 HydrophobicContact CB-CD1 4.49Å; E449-Y456 HydrophobicContact CB-CE1 4.44Å; E449-Y456 HydrophobicContact CG-CD1 3.84Å; E449-Y456 HydrophobicContact CG-CE1 3.37Å; E449-H495 VanDerWaalsContact CD-CE1 3.45Å; E449-H495 IonicContact OE1-CE1 3.54Å; E449-H495 PolarHBondContact OE1-CE1 2.93Å; E449-H495 VanDerWaalsContact OE1-CE1 3.31Å; E449-H495 IonicContact OE1-ND1 3.58Å; E449-H495 PolarHBondContact OE1-ND1 2.92Å; E449-H495 IonicContact OE2-CE1 3.4Å |
| 450 | T | 98.4 | Very high | 97.4 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 10% | 0.104 | 14% | 0.142 | C | C | . | . | trans | -84.8 | -171.8 | 173 | 71.4 | 0 | 0 | 0 | 0 | 111.5 | F431 V444 W452 V455 A457 | F431-T450 HydrophobicContact CD1-CG2 4.18Å; F431-T450 WeakPolarHBondContact CD1-OG1 3.38Å; F431-T450 HydrophobicContact CE1-CG2 4.26Å; F431-T450 VanDerWaalsContact CE1-OG1 3.31Å; F431-T450 WeakPolarHBondContact CE1-OG1 3.4Å; V444-T450 HydrophobicContact CG1-CG2 4.05Å; T450-W452 PolarHBondContact O-N 3.22Å; T450-W452 PolarHBondContact OG1-N 3.26Å; T450-W452 PolarHBondContact OG1-O 3.35Å; T450-V455 WeakPolarHBondContact CB-O 3.19Å; T450-V455 HydrophobicContact CG2-CG1 4.3Å; T450-V455 WeakPolarHBondContact CG2-O 3.4Å; T450-V455 PolarHBondContact N-O 3.39Å; T450-V455 PolarHBondContact OG1-O 2.92Å; T450-A457 HydrophobicContact CG2-CB 3.89Å | ||
| 451 | S | 96.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 29.2 Ų | 29.2 | 38% | 0.378 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -68.4 | -11.4 | 172.2 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | R432 | R432-S451 PolarHBondContact N-OG 2.82Š|
| 452 | W | 97.5 | Very high | 97.8 | Very high | 97 Ų | 97 | 29.2 Ų | 29.2 | 37% | 0.367 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -102.3 | 135.5 | 174.5 | -77.2 | 94.2 | 0 | 0 | 0 | 110.7 | P113 L430 F431 T450 D454 V455 | P113-W452 HydrophobicContact CB-CB 4.04Å; P113-W452 HydrophobicContact CB-CD2 3.48Å; P113-W452 VanDerWaalsContact CB-CD2 3.48Å; P113-W452 HydrophobicContact CB-CE3 3.66Å; P113-W452 HydrophobicContact CB-CG 3.65Å; P113-W452 HydrophobicContact CB-CZ3 4.32Å; P113-W452 HydrophobicContact CG-CD2 3.98Å; P113-W452 HydrophobicContact CG-CG 4Å; L430-W452 PolarHBondContact O-NE1 2.77Å; F431-W452 AromaticContact CD1-CD1 3.55Å; F431-W452 HydrophobicContact CD1-CG 4.46Å; F431-W452 HydrophobicContact CE1-CB 3.96Å; F431-W452 AromaticContact CE1-CD1 3.4Å; F431-W452 VanDerWaalsContact CE1-CD1 3.4Å; F431-W452 HydrophobicContact CE1-CG 4.02Å; F431-W452 AromaticContact CZ-CD1 3.98Å; T450-W452 PolarHBondContact O-N 3.22Å; T450-W452 PolarHBondContact OG1-N 3.26Å; T450-W452 PolarHBondContact OG1-O 3.35Å; W452-D454 PolarHBondContact O-N 3.44Å; W452-V455 HydrophobicContact CB-CB 4.12Å; W452-V455 HydrophobicContact CB-CG2 4.02Å; W452-V455 PolarHBondContact O-N 3.25Å |
| 453 | K | 96.8 | Very high | 97.8 | Very high | 163 Ų | 163 | 31.2 Ų | 31.2 | 71% | 0.709 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.5 | 172.2 | -177.8 | 177.1 | 174.2 | 176.8 | 0 | 109.6 | V455 | K453-V455 PolarHBondContact O-N 3.49Å; K453-V455 VanDerWaalsContact O-N 3.11Å |
| 454 | D | 98.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 11% | 0.107 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | 9.6 | 175.8 | -57.4 | -31.6 | 0 | 0 | 0 | 115 | H116 N132 K133 L134 W452 | H116-D454 IonicContact NE2-OD2 3.61Å; N132-D454 WeakPolarHBondContact O-CB 3.17Å; K133-D454 WeakPolarHBondContact CA-O 3.38Å; K133-D454 HydrophobicContact CD-CB 3.94Å; K133-D454 IonicContact NZ-OD1 2.75Å; K133-D454 PolarHBondContact NZ-OD1 3.43Å; L134-D454 PolarHBondContact N-O 2.87Å; W452-D454 PolarHBondContact O-N 3.44Å |
| 455 | V | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.9 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | P113 Y131 L134 L136 F431 T450 W452 K453 | P113-V455 HydrophobicContact CB-CG2 4.35Å; Y131-V455 HydrophobicContact CE2-CG2 4.35Å; L134-V455 HydrophobicContact CB-CG2 4.42Å; L134-V455 HydrophobicContact CD2-CG1 4.07Å; L134-V455 HydrophobicContact CD2-CG2 4.27Å; L134-V455 HydrophobicContact CG-CG1 4.36Å; L134-V455 CarbonylContact O-C 3.59Å; L134-V455 WeakPolarHBondContact O-CA 3.05Å; L136-V455 HydrophobicContact CD1-CG1 4.07Å; L136-V455 HydrophobicContact CG-CG1 4.28Å; F431-V455 HydrophobicContact CE1-CB 4.14Å; F431-V455 HydrophobicContact CE1-CG1 3.68Å; F431-V455 HydrophobicContact CZ-CG1 3.81Å; T450-V455 WeakPolarHBondContact CB-O 3.19Å; T450-V455 HydrophobicContact CG2-CG1 4.3Å; T450-V455 WeakPolarHBondContact CG2-O 3.4Å; T450-V455 PolarHBondContact N-O 3.39Å; T450-V455 PolarHBondContact OG1-O 2.92Å; W452-V455 HydrophobicContact CB-CB 4.12Å; W452-V455 HydrophobicContact CB-CG2 4.02Å; W452-V455 PolarHBondContact O-N 3.25Å; K453-V455 PolarHBondContact O-N 3.49Å; K453-V455 VanDerWaalsContact O-N 3.11Å |
| 456 | Y | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 162.2 | -178.3 | -57.5 | -106.3 | 0 | 0 | 0 | 109.4 | K133 L134 C135 L136 Q447 M448 E449 M492 H495 | K133-Y456 HydrophobicContact CB-CE2 4.4Å; K133-Y456 HydrophobicContact CD-CE2 4.06Å; L134-Y456 WeakPolarHBondContact O-CD2 2.97Å; L134-Y456 PolarHBondContact O-N 3.41Å; C135-Y456 CarbonylContact C-O 3.58Å; C135-Y456 WeakPolarHBondContact CA-O 3.47Å; L136-Y456 PolarHBondContact N-O 3Å; Q447-Y456 VanDerWaalsContact O-CD1 3.3Å; Q447-Y456 WeakPolarHBondContact O-CD1 3.22Å; Q447-Y456 WeakPolarHBondContact O-CE1 3.49Å; M448-Y456 HydrophobicContact CB-CD1 4.32Å; M448-Y456 CarbonylContact O-C 3.58Å; M448-Y456 WeakPolarHBondContact O-CA 3.41Å; M448-Y456 VanDerWaalsContact O-CB 3.31Å; M448-Y456 WeakPolarHBondContact O-CB 2.81Å; E449-Y456 HydrophobicContact CB-CD1 4.49Å; E449-Y456 HydrophobicContact CB-CE1 4.44Å; E449-Y456 HydrophobicContact CG-CD1 3.84Å; E449-Y456 HydrophobicContact CG-CE1 3.37Å; Y456-M492 HydrophobicContact CD1-CG 3.96Å; Y456-M492 HydrophobicContact CD2-CG 3.42Å; Y456-M492 VanDerWaalsContact CD2-CG 3.42Å; Y456-M492 HydrophobicContact CD2-SD 4.1Å; Y456-M492 HydrophobicContact CE1-CG 4.03Å; Y456-M492 HydrophobicContact CE2-CG 3.56Å; Y456-M492 HydrophobicContact CG-CG 3.67Å; Y456-M492 HydrophobicContact CG-SD 4.21Å; Y456-H495 AromaticContact CZ-ND1 3.78Å; Y456-H495 PolarHBondContact OH-ND1 3.33Å |
| 457 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 145.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L136 L442 V444 M448 T450 A462 | L136-A457 HydrophobicContact CB-CB 4.16Å; L136-A457 CarbonylContact O-C 3.12Å; L136-A457 WeakPolarHBondContact O-CA 3.44Å; L442-A457 HydrophobicContact CB-CB 4.14Å; L442-A457 HydrophobicContact CD1-CB 3.83Å; V444-A457 HydrophobicContact CG1-CB 3.79Å; M448-A457 PolarHBondContact O-N 2.97Å; T450-A457 HydrophobicContact CG2-CB 3.89Å; A457-A462 HydrophobicContact CB-CB 3.83Å |
| 458 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -145.8 | 150.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A23 L136 T137 C461 M484 A488 | A23-A458 HydrophobicContact CB-CB 4.28Å; L136-A458 PolarHBondContact O-N 3.28Å; T137-A458 HydrophobicContact CG2-CB 4.06Å; A458-C461 PolarHBondContact O-SG 3.06Å; A458-C461 VanDerWaalsContact O-SG 3.41Å; A458-M484 HydrophobicContact CB-CB 3.82Å; A458-A488 HydrophobicContact CB-CB 4.06Å | ||
| 459 | G | 97.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 74.2 | -158.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C461 A462 | G459-C461 PolarHBondContact O-N 3.13Å; G459-A462 WeakPolarHBondContact O-CB 3.23Å; G459-A462 PolarHBondContact O-N 2.86Å |
| 460 | D | 95 | Very high | 97.2 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -12.5 | -167.4 | -67.8 | 21.8 | 0 | 0 | 0 | 116.7 | G139 R156 A389 A462 K476 | G139-D460 CarbonylContact O-C 3.53Å; R156-D460 IonicContact CZ-OD2 2.66Å; R156-D460 IonicContact NH1-OD2 3.28Å; R156-D460 IonicContact NH2-OD2 3.57Å; R156-D460 PolarHBondContact NH2-OD2 2.9Å; A389-D460 WeakPolarHBondContact CA-O 3.4Å; A389-D460 WeakPolarHBondContact CB-O 2.9Å; D460-A462 VanDerWaalsContact C-N 3.35Å; D460-K476 HydrophobicContact CB-CD 4.25Å; D460-K476 HydrophobicContact CB-CG 4.27Å; D460-K476 WeakPolarHBondContact OD2-CB 3.38Å |
| 461 | C | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -15.1 | 172.1 | 61.6 | 0 | 0 | 0 | 0 | 113 | L136 T138 G139 L391 G441 L442 A458 G459 | L136-C461 PolarHBondContact O-SG 2.89Å; T138-C461 PolarHBondContact N-SG 2.74Å; T138-C461 WeakPolarHBondContact OG1-CB 3.21Å; G139-C461 WeakPolarHBondContact O-CA 3.37Å; G139-C461 WeakPolarHBondContact O-CB 3.43Å; G139-C461 PolarHBondContact O-N 3.05Å; L391-C461 HydrophobicContact CD2-CB 4.23Å; G441-C461 CarbonylContact C-O 3.43Å; G441-C461 VanDerWaalsContact CA-O 3.31Å; G441-C461 WeakPolarHBondContact CA-O 3.2Å; L442-C461 PolarHBondContact N-O 3.19Å; A458-C461 PolarHBondContact O-SG 3.06Å; A458-C461 VanDerWaalsContact O-SG 3.41Å; G459-C461 PolarHBondContact O-N 3.13Å |
| 462 | A | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 153.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L442 V444 A457 G459 D460 Q474 M484 | L442-A462 CarbonylContact O-C 3.57Å; L442-A462 WeakPolarHBondContact O-CA 3.42Å; V444-A462 HydrophobicContact CG1-CB 4.15Å; V444-A462 HydrophobicContact CG2-CB 4.07Å; A457-A462 HydrophobicContact CB-CB 3.83Å; G459-A462 WeakPolarHBondContact O-CB 3.23Å; G459-A462 PolarHBondContact O-N 2.86Å; D460-A462 VanDerWaalsContact C-N 3.35Å; A462-Q474 PolarHBondContact O-NE2 2.78Å; A462-M484 HydrophobicContact CB-CE 3.7Å |
| 463 | Y | 98 | Very high | 97.1 | Very high | 41 Ų | 41 | 34.3 Ų | 34.3 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 125.2 | 175 | -175.5 | -86.4 | 0 | 0 | 0 | 109.4 | A434 H438 L442 L443 V444 N465 | A434-Y463 HydrophobicContact CB-CD1 3.79Å; A434-Y463 HydrophobicContact CB-CD2 3.65Å; A434-Y463 HydrophobicContact CB-CE1 4.27Å; A434-Y463 HydrophobicContact CB-CE2 4.15Å; A434-Y463 HydrophobicContact CB-CG 3.45Å; A434-Y463 VanDerWaalsContact CB-CG 3.45Å; H438-Y463 HydrophobicContact CB-CE2 3.92Å; L442-Y463 PolarHBondContact O-N 3.31Å; L443-Y463 HydrophobicContact CD2-CD1 3.62Å; L443-Y463 HydrophobicContact CD2-CE1 4.41Å; L443-Y463 HydrophobicContact CD2-CG 4.24Å; V444-Y463 WeakPolarHBondContact CG2-O 3.43Å; V444-Y463 PolarHBondContact N-O 3.24Å; Y463-N465 PolarHBondContact O-N 3.38Å |
| 464 | A | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 97.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | W466 W468 W472 | A464-W466 HydrophobicContact CB-CD2 4.12Å; A464-W466 HydrophobicContact CB-CE3 3.79Å; A464-W466 HydrophobicContact CB-CH2 3.22Å; A464-W466 HydrophobicContact CB-CZ2 3.57Å; A464-W466 HydrophobicContact CB-CZ3 3.35Å; A464-W468 HydrophobicContact CB-CZ2 4.32Å; A464-W468 PolarHBondContact O-NE1 2.9Å; A464-W472 HydrophobicContact CB-CH2 3.87Å; A464-W472 HydrophobicContact CB-CZ3 4.03Å |
| 465 | N | 97 | Very high | 96.7 | Very high | 93 Ų | 93 | 27.4 Ų | 27.4 | 50% | 0.497 | 15% | 0.145 | S | C | . | . | trans | -100.7 | 32.7 | -173.5 | -167.1 | 67.5 | 0 | 0 | 0 | 113.2 | L443 V444 Y463 | L443-N465 HydrophobicContact CB-CB 4.01Å; L443-N465 HydrophobicContact CD2-CB 4.01Å; L443-N465 HydrophobicContact CG-CB 4.49Å; V444-N465 WeakPolarHBondContact O-CA 3.48Å; V444-N465 VanDerWaalsContact O-CB 3.3Å; V444-N465 WeakPolarHBondContact O-CB 3.4Å; V444-N465 PolarHBondContact O-N 2.52Å; Y463-N465 PolarHBondContact O-N 3.38Å | ||
| 466 | W | 96.3 | Very high | 96.3 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 7% | 0.072 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -104.7 | 173.5 | 169 | 62.1 | 96.1 | 0 | 0 | 0 | 110.8 | V444 E446 M448 A464 W468 W472 L504 F508 | V444-W466 HydrophobicContact CG2-CZ3 4.23Å; E446-W466 HydrophobicContact CG-CB 3.52Å; E446-W466 HydrophobicContact CG-CG 3.93Å; E446-W466 WeakPolarHBondContact OE1-CB 3.31Å; M448-W466 HydrophobicContact CE-CH2 3.68Å; M448-W466 HydrophobicContact CE-CZ3 3.72Å; M448-W466 HydrophobicContact SD-CZ3 4.47Å; A464-W466 HydrophobicContact CB-CD2 4.12Å; A464-W466 HydrophobicContact CB-CE3 3.79Å; A464-W466 HydrophobicContact CB-CH2 3.22Å; A464-W466 HydrophobicContact CB-CZ2 3.57Å; A464-W466 HydrophobicContact CB-CZ3 3.35Å; W466-W468 AromaticContact CD1-CD1 3.87Å; W466-W468 AromaticContact NE1-CD1 3.68Å; W466-W468 VanDerWaalsContact O-CD1 3.23Å; W466-W468 PolarHBondContact O-N 2.83Å; W466-W472 HydrophobicContact CH2-CH2 4.4Å; W466-W472 AromaticContact CZ2-CH2 3.87Å; W466-W472 HydrophobicContact CZ2-CH2 3.87Å; W466-W472 HydrophobicContact CZ2-CZ2 4.46Å; W466-W472 HydrophobicContact CZ2-CZ3 4.04Å; W466-L504 HydrophobicContact CD2-CD2 4.49Å; W466-L504 HydrophobicContact CZ2-CD1 4.43Å; W466-L504 HydrophobicContact CZ2-CD2 4.22Å; W466-F508 HydrophobicContact CH2-CD1 4.18Å; W466-F508 HydrophobicContact CH2-CE1 4.07Å; W466-F508 AromaticContact CZ2-CD1 3.65Å; W466-F508 HydrophobicContact CZ2-CD1 3.65Å; W466-F508 HydrophobicContact CZ2-CE1 4.03Å; W466-F508 HydrophobicContact CZ2-CG 4.25Å |
| 467 | T | 96.2 | Very high | 96 | Very high | 133 Ų | 133 | 28.6 Ų | 28.6 | 82% | 0.816 | 15% | 0.15 | S | C | * | . | trans | -75.9 | 111.5 | 172 | -58.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 468 | W | 95.9 | Very high | 95.5 | Very high | 82 Ų | 82 | 29.9 Ų | 29.9 | 31% | 0.311 | 15% | 0.154 | S | C | . | . | trans | -70.2 | 145.8 | -178 | -56.7 | -13.6 | 0 | 0 | 0 | 111.9 | A464 W466 W472 F473 Q474 | A464-W468 HydrophobicContact CB-CZ2 4.32Å; A464-W468 PolarHBondContact O-NE1 2.9Å; W466-W468 AromaticContact CD1-CD1 3.87Å; W466-W468 AromaticContact NE1-CD1 3.68Å; W466-W468 VanDerWaalsContact O-CD1 3.23Å; W466-W468 PolarHBondContact O-N 2.83Å; W468-W472 HydrophobicContact CB-CE3 3.97Å; W468-W472 AromaticContact CD1-CE3 3.95Å; W468-W472 AromaticContact CD1-CZ3 3.64Å; W468-W472 AromaticContact CD2-CE3 3.95Å; W468-W472 HydrophobicContact CD2-CE3 3.95Å; W468-W472 AromaticContact CD2-CZ3 3.77Å; W468-W472 HydrophobicContact CD2-CZ3 3.77Å; W468-W472 AromaticContact CE2-CZ3 3.75Å; W468-W472 HydrophobicContact CE3-CE3 4.5Å; W468-W472 HydrophobicContact CE3-CZ3 4.49Å; W468-W472 AromaticContact CG-CE3 3.67Å; W468-W472 HydrophobicContact CG-CE3 3.67Å; W468-W472 AromaticContact CG-CZ3 3.73Å; W468-W472 HydrophobicContact CG-CZ3 3.73Å; W468-W472 HydrophobicContact CZ2-CZ3 4.43Å; W468-W472 AromaticContact NE1-CZ3 3.68Å; W468-F473 HydrophobicContact CE3-CB 3.84Å; W468-F473 HydrophobicContact CZ3-CB 3.79Å; W468-Q474 HydrophobicContact CH2-CB 4.05Å; W468-Q474 HydrophobicContact CZ2-CB 3.97Å | ||
| 469 | S | 95.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 30.7 Ų | 30.7 | 14% | 0.14 | 16% | 0.16 | C | C | . | . | trans | -60.4 | 149.2 | 168.6 | -60.5 | 0 | 0 | 0 | 0 | 110.4 | H471 W472 E509 | S469-H471 PolarHBondContact O-N 2.7Å; S469-W472 PolarHBondContact O-N 3.08Å; S469-E509 WeakPolarHBondContact CB-O 3.11Å; S469-E509 VanDerWaalsContact CB-OE2 3.23Å; S469-E509 WeakPolarHBondContact CB-OE2 3.42Å; S469-E509 VanDerWaalsContact OG-CD 3.23Å; S469-E509 PolarHBondContact OG-OE2 3.15Å | ||
| 470 | P | 95.8 | Very high | 95 | Very high | 83 Ų | 83 | 30.8 Ų | 30.8 | 54% | 0.539 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.8 | -172 | -27.9 | 35.6 | 0 | 0 | 0 | 114.3 | R527 | P470-R527 PolarHBondContact O-NE 3.12Å; P470-R527 PolarHBondContact O-NH2 3.41Å |
| 471 | H | 97.6 | Very high | 95.1 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -101.5 | 6.2 | -177.3 | -51.3 | 97.5 | 0 | 0 | 0 | 113.7 | S469 L510 F511 G526 Q563 I581 Q584 | S469-H471 PolarHBondContact O-N 2.7Å; H471-L510 HydrophobicContact CB-CD1 3.68Å; H471-F511 WeakPolarHBondContact O-CB 3.35Å; H471-F511 PolarHBondContact O-N 2.87Å; H471-G526 WeakPolarHBondContact O-CA 3.29Å; H471-Q563 PolarHBondContact CD2-O 2.65Å; H471-Q563 VanDerWaalsContact CD2-O 3.28Å; H471-Q563 PolarHBondContact NE2-OE1 3.36Å; H471-I581 HydrophobicContact CB-CG2 4.09Å; H471-Q584 VanDerWaalsContact CE1-CD 3.49Å; H471-Q584 PolarHBondContact CE1-NE2 3.27Å; H471-Q584 PolarHBondContact NE2-NE2 2.82Å |
| 472 | W | 96.8 | Very high | 95 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | trans | -112.1 | 143.6 | 175.7 | -169.7 | 96.6 | 0 | 0 | 0 | 111.3 | A464 W466 W468 S469 Q474 F508 | A464-W472 HydrophobicContact CB-CH2 3.87Å; A464-W472 HydrophobicContact CB-CZ3 4.03Å; W466-W472 HydrophobicContact CH2-CH2 4.4Å; W466-W472 AromaticContact CZ2-CH2 3.87Å; W466-W472 HydrophobicContact CZ2-CH2 3.87Å; W466-W472 HydrophobicContact CZ2-CZ2 4.46Å; W466-W472 HydrophobicContact CZ2-CZ3 4.04Å; W468-W472 HydrophobicContact CB-CE3 3.97Å; W468-W472 AromaticContact CD1-CE3 3.95Å; W468-W472 AromaticContact CD1-CZ3 3.64Å; W468-W472 AromaticContact CD2-CE3 3.95Å; W468-W472 HydrophobicContact CD2-CE3 3.95Å; W468-W472 AromaticContact CD2-CZ3 3.77Å; W468-W472 HydrophobicContact CD2-CZ3 3.77Å; W468-W472 AromaticContact CE2-CZ3 3.75Å; W468-W472 HydrophobicContact CE3-CE3 4.5Å; W468-W472 HydrophobicContact CE3-CZ3 4.49Å; W468-W472 AromaticContact CG-CE3 3.67Å; W468-W472 HydrophobicContact CG-CE3 3.67Å; W468-W472 AromaticContact CG-CZ3 3.73Å; W468-W472 HydrophobicContact CG-CZ3 3.73Å; W468-W472 HydrophobicContact CZ2-CZ3 4.43Å; W468-W472 AromaticContact NE1-CZ3 3.68Å; S469-W472 PolarHBondContact O-N 3.08Å; W472-Q474 HydrophobicContact CH2-CB 3.76Å; W472-Q474 HydrophobicContact CH2-CG 4.09Å; W472-Q474 HydrophobicContact CZ3-CB 4.07Å; W472-F508 WeakPolarHBondContact CB-O 3.29Å; W472-F508 AromaticContact CE2-CD1 3.75Å; W472-F508 HydrophobicContact CH2-CD1 4.24Å; W472-F508 AromaticContact CZ2-CD1 3.57Å; W472-F508 HydrophobicContact CZ2-CD1 3.57Å; W472-F508 AromaticContact CZ2-CE1 4Å; W472-F508 HydrophobicContact CZ2-CE1 4Å; W472-F508 AromaticContact NE1-CD1 3.91Å | ||
| 473 | F | 95.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 34 Ų | 34 | 14% | 0.136 | 17% | 0.173 | C | C | . | . | trans | -153.2 | 154.2 | 170.4 | 52.8 | -86.5 | 0 | 0 | 0 | 110.2 | W468 M475 Q480 F511 G526 F528 Q531 | W468-F473 HydrophobicContact CE3-CB 3.84Å; W468-F473 HydrophobicContact CZ3-CB 3.79Å; F473-M475 HydrophobicContact CD2-CG 4Å; F473-M475 HydrophobicContact CE2-CG 3.83Å; F473-M475 HydrophobicContact CE2-SD 3.74Å; F473-M475 PolarHBondContact O-N 3.11Å; F473-Q480 PolarHBondContact O-NE2 2.85Å; F473-F511 HydrophobicContact CD1-CB 4.22Å; F473-F511 HydrophobicContact CD1-CD2 4.49Å; F473-F511 HydrophobicContact CD1-CG 4.45Å; F473-F511 HydrophobicContact CD2-CD2 4.15Å; F473-F511 HydrophobicContact CD2-CE2 4.41Å; F473-F511 HydrophobicContact CE1-CB 3.9Å; F473-F511 HydrophobicContact CE1-CD1 4.39Å; F473-F511 HydrophobicContact CE1-CD2 4.22Å; F473-F511 AromaticContact CE1-CG 3.9Å; F473-F511 HydrophobicContact CE1-CG 3.9Å; F473-F511 AromaticContact CE2-CD2 3.87Å; F473-F511 HydrophobicContact CE2-CD2 3.87Å; F473-F511 AromaticContact CE2-CE2 3.92Å; F473-F511 HydrophobicContact CE2-CE2 3.92Å; F473-F511 HydrophobicContact CE2-CG 4.26Å; F473-F511 HydrophobicContact CE2-CZ 4.37Å; F473-F511 HydrophobicContact CG-CD2 4.45Å; F473-F511 HydrophobicContact CZ-CB 4.31Å; F473-F511 HydrophobicContact CZ-CD1 4.03Å; F473-F511 AromaticContact CZ-CD2 3.89Å; F473-F511 HydrophobicContact CZ-CD2 3.89Å; F473-F511 HydrophobicContact CZ-CE1 4.36Å; F473-F511 HydrophobicContact CZ-CE2 4.21Å; F473-F511 AromaticContact CZ-CG 3.79Å; F473-F511 HydrophobicContact CZ-CG 3.79Å; F473-F511 HydrophobicContact CZ-CZ 4.44Å; F473-F511 WeakPolarHBondContact O-CD2 3.26Å; F473-G526 WeakPolarHBondContact CE1-O 3.34Å; F473-F528 HydrophobicContact CE2-CE1 4.33Å; F473-F528 HydrophobicContact CZ-CD1 4.1Å; F473-F528 AromaticContact CZ-CE1 3.67Å; F473-F528 HydrophobicContact CZ-CE1 3.67Å; F473-Q531 HydrophobicContact CE1-CB 4.19Å; F473-Q531 HydrophobicContact CE1-CG 4.15Å; F473-Q531 HydrophobicContact CE2-CG 4.28Å; F473-Q531 HydrophobicContact CZ-CB 4.39Å; F473-Q531 HydrophobicContact CZ-CG 3.87Å | ||
| 474 | Q | 95 | Very high | 94.9 | Very high | 27 Ų | 27 | 32 Ų | 32 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | trans | -77.4 | 129.8 | -177 | -161.8 | -179.8 | 5.8 | 0 | 0 | 111.4 | A462 W468 W472 | A462-Q474 PolarHBondContact O-NE2 2.78Å; W468-Q474 HydrophobicContact CH2-CB 4.05Å; W468-Q474 HydrophobicContact CZ2-CB 3.97Å; W472-Q474 HydrophobicContact CH2-CB 3.76Å; W472-Q474 HydrophobicContact CH2-CG 4.09Å; W472-Q474 HydrophobicContact CZ3-CB 4.07Å | ||
| 475 | M | 92.7 | Very high | 95 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.054 | 17% | 0.165 | C | C | . | . | trans | -130.9 | 154.9 | 164.1 | -70.8 | -175 | 70.1 | 0 | 0 | 109.6 | F208 G296 F473 L477 Q480 F511 | F208-M475 HydrophobicContact CD1-CE 4.49Å; F208-M475 HydrophobicContact CE1-CE 3.84Å; F208-M475 HydrophobicContact CZ-CE 4.1Å; G296-M475 VanDerWaalsContact O-CE 3.28Å; G296-M475 WeakPolarHBondContact O-CE 3.21Å; F473-M475 HydrophobicContact CD2-CG 4Å; F473-M475 HydrophobicContact CE2-CG 3.83Å; F473-M475 HydrophobicContact CE2-SD 3.74Å; F473-M475 PolarHBondContact O-N 3.11Å; M475-L477 VanDerWaalsContact C-N 3.33Å; M475-L477 HydrophobicContact CB-CD1 3.69Å; M475-L477 HydrophobicContact CB-CD2 4.47Å; M475-L477 HydrophobicContact CB-CG 3.7Å; M475-L477 PolarHBondContact O-N 3.06Å; M475-L477 HydrophobicContact SD-CD1 4.33Å; M475-Q480 PolarHBondContact O-OE1 3.43Å; M475-F511 HydrophobicContact CB-CE2 4.02Å; M475-F511 HydrophobicContact CG-CE2 3.81Å; M475-F511 HydrophobicContact CG-CZ 4.29Å; M475-F511 HydrophobicContact SD-CE1 4.47Å; M475-F511 HydrophobicContact SD-CE2 3.57Å; M475-F511 VanDerWaalsContact SD-CE2 3.57Å; M475-F511 HydrophobicContact SD-CZ 3.43Å; M475-F511 WeakPolarHBondContact SD-CZ 3.44Å | ||
| 476 | K | 90.1 | Very high | 95 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 11% | 0.109 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -85 | 79 | -179.1 | -71.9 | -173.7 | -172 | -179.8 | 0 | 110.4 | A297 A298 V387 E388 G439 D460 | A297-K476 WeakPolarHBondContact CA-O 3.36Å; A297-K476 HydrophobicContact CB-CB 3.59Å; A298-K476 PolarHBondContact N-O 3.19Å; V387-K476 HydrophobicContact CG2-CB 4.06Å; V387-K476 HydrophobicContact CG2-CD 3.42Å; V387-K476 VanDerWaalsContact CG2-CD 3.42Å; V387-K476 HydrophobicContact CG2-CG 4.36Å; V387-K476 PolarHBondContact O-NZ 2.83Å; E388-K476 VanDerWaalsContact CA-NZ 3.32Å; G439-K476 PolarHBondContact O-NZ 3.05Å; D460-K476 HydrophobicContact CB-CD 4.25Å; D460-K476 HydrophobicContact CB-CG 4.27Å; D460-K476 WeakPolarHBondContact OD2-CB 3.38Å |
| 477 | L | 91.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -124.3 | 150.5 | -171.9 | -58.1 | 173.8 | 0 | 0 | 0 | 110.9 | F208 A298 M475 S479 Q480 A481 F511 H513 | F208-L477 HydrophobicContact CE1-CD2 4.38Å; A298-L477 HydrophobicContact CB-CD2 3.47Å; A298-L477 VanDerWaalsContact CB-CD2 3.47Å; M475-L477 VanDerWaalsContact C-N 3.33Å; M475-L477 HydrophobicContact CB-CD1 3.69Å; M475-L477 HydrophobicContact CB-CD2 4.47Å; M475-L477 HydrophobicContact CB-CG 3.7Å; M475-L477 PolarHBondContact O-N 3.06Å; M475-L477 HydrophobicContact SD-CD1 4.33Å; L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 3.15Å; L477-Q480 PolarHBondContact O-N 3.11Å; L477-A481 WeakPolarHBondContact O-CB 3.43Å; L477-A481 PolarHBondContact O-N 3.5Å; L477-F511 HydrophobicContact CD1-CE2 3.8Å; L477-F511 HydrophobicContact CD1-CZ 3.66Å; L477-H513 HydrophobicContact CD1-CB 4.11Å | ||
| 478 | W | 89.6 | Confident | 95.2 | Very high | 27 Ų | 27 | 23.1 Ų | 23.1 | 10% | 0.102 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 175.6 | -69.6 | -1.2 | 0 | 0 | 0 | 112.8 | I22 F83 V85 G300 W303 A481 R482 | I22-W478 HydrophobicContact CG1-CB 4.42Å; I22-W478 HydrophobicContact CG1-CD2 4.32Å; I22-W478 HydrophobicContact CG1-CG 4.14Å; F83-W478 HydrophobicContact CE2-CB 4.09Å; F83-W478 HydrophobicContact CE2-CE3 4.3Å; F83-W478 HydrophobicContact CZ-CB 3.84Å; V85-W478 HydrophobicContact CB-CE3 4.03Å; V85-W478 HydrophobicContact CB-CH2 4.13Å; V85-W478 HydrophobicContact CB-CZ3 3.54Å; V85-W478 HydrophobicContact CG1-CH2 4.48Å; V85-W478 HydrophobicContact CG1-CZ3 4.28Å; V85-W478 HydrophobicContact CG2-CD2 4.13Å; V85-W478 HydrophobicContact CG2-CE3 3.16Å; V85-W478 HydrophobicContact CG2-CH2 4.16Å; V85-W478 HydrophobicContact CG2-CZ3 3.22Å; G300-W478 VanDerWaalsContact CA-CZ3 3.46Å; W303-W478 HydrophobicContact CB-CH2 4.34Å; W478-A481 PolarHBondContact O-N 2.98Å; W478-R482 PolarHBondContact O-N 3.34Å |
| 479 | S | 90.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 19.2 Ų | 19.2 | 12% | 0.119 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -59.7 | -50.3 | 175 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | L477 A481 R482 Q483 | L477-S479 VanDerWaalsContact C-N 3.3Å; L477-S479 PolarHBondContact O-N 3.15Å; S479-A481 VanDerWaalsContact C-N 3.34Å; S479-A481 PolarHBondContact O-N 3.18Å; S479-R482 WeakPolarHBondContact O-CB 3.31Å; S479-R482 PolarHBondContact O-N 3.31Å; S479-Q483 WeakPolarHBondContact O-CG 3.48Å; S479-Q483 PolarHBondContact O-N 2.97Å |
| 480 | Q | 95 | Very high | 95.5 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.019 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -36.2 | 175.7 | -66.5 | -163.7 | 6.1 | 0 | 0 | 112.2 | F473 M475 L477 R482 Q483 M484 | F473-Q480 PolarHBondContact O-NE2 2.85Å; M475-Q480 PolarHBondContact O-OE1 3.43Å; L477-Q480 PolarHBondContact O-N 3.11Å; Q480-R482 VanDerWaalsContact C-N 3.3Å; Q480-R482 PolarHBondContact O-N 2.78Å; Q480-Q483 PolarHBondContact O-N 3.35Å; Q480-M484 WeakPolarHBondContact O-CB 3.39Å; Q480-M484 VanDerWaalsContact O-CG 3.28Å; Q480-M484 WeakPolarHBondContact O-CG 3.44Å; Q480-M484 PolarHBondContact O-N 3.37Å |
| 481 | A | 95.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 5% | 0.05 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | I22 A23 L477 W478 S479 G485 | I22-A481 HydrophobicContact CB-CB 4.43Å; I22-A481 HydrophobicContact CG2-CB 4.45Å; A23-A481 VanDerWaalsContact CA-O 3.29Å; A23-A481 WeakPolarHBondContact CA-O 3.22Å; A23-A481 HydrophobicContact CB-CB 4.16Å; A23-A481 VanDerWaalsContact CB-O 3.26Å; A23-A481 WeakPolarHBondContact CB-O 3.32Å; L477-A481 WeakPolarHBondContact O-CB 3.43Å; L477-A481 PolarHBondContact O-N 3.5Å; W478-A481 PolarHBondContact O-N 2.98Å; S479-A481 VanDerWaalsContact C-N 3.34Å; S479-A481 PolarHBondContact O-N 3.18Å; A481-G485 PolarHBondContact O-N 3.49Å |
| 482 | R | 95.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 16.4 Ų | 16.4 | 20% | 0.2 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.5 | -50.9 | 173.4 | 176.2 | 173.2 | -166.9 | -78.3 | -11 | 111.3 | I22 V26 E81 W478 S479 Q480 M484 G485 F486 | I22-R482 HydrophobicContact CG2-CB 3.96Å; V26-R482 HydrophobicContact CG1-CG 4.06Å; V26-R482 HydrophobicContact CG2-CB 4.23Å; V26-R482 HydrophobicContact CG2-CG 3.83Å; E81-R482 IonicContact OE1-NH1 3.31Å; E81-R482 PolarHBondContact OE1-NH1 3.36Å; E81-R482 IonicContact OE2-CZ 3.34Å; E81-R482 IonicContact OE2-NH1 3.74Å; E81-R482 PolarHBondContact OE2-NH1 3.21Å; W478-R482 PolarHBondContact O-N 3.34Å; S479-R482 WeakPolarHBondContact O-CB 3.31Å; S479-R482 PolarHBondContact O-N 3.31Å; Q480-R482 VanDerWaalsContact C-N 3.3Å; Q480-R482 PolarHBondContact O-N 2.78Å; R482-M484 PolarHBondContact O-N 3.1Å; R482-G485 PolarHBondContact O-N 3.38Å; R482-F486 WeakPolarHBondContact O-CB 3.44Å; R482-F486 PolarHBondContact O-N 3.14Å |
| 483 | Q | 95.8 | Very high | 95.7 | Very high | 17 Ų | 17 | 17 Ų | 17 | 8% | 0.079 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -57 | -47 | 179.2 | -68.5 | 164.4 | -11.6 | 0 | 0 | 111.8 | S479 Q480 F486 Q487 F508 | S479-Q483 WeakPolarHBondContact O-CG 3.48Å; S479-Q483 PolarHBondContact O-N 2.97Å; Q480-Q483 PolarHBondContact O-N 3.35Å; Q483-F486 PolarHBondContact O-N 3.48Å; Q483-Q487 PolarHBondContact O-N 3.48Å; Q483-F508 HydrophobicContact CB-CE1 4.4Å; Q483-F508 HydrophobicContact CB-CE2 4.41Å; Q483-F508 HydrophobicContact CB-CZ 3.94Å |
| 484 | M | 98.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.4 | -40.2 | 176.8 | -66.6 | -176.6 | 85.2 | 0 | 0 | 112.4 | V444 M448 A458 A462 Q480 R482 F486 Q487 A488 F508 | V444-M484 HydrophobicContact CG2-CE 4Å; M448-M484 HydrophobicContact SD-CB 4.17Å; M448-M484 HydrophobicContact SD-CE 3.66Å; M448-M484 HydrophobicContact SD-CG 4.23Å; A458-M484 HydrophobicContact CB-CB 3.82Å; A462-M484 HydrophobicContact CB-CE 3.7Å; Q480-M484 WeakPolarHBondContact O-CB 3.39Å; Q480-M484 VanDerWaalsContact O-CG 3.28Å; Q480-M484 WeakPolarHBondContact O-CG 3.44Å; Q480-M484 PolarHBondContact O-N 3.37Å; R482-M484 PolarHBondContact O-N 3.1Å; M484-F486 VanDerWaalsContact C-N 3.32Å; M484-F486 PolarHBondContact O-N 2.98Å; M484-Q487 PolarHBondContact O-N 3.49Å; M484-A488 WeakPolarHBondContact O-CB 3.3Å; M484-A488 PolarHBondContact O-N 2.87Å; M484-F508 HydrophobicContact CG-CE1 4.02Å; M484-F508 HydrophobicContact CG-CZ 4.03Å |
| 485 | G | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A23 C27 A481 R482 A488 A489 | A23-G485 WeakPolarHBondContact O-CA 3.38Å; C27-G485 WeakPolarHBondContact CA-O 3.1Å; C27-G485 WeakPolarHBondContact CB-O 3.45Å; A481-G485 PolarHBondContact O-N 3.49Å; R482-G485 PolarHBondContact O-N 3.38Å; G485-A488 PolarHBondContact O-N 3.26Å; G485-A489 PolarHBondContact O-N 3.47Å; G485-A489 VanDerWaalsContact O-N 3.1Å |
| 486 | F | 97.5 | Very high | 96.1 | Very high | 59 Ų | 59 | 17.4 Ų | 17.4 | 26% | 0.259 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -64 | -46.4 | 175.1 | 177.3 | -110.7 | 0 | 0 | 0 | 112.5 | V26 T30 R482 Q483 M484 A488 A489 K490 D505 | V26-F486 HydrophobicContact CG1-CB 4.02Å; T30-F486 HydrophobicContact CG2-CD2 3.69Å; T30-F486 HydrophobicContact CG2-CE2 4Å; R482-F486 WeakPolarHBondContact O-CB 3.44Å; R482-F486 PolarHBondContact O-N 3.14Å; Q483-F486 PolarHBondContact O-N 3.48Å; M484-F486 VanDerWaalsContact C-N 3.32Å; M484-F486 PolarHBondContact O-N 2.98Å; F486-A488 PolarHBondContact O-N 3.49Å; F486-A489 PolarHBondContact O-N 3.27Å; F486-K490 HydrophobicContact CD1-CD 4.42Å; F486-K490 HydrophobicContact CE1-CD 4.07Å; F486-K490 HydrophobicContact CZ-CD 4.23Å; F486-K490 PolarHBondContact O-N 2.95Å; F486-K490 VanDerWaalsContact O-N 3.14Å; F486-D505 WeakPolarHBondContact CE1-OD1 3.41Å |
| 487 | Q | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 177 | -175.7 | 63.4 | 15.4 | 0 | 0 | 112.1 | E446 M448 Q483 M484 A489 K490 S491 P503 L504 F508 | E446-Q487 PolarHBondContact O-NE2 2.92Å; M448-Q487 HydrophobicContact CE-CB 4.03Å; M448-Q487 HydrophobicContact CE-CG 3.65Å; M448-Q487 HydrophobicContact CG-CB 4Å; M448-Q487 HydrophobicContact CG-CG 3.85Å; Q483-Q487 PolarHBondContact O-N 3.48Å; M484-Q487 PolarHBondContact O-N 3.49Å; Q487-A489 PolarHBondContact O-N 2.85Å; Q487-K490 PolarHBondContact O-N 3.04Å; Q487-S491 WeakPolarHBondContact O-CB 3.39Å; Q487-S491 PolarHBondContact O-N 3.3Å; Q487-S491 PolarHBondContact O-OG 2.86Å; Q487-P503 PolarHBondContact NE2-O 3.12Å; Q487-L504 HydrophobicContact CG-CD1 4.23Å; Q487-F508 HydrophobicContact CB-CE2 4.11Å; Q487-F508 HydrophobicContact CB-CZ 4.45Å; Q487-F508 HydrophobicContact CG-CE2 4.41Å |
| 488 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M448 A458 M484 G485 F486 S491 M492 | M448-A488 HydrophobicContact CB-CB 3.83Å; M448-A488 HydrophobicContact CG-CB 3.94Å; A458-A488 HydrophobicContact CB-CB 4.06Å; M484-A488 WeakPolarHBondContact O-CB 3.3Å; M484-A488 PolarHBondContact O-N 2.87Å; G485-A488 PolarHBondContact O-N 3.26Å; F486-A488 PolarHBondContact O-N 3.49Å; A488-S491 PolarHBondContact O-N 2.98Å; A488-M492 WeakPolarHBondContact O-CB 3.32Å; A488-M492 WeakPolarHBondContact O-CG 3.39Å; A488-M492 PolarHBondContact O-N 3.11Å |
| 489 | A | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C27 T30 L31 G485 F486 Q487 S491 M492 F493 | C27-A489 WeakPolarHBondContact O-CB 3.5Å; T30-A489 HydrophobicContact CG2-CB 3.61Å; L31-A489 HydrophobicContact CD2-CB 4.42Å; L31-A489 WeakPolarHBondContact CD2-O 3.48Å; L31-A489 HydrophobicContact CG-CB 3.85Å; G485-A489 PolarHBondContact O-N 3.47Å; G485-A489 VanDerWaalsContact O-N 3.1Å; F486-A489 PolarHBondContact O-N 3.27Å; Q487-A489 PolarHBondContact O-N 2.85Å; A489-S491 VanDerWaalsContact C-N 3.35Å; A489-S491 PolarHBondContact O-N 3.13Å; A489-M492 PolarHBondContact O-N 2.81Å; A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.09Å; A489-F493 PolarHBondContact O-N 2.76Å |
| 490 | K | 98.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 29.9 Ų | 29.9 | 27% | 0.265 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57.1 | -48.7 | 175.5 | -75.5 | 179.5 | 171.4 | 175 | 0 | 111.4 | F486 Q487 F493 C494 I502 D505 | F486-K490 HydrophobicContact CD1-CD 4.42Å; F486-K490 HydrophobicContact CE1-CD 4.07Å; F486-K490 HydrophobicContact CZ-CD 4.23Å; F486-K490 PolarHBondContact O-N 2.95Å; F486-K490 VanDerWaalsContact O-N 3.14Å; Q487-K490 PolarHBondContact O-N 3.04Å; K490-F493 PolarHBondContact O-N 2.79Å; K490-C494 WeakPolarHBondContact O-CB 3.41Å; K490-C494 PolarHBondContact O-N 2.88Å; K490-C494 PolarHBondContact O-SG 3.36Å; K490-C494 VanDerWaalsContact O-SG 3.37Å; K490-I502 HydrophobicContact CB-CG2 4.4Å; K490-D505 IonicContact NZ-OD1 3.37Å; K490-D505 PolarHBondContact NZ-OD1 3.48Å |
| 491 | S | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -50.1 | -178.4 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | Q447 Q487 A488 A489 F493 C494 H495 | Q447-S491 WeakPolarHBondContact CA-OG 3.3Å; Q447-S491 WeakPolarHBondContact O-CB 3.4Å; Q447-S491 PolarHBondContact O-OG 3.04Å; Q447-S491 VanDerWaalsContact O-OG 3.11Å; Q487-S491 WeakPolarHBondContact O-CB 3.39Å; Q487-S491 PolarHBondContact O-N 3.3Å; Q487-S491 PolarHBondContact O-OG 2.86Å; A488-S491 PolarHBondContact O-N 2.98Å; A489-S491 VanDerWaalsContact C-N 3.35Å; A489-S491 PolarHBondContact O-N 3.13Å; S491-F493 VanDerWaalsContact C-N 3.32Å; S491-F493 PolarHBondContact O-N 3.05Å; S491-C494 PolarHBondContact O-N 3.16Å; S491-H495 WeakPolarHBondContact O-CB 3.46Å; S491-H495 PolarHBondContact O-CD2 3.47Å; S491-H495 VanDerWaalsContact O-CD2 3.25Å; S491-H495 PolarHBondContact O-N 3.03Å |
| 492 | M | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.1 | -44.9 | 176.2 | -72.9 | 167.6 | 67.2 | 0 | 0 | 112.2 | Y15 L31 K133 C135 Y456 A488 A489 S496 | Y15-M492 HydrophobicContact CD1-CB 4.15Å; Y15-M492 HydrophobicContact CD1-CE 3.81Å; Y15-M492 HydrophobicContact CE1-CB 4.16Å; Y15-M492 HydrophobicContact CG-CE 4.41Å; L31-M492 HydrophobicContact CD1-CE 4.05Å; L31-M492 HydrophobicContact CD2-CB 4.37Å; K133-M492 HydrophobicContact CB-CB 4.46Å; K133-M492 HydrophobicContact CB-CE 3.88Å; K133-M492 HydrophobicContact CB-CG 4.32Å; C135-M492 HydrophobicContact CB-CE 4.09Å; C135-M492 HydrophobicContact CB-SD 3.61Å; Y456-M492 HydrophobicContact CD1-CG 3.96Å; Y456-M492 HydrophobicContact CD2-CG 3.42Å; Y456-M492 VanDerWaalsContact CD2-CG 3.42Å; Y456-M492 HydrophobicContact CD2-SD 4.1Å; Y456-M492 HydrophobicContact CE1-CG 4.03Å; Y456-M492 HydrophobicContact CE2-CG 3.56Å; Y456-M492 HydrophobicContact CG-CG 3.67Å; Y456-M492 HydrophobicContact CG-SD 4.21Å; A488-M492 WeakPolarHBondContact O-CB 3.32Å; A488-M492 WeakPolarHBondContact O-CG 3.39Å; A488-M492 PolarHBondContact O-N 3.11Å; A489-M492 PolarHBondContact O-N 2.81Å; M492-S496 PolarHBondContact O-N 2.8Å; M492-S496 VanDerWaalsContact O-N 3.12Å |
| 493 | F | 97.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -54.7 | 179.8 | 178.2 | -94.9 | 0 | 0 | 0 | 111.7 | L31 L34 L35 Y53 A489 K490 S491 H495 S496 Q497 | L31-F493 HydrophobicContact CD2-CB 4.1Å; L34-F493 HydrophobicContact CB-CD1 4.34Å; L34-F493 HydrophobicContact CB-CD2 3.67Å; L34-F493 HydrophobicContact CB-CE1 4.32Å; L34-F493 HydrophobicContact CB-CE2 3.61Å; L34-F493 HydrophobicContact CB-CG 4.01Å; L34-F493 HydrophobicContact CB-CZ 3.94Å; L34-F493 HydrophobicContact CD1-CB 3.88Å; L34-F493 HydrophobicContact CD1-CD1 4.18Å; L34-F493 HydrophobicContact CD1-CD2 4.36Å; L34-F493 HydrophobicContact CD1-CG 3.91Å; L34-F493 WeakPolarHBondContact O-CE2 3.2Å; L34-F493 WeakPolarHBondContact O-CZ 3.4Å; L35-F493 HydrophobicContact CD2-CD2 4.17Å; L35-F493 HydrophobicContact CD2-CE2 3.91Å; L35-F493 HydrophobicContact CG-CD2 4.44Å; L35-F493 HydrophobicContact CG-CE2 4.3Å; Y53-F493 AromaticContact CE1-CE2 3.58Å; Y53-F493 HydrophobicContact CE1-CE2 3.58Å; Y53-F493 AromaticContact CE1-CZ 3.61Å; Y53-F493 HydrophobicContact CE1-CZ 3.61Å; Y53-F493 AromaticContact CZ-CZ 3.79Å; Y53-F493 WeakPolarHBondContact OH-CZ 3.39Å; A489-F493 VanDerWaalsContact O-CB 3.26Å; A489-F493 WeakPolarHBondContact O-CB 3.09Å; A489-F493 PolarHBondContact O-N 2.76Å; K490-F493 PolarHBondContact O-N 2.79Å; S491-F493 VanDerWaalsContact C-N 3.32Å; S491-F493 PolarHBondContact O-N 3.05Å; F493-H495 PolarHBondContact O-N 2.88Å; F493-S496 VanDerWaalsContact O-CB 3.31Å; F493-S496 WeakPolarHBondContact O-CB 3.35Å; F493-S496 PolarHBondContact O-N 3.27Å; F493-S496 VanDerWaalsContact O-N 3.08Å; F493-S496 PolarHBondContact O-OG 3.12Å; F493-Q497 PolarHBondContact O-N 3.45Å |
| 494 | C | 97.6 | Very high | 96.6 | Very high | 30 Ų | 30 | 40.1 Ų | 40.1 | 20% | 0.203 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.4 | -38.9 | -177.7 | -64.1 | 0 | 0 | 0 | 0 | 112 | K490 S491 S496 Q497 G498 D499 I502 | K490-C494 WeakPolarHBondContact O-CB 3.41Å; K490-C494 PolarHBondContact O-N 2.88Å; K490-C494 PolarHBondContact O-SG 3.36Å; K490-C494 VanDerWaalsContact O-SG 3.37Å; S491-C494 PolarHBondContact O-N 3.16Å; C494-S496 PolarHBondContact O-N 3.39Å; C494-Q497 CarbonylContact O-C 3.58Å; C494-Q497 WeakPolarHBondContact O-CA 3.34Å; C494-Q497 WeakPolarHBondContact O-CB 2.91Å; C494-Q497 PolarHBondContact O-N 2.84Å; C494-G498 PolarHBondContact O-N 3.42Å; C494-D499 CarbonylContact C-O 3.53Å; C494-D499 HydrophobicContact CB-CB 4.2Å; C494-D499 PolarHBondContact O-N 3.21Å; C494-D499 VanDerWaalsContact O-N 3.1Å; C494-D499 VanDerWaalsContact O-O 3.13Å; C494-I502 HydrophobicContact CB-CD1 3.21Å; C494-I502 HydrophobicContact CB-CG1 3.77Å |
| 495 | H | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.037 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -25.8 | 174.2 | -72.6 | -165.9 | 0 | 0 | 0 | 112.1 | Q447 E449 Y456 S491 F493 Q497 G498 D499 H500 | Q447-H495 PolarHBondContact OE1-NE2 3.15Å; E449-H495 VanDerWaalsContact CD-CE1 3.45Å; E449-H495 IonicContact OE1-CE1 3.54Å; E449-H495 PolarHBondContact OE1-CE1 2.93Å; E449-H495 VanDerWaalsContact OE1-CE1 3.31Å; E449-H495 IonicContact OE1-ND1 3.58Å; E449-H495 PolarHBondContact OE1-ND1 2.92Å; E449-H495 IonicContact OE2-CE1 3.4Å; Y456-H495 AromaticContact CZ-ND1 3.78Å; Y456-H495 PolarHBondContact OH-ND1 3.33Å; S491-H495 WeakPolarHBondContact O-CB 3.46Å; S491-H495 PolarHBondContact O-CD2 3.47Å; S491-H495 VanDerWaalsContact O-CD2 3.25Å; S491-H495 PolarHBondContact O-N 3.03Å; F493-H495 PolarHBondContact O-N 2.88Å; H495-Q497 VanDerWaalsContact C-N 3.27Å; H495-G498 PolarHBondContact O-N 2.84Å; H495-D499 WeakPolarHBondContact CA-O 3.49Å; H495-D499 PolarHBondContact CD2-O 2.83Å; H495-D499 PolarHBondContact N-O 3.39Å; H495-H500 AromaticContact CD2-ND1 3.62Å; H495-H500 AromaticContact CE1-ND1 3.99Å; H495-H500 AromaticContact CG-ND1 3.6Å; H495-H500 AromaticContact ND1-ND1 3.84Å; H495-H500 AromaticContact NE2-ND1 3.83Å |
| 496 | S | 95.5 | Very high | 96.2 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -73.3 | -20.4 | 172.4 | 87.5 | 0 | 0 | 0 | 0 | 113.3 | Y15 K56 M492 F493 C494 | Y15-S496 WeakPolarHBondContact OH-CB 3.14Å; Y15-S496 PolarHBondContact OH-OG 2.94Å; K56-S496 PolarHBondContact NZ-OG 2.88Å; M492-S496 PolarHBondContact O-N 2.8Å; M492-S496 VanDerWaalsContact O-N 3.12Å; F493-S496 VanDerWaalsContact O-CB 3.31Å; F493-S496 WeakPolarHBondContact O-CB 3.35Å; F493-S496 PolarHBondContact O-N 3.27Å; F493-S496 VanDerWaalsContact O-N 3.08Å; F493-S496 PolarHBondContact O-OG 3.12Å; C494-S496 PolarHBondContact O-N 3.39Å |
| 497 | Q | 93 | Very high | 95.9 | Very high | 85 Ų | 85 | 45 Ų | 45 | 40% | 0.397 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.3 | 177.2 | -53.4 | -64.3 | -9 | 0 | 0 | 112.1 | F493 C494 H495 | F493-Q497 PolarHBondContact O-N 3.45Å; C494-Q497 CarbonylContact O-C 3.58Å; C494-Q497 WeakPolarHBondContact O-CA 3.34Å; C494-Q497 WeakPolarHBondContact O-CB 2.91Å; C494-Q497 PolarHBondContact O-N 2.84Å; H495-Q497 VanDerWaalsContact C-N 3.27Å |
| 498 | G | 94.8 | Very high | 95.8 | Very high | 54 Ų | 54 | 45 Ų | 45 | 56% | 0.557 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 7.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | C494 H495 H500 | C494-G498 PolarHBondContact O-N 3.42Å; H495-G498 PolarHBondContact O-N 2.84Å; G498-H500 PolarHBondContact O-CD2 2.97Å |
| 499 | D | 95 | Very high | 95.6 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | trans | -88.1 | 123.1 | 168.7 | -176.6 | 6.3 | 0 | 0 | 0 | 109.1 | C494 H495 N501 I502 | C494-D499 CarbonylContact C-O 3.53Å; C494-D499 HydrophobicContact CB-CB 4.2Å; C494-D499 PolarHBondContact O-N 3.21Å; C494-D499 VanDerWaalsContact O-N 3.1Å; C494-D499 VanDerWaalsContact O-O 3.13Å; H495-D499 WeakPolarHBondContact CA-O 3.49Å; H495-D499 PolarHBondContact CD2-O 2.83Å; H495-D499 PolarHBondContact N-O 3.39Å; D499-N501 PolarHBondContact OD1-N 3.13Å; D499-N501 VanDerWaalsContact OD1-N 3.12Å; D499-I502 HydrophobicContact CB-CD1 4.3Å | ||
| 500 | H | 93.7 | Very high | 95.5 | Very high | 111 Ų | 111 | 48.9 Ų | 48.9 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | trans | -119 | 10.1 | -174.7 | -70.2 | -71.6 | 0 | 0 | 0 | 113.2 | Q447 H495 G498 | Q447-H500 PolarHBondContact NE2-O 2.68Å; Q447-H500 PolarHBondContact OE1-O 3.17Å; H495-H500 AromaticContact CD2-ND1 3.62Å; H495-H500 AromaticContact CE1-ND1 3.99Å; H495-H500 AromaticContact CG-ND1 3.6Å; H495-H500 AromaticContact ND1-ND1 3.84Å; H495-H500 AromaticContact NE2-ND1 3.83Å; G498-H500 PolarHBondContact O-CD2 2.97Å | ||
| 501 | N | 93.8 | Very high | 95.4 | Very high | 134 Ų | 134 | 46 Ų | 46 | 72% | 0.717 | 26% | 0.255 | S | S | * | . | trans | -114.5 | 67.7 | -178.2 | -174.3 | 36.3 | 0 | 0 | 0 | 110.3 | D499 P503 | D499-N501 PolarHBondContact OD1-N 3.13Å; D499-N501 VanDerWaalsContact OD1-N 3.12Å; N501-P503 WeakPolarHBondContact O-CD 3.49Å | ||
| 502 | I | 94.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 46.5 Ų | 46.5 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | trans | -97.3 | 109.4 | -175.5 | -44.5 | -45.2 | 0 | 0 | 0 | 107.8 | Q447 K490 C494 D499 | Q447-I502 HydrophobicContact CG-CB 4.39Å; Q447-I502 VanDerWaalsContact OE1-CB 3.26Å; Q447-I502 VanDerWaalsContact OE1-CG1 3.31Å; K490-I502 HydrophobicContact CB-CG2 4.4Å; C494-I502 HydrophobicContact CB-CD1 3.21Å; C494-I502 HydrophobicContact CB-CG1 3.77Å; D499-I502 HydrophobicContact CB-CD1 4.3Å | ||
| 503 | P | 94.4 | Very high | 95.1 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 148.8 | -179.3 | 26.5 | -33.7 | 0 | 0 | 0 | 110.2 | Q487 N501 | Q487-P503 PolarHBondContact NE2-O 3.12Å; N501-P503 WeakPolarHBondContact O-CD 3.49Å |
| 504 | L | 94.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 46.3 Ų | 46.3 | 23% | 0.23 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 136.9 | 170.6 | -168.9 | 65.4 | 0 | 0 | 0 | 108.8 | E446 M448 W466 Q487 F508 | E446-L504 HydrophobicContact CB-CB 4.44Å; E446-L504 HydrophobicContact CB-CD1 4.44Å; E446-L504 VanDerWaalsContact O-CD1 3.23Å; E446-L504 WeakPolarHBondContact O-CD1 3.45Å; M448-L504 HydrophobicContact CE-CD1 4.05Å; W466-L504 HydrophobicContact CD2-CD2 4.49Å; W466-L504 HydrophobicContact CZ2-CD1 4.43Å; W466-L504 HydrophobicContact CZ2-CD2 4.22Å; Q487-L504 HydrophobicContact CG-CD1 4.23Å; L504-F508 HydrophobicContact CD1-CB 4.35Å; L504-F508 HydrophobicContact CD1-CD2 3.45Å; L504-F508 VanDerWaalsContact CD1-CD2 3.45Å; L504-F508 HydrophobicContact CD1-CE2 3.79Å; L504-F508 HydrophobicContact CD1-CG 3.88Å; L504-F508 HydrophobicContact CD1-CZ 4.49Å; L504-F508 HydrophobicContact CD2-CB 3.49Å; L504-F508 VanDerWaalsContact CD2-CB 3.49Å; L504-F508 HydrophobicContact CD2-CD2 4.19Å; L504-F508 HydrophobicContact CD2-CG 3.93Å; L504-F508 HydrophobicContact CG-CB 3.77Å; L504-F508 HydrophobicContact CG-CD2 3.55Å; L504-F508 HydrophobicContact CG-CE2 4.37Å; L504-F508 HydrophobicContact CG-CG 3.83Å |
| 505 | D | 93.9 | Very high | 94.4 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 145.7 | 179.4 | -169.5 | 85.2 | 0 | 0 | 0 | 111.2 | F486 K490 S507 F508 | F486-D505 WeakPolarHBondContact CE1-OD1 3.41Å; K490-D505 IonicContact NZ-OD1 3.37Å; K490-D505 PolarHBondContact NZ-OD1 3.48Å; D505-S507 PolarHBondContact O-N 3.37Å; D505-S507 WeakPolarHBondContact OD2-CB 3.39Å; D505-S507 PolarHBondContact OD2-N 3.25Å; D505-S507 PolarHBondContact OD2-OG 2.88Å; D505-F508 HydrophobicContact CB-CD2 4.08Å; D505-F508 HydrophobicContact CB-CE2 4.17Å; D505-F508 WeakPolarHBondContact O-CD2 3.48Å; D505-F508 PolarHBondContact O-N 3.48Å |
| 506 | F | 92.7 | Very high | 94 | Very high | 112 Ų | 112 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -58.7 | -23.7 | -178.1 | -170.8 | -106.4 | 0 | 0 | 0 | 112.3 | M79 F508 E509 L582 | M79-F506 HydrophobicContact CE-CD1 4.25Å; M79-F506 HydrophobicContact CE-CE1 4.42Å; M79-F506 WeakPolarHBondContact CE-O 3.19Å; M79-F506 HydrophobicContact CG-CD1 4.21Å; M79-F506 HydrophobicContact CG-CE1 4.08Å; M79-F506 HydrophobicContact SD-CD1 3.31Å; M79-F506 WeakPolarHBondContact SD-CD1 3.42Å; M79-F506 HydrophobicContact SD-CE1 3.72Å; M79-F506 HydrophobicContact SD-CG 4.26Å; F506-F508 PolarHBondContact O-N 3.09Å; F506-E509 HydrophobicContact CD2-CB 4.34Å; F506-E509 HydrophobicContact CD2-CG 3.67Å; F506-E509 HydrophobicContact CE2-CB 4.23Å; F506-E509 HydrophobicContact CE2-CG 3.83Å; F506-E509 HydrophobicContact CG-CG 4.36Å; F506-E509 WeakPolarHBondContact O-CB 3.33Å; F506-E509 WeakPolarHBondContact O-CG 3.41Å; F506-E509 PolarHBondContact O-N 3.22Å; F506-L582 HydrophobicContact CE1-CD1 3.8Å; F506-L582 HydrophobicContact CE1-CD2 4.17Å; F506-L582 HydrophobicContact CZ-CD1 3.92Å; F506-L582 HydrophobicContact CZ-CD2 3.76Å; F506-L582 HydrophobicContact CZ-CG 4.39Å |
| 507 | S | 92.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 46.9 Ų | 46.9 | 8% | 0.077 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -54.9 | -14.4 | 172.8 | 56.9 | 0 | 0 | 0 | 0 | 115.8 | M79 D505 | M79-S507 VanDerWaalsContact CE-CA 3.47Å; M79-S507 VanDerWaalsContact SD-CA 3.6Å; D505-S507 PolarHBondContact O-N 3.37Å; D505-S507 WeakPolarHBondContact OD2-CB 3.39Å; D505-S507 PolarHBondContact OD2-N 3.25Å; D505-S507 PolarHBondContact OD2-OG 2.88Å |
| 508 | F | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -95.2 | 4.5 | 175.9 | -62.4 | -80.4 | 0 | 0 | 0 | 114.4 | M448 W466 W472 Q483 M484 Q487 L504 D505 F506 | M448-F508 HydrophobicContact CE-CE2 4.45Å; M448-F508 HydrophobicContact CE-CZ 4.03Å; W466-F508 HydrophobicContact CH2-CD1 4.18Å; W466-F508 HydrophobicContact CH2-CE1 4.07Å; W466-F508 AromaticContact CZ2-CD1 3.65Å; W466-F508 HydrophobicContact CZ2-CD1 3.65Å; W466-F508 HydrophobicContact CZ2-CE1 4.03Å; W466-F508 HydrophobicContact CZ2-CG 4.25Å; W472-F508 WeakPolarHBondContact CB-O 3.29Å; W472-F508 AromaticContact CE2-CD1 3.75Å; W472-F508 HydrophobicContact CH2-CD1 4.24Å; W472-F508 AromaticContact CZ2-CD1 3.57Å; W472-F508 HydrophobicContact CZ2-CD1 3.57Å; W472-F508 AromaticContact CZ2-CE1 4Å; W472-F508 HydrophobicContact CZ2-CE1 4Å; W472-F508 AromaticContact NE1-CD1 3.91Å; Q483-F508 HydrophobicContact CB-CE1 4.4Å; Q483-F508 HydrophobicContact CB-CE2 4.41Å; Q483-F508 HydrophobicContact CB-CZ 3.94Å; M484-F508 HydrophobicContact CG-CE1 4.02Å; M484-F508 HydrophobicContact CG-CZ 4.03Å; Q487-F508 HydrophobicContact CB-CE2 4.11Å; Q487-F508 HydrophobicContact CB-CZ 4.45Å; Q487-F508 HydrophobicContact CG-CE2 4.41Å; L504-F508 HydrophobicContact CD1-CB 4.35Å; L504-F508 HydrophobicContact CD1-CD2 3.45Å; L504-F508 VanDerWaalsContact CD1-CD2 3.45Å; L504-F508 HydrophobicContact CD1-CE2 3.79Å; L504-F508 HydrophobicContact CD1-CG 3.88Å; L504-F508 HydrophobicContact CD1-CZ 4.49Å; L504-F508 HydrophobicContact CD2-CB 3.49Å; L504-F508 VanDerWaalsContact CD2-CB 3.49Å; L504-F508 HydrophobicContact CD2-CD2 4.19Å; L504-F508 HydrophobicContact CD2-CG 3.93Å; L504-F508 HydrophobicContact CG-CB 3.77Å; L504-F508 HydrophobicContact CG-CD2 3.55Å; L504-F508 HydrophobicContact CG-CE2 4.37Å; L504-F508 HydrophobicContact CG-CG 3.83Å; D505-F508 HydrophobicContact CB-CD2 4.08Å; D505-F508 HydrophobicContact CB-CE2 4.17Å; D505-F508 WeakPolarHBondContact O-CD2 3.48Å; D505-F508 PolarHBondContact O-N 3.48Å; F506-F508 PolarHBondContact O-N 3.09Å |
| 509 | E | 95.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 43.9 Ų | 43.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -84.7 | -33.5 | 177.5 | -67.8 | -65.2 | 162.5 | 0 | 0 | 113.4 | M79 S469 F506 L582 | M79-E509 HydrophobicContact CE-CB 4.47Å; S469-E509 WeakPolarHBondContact CB-O 3.11Å; S469-E509 VanDerWaalsContact CB-OE2 3.23Å; S469-E509 WeakPolarHBondContact CB-OE2 3.42Å; S469-E509 VanDerWaalsContact OG-CD 3.23Å; S469-E509 PolarHBondContact OG-OE2 3.15Å; F506-E509 HydrophobicContact CD2-CB 4.34Å; F506-E509 HydrophobicContact CD2-CG 3.67Å; F506-E509 HydrophobicContact CE2-CB 4.23Å; F506-E509 HydrophobicContact CE2-CG 3.83Å; F506-E509 HydrophobicContact CG-CG 4.36Å; F506-E509 WeakPolarHBondContact O-CB 3.33Å; F506-E509 WeakPolarHBondContact O-CG 3.41Å; F506-E509 PolarHBondContact O-N 3.22Å; E509-L582 HydrophobicContact CB-CD2 4.17Å |
| 510 | L | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -132.4 | 130.1 | -177.3 | 177.4 | 69.2 | 0 | 0 | 0 | 110.3 | M79 H471 T512 G526 E578 I581 L582 | M79-L510 HydrophobicContact CE-CB 3.69Å; H471-L510 HydrophobicContact CB-CD1 3.68Å; L510-T512 HydrophobicContact CD2-CG2 3.83Å; L510-T512 HydrophobicContact CG-CG2 3.97Å; L510-T512 PolarHBondContact O-N 3.44Å; L510-G526 VanDerWaalsContact CD1-CA 3.4Å; L510-E578 HydrophobicContact CD2-CB 4.24Å; L510-E578 HydrophobicContact CD2-CG 3.79Å; L510-I581 HydrophobicContact CD1-CB 4.24Å; L510-I581 HydrophobicContact CD1-CG2 3.56Å; L510-L582 HydrophobicContact CB-CD2 3.77Å; L510-L582 HydrophobicContact CB-CG 4.32Å; L510-L582 HydrophobicContact CD2-CD1 4.38Å; L510-L582 HydrophobicContact CD2-CD2 4.48Å; L510-L582 HydrophobicContact CD2-CG 4.1Å |
| 511 | F | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -66.7 | 120 | 168.4 | -179.8 | -86.5 | 0 | 0 | 0 | 109.8 | H471 F473 M475 L477 H513 L524 L525 G526 F528 | H471-F511 WeakPolarHBondContact O-CB 3.35Å; H471-F511 PolarHBondContact O-N 2.87Å; F473-F511 HydrophobicContact CD1-CB 4.22Å; F473-F511 HydrophobicContact CD1-CD2 4.49Å; F473-F511 HydrophobicContact CD1-CG 4.45Å; F473-F511 HydrophobicContact CD2-CD2 4.15Å; F473-F511 HydrophobicContact CD2-CE2 4.41Å; F473-F511 HydrophobicContact CE1-CB 3.9Å; F473-F511 HydrophobicContact CE1-CD1 4.39Å; F473-F511 HydrophobicContact CE1-CD2 4.22Å; F473-F511 AromaticContact CE1-CG 3.9Å; F473-F511 HydrophobicContact CE1-CG 3.9Å; F473-F511 AromaticContact CE2-CD2 3.87Å; F473-F511 HydrophobicContact CE2-CD2 3.87Å; F473-F511 AromaticContact CE2-CE2 3.92Å; F473-F511 HydrophobicContact CE2-CE2 3.92Å; F473-F511 HydrophobicContact CE2-CG 4.26Å; F473-F511 HydrophobicContact CE2-CZ 4.37Å; F473-F511 HydrophobicContact CG-CD2 4.45Å; F473-F511 HydrophobicContact CZ-CB 4.31Å; F473-F511 HydrophobicContact CZ-CD1 4.03Å; F473-F511 AromaticContact CZ-CD2 3.89Å; F473-F511 HydrophobicContact CZ-CD2 3.89Å; F473-F511 HydrophobicContact CZ-CE1 4.36Å; F473-F511 HydrophobicContact CZ-CE2 4.21Å; F473-F511 AromaticContact CZ-CG 3.79Å; F473-F511 HydrophobicContact CZ-CG 3.79Å; F473-F511 HydrophobicContact CZ-CZ 4.44Å; F473-F511 WeakPolarHBondContact O-CD2 3.26Å; M475-F511 HydrophobicContact CB-CE2 4.02Å; M475-F511 HydrophobicContact CG-CE2 3.81Å; M475-F511 HydrophobicContact CG-CZ 4.29Å; M475-F511 HydrophobicContact SD-CE1 4.47Å; M475-F511 HydrophobicContact SD-CE2 3.57Å; M475-F511 VanDerWaalsContact SD-CE2 3.57Å; M475-F511 HydrophobicContact SD-CZ 3.43Å; M475-F511 WeakPolarHBondContact SD-CZ 3.44Å; L477-F511 HydrophobicContact CD1-CE2 3.8Å; L477-F511 HydrophobicContact CD1-CZ 3.66Å; F511-H513 HydrophobicContact CE1-CB 3.72Å; F511-H513 HydrophobicContact CZ-CB 3.81Å; F511-L524 HydrophobicContact CE1-CB 4.09Å; F511-L525 CarbonylContact O-C 3.53Å; F511-L525 WeakPolarHBondContact O-CA 3.48Å; F511-G526 PolarHBondContact O-N 2.6Å; F511-F528 AromaticContact CD1-CD1 3.89Å; F511-F528 HydrophobicContact CD1-CD1 3.89Å; F511-F528 AromaticContact CD1-CE1 3.91Å; F511-F528 HydrophobicContact CD1-CE1 3.91Å; F511-F528 AromaticContact CE1-CD1 3.8Å; F511-F528 HydrophobicContact CE1-CD1 3.8Å; F511-F528 AromaticContact CE1-CE1 3.43Å; F511-F528 HydrophobicContact CE1-CE1 3.43Å; F511-F528 VanDerWaalsContact CE1-CE1 3.43Å; F511-F528 HydrophobicContact CZ-CE1 4.04Å | ||
| 512 | T | 95.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 30.9 Ų | 30.9 | 6% | 0.061 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.4 | 172.4 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | M79 I80 L510 L524 L525 | M79-T512 HydrophobicContact CB-CG2 3.67Å; M79-T512 PolarHBondContact O-OG1 2.93Å; I80-T512 HydrophobicContact CG1-CG2 3.97Å; L510-T512 HydrophobicContact CD2-CG2 3.83Å; L510-T512 HydrophobicContact CG-CG2 3.97Å; L510-T512 PolarHBondContact O-N 3.44Å; T512-L524 WeakPolarHBondContact CA-O 3.38Å; T512-L525 HydrophobicContact CG2-CD2 3.92Å |
| 513 | H | 94.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 3% | 0.032 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 133.2 | 174.1 | -175.2 | 49.6 | 0 | 0 | 0 | 111.2 | F208 L477 F511 V523 L524 | F208-H513 AromaticContact CE1-CD2 3.97Å; L477-H513 HydrophobicContact CD1-CB 4.11Å; F511-H513 HydrophobicContact CE1-CB 3.72Å; F511-H513 HydrophobicContact CZ-CB 3.81Å; H513-V523 WeakPolarHBondContact O-CA 3.27Å; H513-L524 HydrophobicContact CB-CB 4.38Å; H513-L524 PolarHBondContact N-O 3.49Å; H513-L524 PolarHBondContact O-N 2.93Å |
| 514 | V | 92.8 | Very high | 92.5 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 131.5 | 169.7 | -172.1 | 0 | 0 | 0 | 0 | 108.8 | I80 T82 Y516 K521 I522 V523 | I80-V514 HydrophobicContact CG2-CG2 3.41Å; I80-V514 VanDerWaalsContact CG2-CG2 3.41Å; T82-V514 HydrophobicContact CG2-CB 3.77Å; T82-V514 HydrophobicContact CG2-CG1 3.7Å; T82-V514 HydrophobicContact CG2-CG2 3.8Å; V514-Y516 HydrophobicContact CG1-CE2 4.31Å; V514-K521 HydrophobicContact CG1-CG 4.11Å; V514-I522 CarbonylContact C-O 3.59Å; V514-I522 VanDerWaalsContact CA-O 3.28Å; V514-I522 WeakPolarHBondContact CA-O 3.47Å; V514-V523 HydrophobicContact CG1-CG2 4.35Å; V514-V523 HydrophobicContact CG2-CG1 4.34Å; V514-V523 HydrophobicContact CG2-CG2 4.14Å |
| 515 | T | 89.7 | Confident | 92.7 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 174.1 | 172.9 | -167.4 | 0 | 0 | 0 | 0 | 110.2 | F517 I522 | T515-F517 HydrophobicContact CG2-CD2 4.38Å; T515-F517 HydrophobicContact CG2-CE1 4.21Å; T515-F517 HydrophobicContact CG2-CE2 3.97Å; T515-F517 HydrophobicContact CG2-CZ 3.85Å; T515-I522 HydrophobicContact CG2-CB 4.05Å; T515-I522 HydrophobicContact CG2-CG2 4.43Å; T515-I522 PolarHBondContact N-O 2.7Å; T515-I522 PolarHBondContact O-N 3.49Å |
| 516 | Y | 88.7 | Confident | 92.8 | Very high | 88 Ų | 88 | 21.3 Ų | 21.3 | 35% | 0.345 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 119.7 | 178.7 | -65.9 | -97.3 | 0 | 0 | 0 | 109.8 | P301 V514 F520 K521 | P301-Y516 HydrophobicContact CB-CD2 4.37Å; V514-Y516 HydrophobicContact CG1-CE2 4.31Å; Y516-F520 VanDerWaalsContact CA-O 3.24Å; Y516-F520 WeakPolarHBondContact CA-O 3.45Å; Y516-K521 HydrophobicContact CD1-CB 4.12Å; Y516-K521 HydrophobicContact CE1-CB 3.62Å; Y516-K521 HydrophobicContact CE1-CG 3.9Å |
| 517 | F | 88.6 | Confident | 93 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.7 | 171.6 | -59.6 | -34.7 | 0 | 0 | 0 | 109.9 | T184 E185 F208 L209 L217 T515 G519 F520 I522 | T184-F517 HydrophobicContact CG2-CB 3.86Å; T184-F517 HydrophobicContact CG2-CD1 3.57Å; T184-F517 HydrophobicContact CG2-CD2 3.82Å; T184-F517 HydrophobicContact CG2-CE1 4.06Å; T184-F517 HydrophobicContact CG2-CE2 4.25Å; T184-F517 HydrophobicContact CG2-CG 3.48Å; T184-F517 VanDerWaalsContact CG2-CG 3.48Å; T184-F517 HydrophobicContact CG2-CZ 4.38Å; E185-F517 HydrophobicContact CG-CD1 3.82Å; E185-F517 HydrophobicContact CG-CE1 3.78Å; F208-F517 HydrophobicContact CB-CE2 3.96Å; F208-F517 AromaticContact CD2-CE2 3.96Å; F208-F517 HydrophobicContact CD2-CE2 3.96Å; F208-F517 AromaticContact CD2-CZ 3.94Å; F208-F517 HydrophobicContact CD2-CZ 3.94Å; F208-F517 HydrophobicContact CE2-CZ 4.32Å; F208-F517 AromaticContact CG-CE2 3.96Å; F208-F517 HydrophobicContact CG-CE2 3.96Å; F208-F517 HydrophobicContact CG-CZ 4.18Å; L209-F517 HydrophobicContact CD1-CD2 4.35Å; L217-F517 HydrophobicContact CD1-CB 4.2Å; T515-F517 HydrophobicContact CG2-CD2 4.38Å; T515-F517 HydrophobicContact CG2-CE1 4.21Å; T515-F517 HydrophobicContact CG2-CE2 3.97Å; T515-F517 HydrophobicContact CG2-CZ 3.85Å; F517-G519 PolarHBondContact O-N 3.36Å; F517-G519 VanDerWaalsContact O-N 3.17Å; F517-F520 PolarHBondContact N-O 3.33Å; F517-F520 VanDerWaalsContact N-O 3.13Å; F517-F520 PolarHBondContact O-N 3.34Å; F517-I522 HydrophobicContact CB-CD1 3.71Å; F517-I522 HydrophobicContact CD2-CD1 3.53Å; F517-I522 HydrophobicContact CE2-CD1 4.46Å; F517-I522 HydrophobicContact CG-CD1 3.91Å |
| 518 | F | 83 | Confident | 93.2 | Very high | 11 Ų | 11 | 18 Ų | 18 | 5% | 0.048 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 31.1 | 179.5 | -56.9 | -83.8 | 0 | 0 | 0 | 114.2 | T184 H188 I204 L217 R221 F520 | T184-F518 HydrophobicContact CG2-CD2 4.46Å; T184-F518 HydrophobicContact CG2-CE2 3.75Å; T184-F518 HydrophobicContact CG2-CZ 4.36Å; H188-F518 HydrophobicContact CB-CD1 4.04Å; H188-F518 HydrophobicContact CB-CE1 4.11Å; H188-F518 AromaticContact CG-CD1 3.88Å; H188-F518 AromaticContact ND1-CD1 3.51Å; H188-F518 WeakPolarHBondContact NE2-CA 3.39Å; I204-F518 HydrophobicContact CD1-CE2 3.82Å; I204-F518 HydrophobicContact CD1-CZ 3.91Å; L217-F518 HydrophobicContact CB-CD2 3.93Å; L217-F518 HydrophobicContact CB-CE2 4.46Å; L217-F518 HydrophobicContact CD1-CD2 4Å; L217-F518 HydrophobicContact CG-CD2 4.43Å; R221-F518 HydrophobicContact CB-CD1 4.25Å; R221-F518 HydrophobicContact CG-CD1 4.04Å; F518-F520 VanDerWaalsContact C-N 3.26Å; F518-F520 HydrophobicContact CB-CD2 4.49Å; F518-F520 WeakPolarHBondContact O-CD2 3.19Å; F518-F520 PolarHBondContact O-N 3.47Å |
| 519 | G | 83.3 | Confident | 93 | Very high | 65 Ų | 65 | 19.1 Ų | 19.1 | 67% | 0.67 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | -1.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F517 | F517-G519 PolarHBondContact O-N 3.36Å; F517-G519 VanDerWaalsContact O-N 3.17Å |
| 520 | F | 90.7 | Very high | 92.8 | Very high | 34 Ų | 34 | 15.5 Ų | 15.5 | 15% | 0.149 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135 | 176.6 | -70.4 | -89.4 | 0 | 0 | 0 | 111.2 | F216 L217 A220 Y516 F517 F518 R550 I568 | F216-F520 HydrophobicContact CE1-CE1 4.4Å; F216-F520 HydrophobicContact CZ-CE1 4.48Å; L217-F520 HydrophobicContact CD2-CB 4.05Å; L217-F520 HydrophobicContact CD2-CD2 3.72Å; L217-F520 HydrophobicContact CD2-CG 4.01Å; A220-F520 HydrophobicContact CB-CE2 3.52Å; A220-F520 HydrophobicContact CB-CZ 3.62Å; Y516-F520 VanDerWaalsContact CA-O 3.24Å; Y516-F520 WeakPolarHBondContact CA-O 3.45Å; F517-F520 PolarHBondContact N-O 3.33Å; F517-F520 VanDerWaalsContact N-O 3.13Å; F517-F520 PolarHBondContact O-N 3.34Å; F518-F520 VanDerWaalsContact C-N 3.26Å; F518-F520 HydrophobicContact CB-CD2 4.49Å; F518-F520 WeakPolarHBondContact O-CD2 3.19Å; F518-F520 PolarHBondContact O-N 3.47Å; F520-R550 WeakPolarHBondContact CE1-O 3.19Å; F520-I568 HydrophobicContact CB-CG2 3.58Å; F520-I568 HydrophobicContact CD1-CG2 3.98Å; F520-I568 HydrophobicContact CG-CG2 3.88Å |
| 521 | K | 92 | Very high | 92.5 | Very high | 18 Ų | 18 | 17.6 Ų | 17.6 | 8% | 0.078 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 131.6 | 161.6 | -172.1 | 179.4 | 73.1 | 179.1 | 0 | 108.8 | V514 Y516 V523 I568 G569 E570 E574 | V514-K521 HydrophobicContact CG1-CG 4.11Å; Y516-K521 HydrophobicContact CD1-CB 4.12Å; Y516-K521 HydrophobicContact CE1-CB 3.62Å; Y516-K521 HydrophobicContact CE1-CG 3.9Å; K521-V523 HydrophobicContact CG-CG2 4.35Å; K521-I568 CarbonylContact O-C 3.56Å; K521-I568 VanDerWaalsContact O-CA 3.31Å; K521-I568 WeakPolarHBondContact O-CA 3.48Å; K521-G569 VanDerWaalsContact CE-O 3.29Å; K521-G569 WeakPolarHBondContact CE-O 3.17Å; K521-G569 PolarHBondContact O-N 3.14Å; K521-E570 WeakPolarHBondContact CE-OE2 3.49Å; K521-E570 IonicContact NZ-OE1 2.8Å; K521-E570 IonicContact NZ-OE2 3.77Å; K521-E570 PolarHBondContact NZ-OE2 2.94Å; K521-E574 WeakPolarHBondContact CE-OE1 3.34Å; K521-E574 IonicContact NZ-OE1 3.5Å; K521-E574 PolarHBondContact NZ-OE1 3.31Å |
| 522 | I | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.2 | 177.5 | -59.5 | 177.8 | 0 | 0 | 0 | 108.4 | L209 L217 V514 T515 F517 L524 I566 L567 I568 | L209-I522 HydrophobicContact CD1-CD1 4.49Å; L209-I522 HydrophobicContact CD2-CD1 4.3Å; L209-I522 HydrophobicContact CD2-CG2 4.21Å; L217-I522 HydrophobicContact CD1-CD1 3.91Å; V514-I522 CarbonylContact C-O 3.59Å; V514-I522 VanDerWaalsContact CA-O 3.28Å; V514-I522 WeakPolarHBondContact CA-O 3.47Å; T515-I522 HydrophobicContact CG2-CB 4.05Å; T515-I522 HydrophobicContact CG2-CG2 4.43Å; T515-I522 PolarHBondContact N-O 2.7Å; T515-I522 PolarHBondContact O-N 3.49Å; F517-I522 HydrophobicContact CB-CD1 3.71Å; F517-I522 HydrophobicContact CD2-CD1 3.53Å; F517-I522 HydrophobicContact CE2-CD1 4.46Å; F517-I522 HydrophobicContact CG-CD1 3.91Å; I522-L524 HydrophobicContact CG2-CD2 3.71Å; I522-L524 HydrophobicContact CG2-CG 4.15Å; I522-I566 HydrophobicContact CG2-CG2 4.49Å; I522-L567 CarbonylContact C-O 3.55Å; I522-L567 VanDerWaalsContact CA-O 3.27Å; I522-L567 WeakPolarHBondContact CA-O 3.41Å; I522-I568 HydrophobicContact CG1-CG1 4.22Å; I522-I568 HydrophobicContact CG1-CG2 4.19Å |
| 523 | V | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126.9 | 175.2 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | I80 H513 V514 K521 L525 L567 E574 | I80-V523 HydrophobicContact CD1-CG1 4.13Å; H513-V523 WeakPolarHBondContact O-CA 3.27Å; V514-V523 HydrophobicContact CG1-CG2 4.35Å; V514-V523 HydrophobicContact CG2-CG1 4.34Å; V514-V523 HydrophobicContact CG2-CG2 4.14Å; K521-V523 HydrophobicContact CG-CG2 4.35Å; V523-L525 HydrophobicContact CG1-CD2 3.89Å; V523-L525 HydrophobicContact CG1-CG 4.14Å; V523-L567 HydrophobicContact CB-CB 4.13Å; V523-L567 HydrophobicContact CB-CD1 4.33Å; V523-L567 PolarHBondContact N-O 2.91Å; V523-L567 PolarHBondContact O-N 2.94Å; V523-E574 HydrophobicContact CB-CG 4.3Å; V523-E574 HydrophobicContact CG1-CG 4.12Å; V523-E574 HydrophobicContact CG2-CG 3.85Å |
| 524 | L | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123 | -178.9 | -54.4 | 179.3 | 0 | 0 | 0 | 108.9 | F208 F511 T512 H513 I522 F528 I566 | F208-L524 HydrophobicContact CB-CD1 4.07Å; F208-L524 HydrophobicContact CD1-CD1 3.68Å; F208-L524 HydrophobicContact CG-CD1 4.37Å; F511-L524 HydrophobicContact CE1-CB 4.09Å; T512-L524 WeakPolarHBondContact CA-O 3.38Å; H513-L524 HydrophobicContact CB-CB 4.38Å; H513-L524 PolarHBondContact N-O 3.49Å; H513-L524 PolarHBondContact O-N 2.93Å; I522-L524 HydrophobicContact CG2-CD2 3.71Å; I522-L524 HydrophobicContact CG2-CG 4.15Å; L524-F528 HydrophobicContact CB-CB 4.24Å; L524-F528 HydrophobicContact CB-CD1 3.73Å; L524-F528 HydrophobicContact CB-CD2 4.44Å; L524-F528 HydrophobicContact CB-CE1 4.1Å; L524-F528 HydrophobicContact CB-CG 3.9Å; L524-F528 HydrophobicContact CD1-CD1 4.36Å; L524-F528 HydrophobicContact CD1-CD2 4.32Å; L524-F528 HydrophobicContact CD1-CE1 3.98Å; L524-F528 HydrophobicContact CD1-CE2 4Å; L524-F528 HydrophobicContact CD1-CZ 3.8Å; L524-F528 HydrophobicContact CD2-CB 4.46Å; L524-F528 HydrophobicContact CD2-CD2 3.9Å; L524-F528 HydrophobicContact CD2-CE2 4.29Å; L524-F528 HydrophobicContact CD2-CG 4.12Å; L524-F528 HydrophobicContact CG-CD1 4.48Å; L524-F528 HydrophobicContact CG-CD2 4.46Å; L524-F528 HydrophobicContact CG-CG 4.4Å; L524-I566 HydrophobicContact CD2-CB 4.36Å; L524-I566 HydrophobicContact CD2-CD1 4.37Å; L524-I566 HydrophobicContact CD2-CG1 3.91Å; L524-I566 HydrophobicContact CD2-CG2 4.03Å |
| 525 | L | 97.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.2 | -175.9 | -56.6 | 178 | 0 | 0 | 0 | 111.1 | I80 F511 T512 V523 R527 F528 G564 A565 L567 L577 E578 I581 | I80-L525 HydrophobicContact CD1-CD2 3.69Å; I80-L525 HydrophobicContact CG1-CD2 3.97Å; F511-L525 CarbonylContact O-C 3.53Å; F511-L525 WeakPolarHBondContact O-CA 3.48Å; T512-L525 HydrophobicContact CG2-CD2 3.92Å; V523-L525 HydrophobicContact CG1-CD2 3.89Å; V523-L525 HydrophobicContact CG1-CG 4.14Å; L525-R527 PolarHBondContact O-N 3.39Å; L525-F528 PolarHBondContact O-N 2.75Å; L525-G564 CarbonylContact O-C 3.09Å; L525-G564 WeakPolarHBondContact O-CA 3.43Å; L525-A565 HydrophobicContact CB-CB 4.35Å; L525-A565 HydrophobicContact CD1-CB 4.5Å; L525-A565 PolarHBondContact N-O 3.49Å; L525-A565 PolarHBondContact O-N 2.89Å; L525-L567 HydrophobicContact CD1-CD1 4.33Å; L525-L577 HydrophobicContact CD1-CB 3.88Å; L525-E578 HydrophobicContact CD1-CB 4.5Å; L525-I581 HydrophobicContact CB-CD1 3.72Å |
| 526 | G | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.8 | -136.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H471 F473 L510 F511 F528 | H471-G526 WeakPolarHBondContact O-CA 3.29Å; F473-G526 WeakPolarHBondContact CE1-O 3.34Å; L510-G526 VanDerWaalsContact CD1-CA 3.4Å; F511-G526 PolarHBondContact O-N 2.6Å; G526-F528 PolarHBondContact O-N 2.98Å |
| 527 | R | 96.6 | Very high | 91.7 | Very high | 53 Ų | 53 | 23.3 Ų | 23.3 | 20% | 0.2 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -79.4 | 60.5 | 174.9 | -58.8 | -179.9 | 178.7 | -177.5 | -2.6 | 110.6 | P470 L525 N529 G530 Q531 M533 I556 Q563 | P470-R527 PolarHBondContact O-NE 3.12Å; P470-R527 PolarHBondContact O-NH2 3.41Å; L525-R527 PolarHBondContact O-N 3.39Å; R527-N529 PolarHBondContact O-N 3.38Å; R527-N529 VanDerWaalsContact O-N 3.07Å; R527-G530 PolarHBondContact O-N 2.98Å; R527-Q531 WeakPolarHBondContact CD-O 3.5Å; R527-M533 HydrophobicContact CB-SD 4.02Å; R527-M533 WeakPolarHBondContact CD-SD 3.42Å; R527-M533 HydrophobicContact CG-SD 4.43Å; R527-I556 VanDerWaalsContact O-CD1 3.3Å; R527-I556 WeakPolarHBondContact O-CD1 3.44Å; R527-Q563 WeakPolarHBondContact CB-O 3.45Å; R527-Q563 PolarHBondContact N-O 3.5Å |
| 528 | F | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23.4 | -171.9 | 66.2 | -99 | 0 | 0 | 0 | 115.2 | F208 F473 F511 L524 L525 G526 Q531 K554 I556 A565 I566 | F208-F528 WeakPolarHBondContact O-CD2 3.16Å; F208-F528 WeakPolarHBondContact O-CE2 3.26Å; F473-F528 HydrophobicContact CE2-CE1 4.33Å; F473-F528 HydrophobicContact CZ-CD1 4.1Å; F473-F528 AromaticContact CZ-CE1 3.67Å; F473-F528 HydrophobicContact CZ-CE1 3.67Å; F511-F528 AromaticContact CD1-CD1 3.89Å; F511-F528 HydrophobicContact CD1-CD1 3.89Å; F511-F528 AromaticContact CD1-CE1 3.91Å; F511-F528 HydrophobicContact CD1-CE1 3.91Å; F511-F528 AromaticContact CE1-CD1 3.8Å; F511-F528 HydrophobicContact CE1-CD1 3.8Å; F511-F528 AromaticContact CE1-CE1 3.43Å; F511-F528 HydrophobicContact CE1-CE1 3.43Å; F511-F528 VanDerWaalsContact CE1-CE1 3.43Å; F511-F528 HydrophobicContact CZ-CE1 4.04Å; L524-F528 HydrophobicContact CB-CB 4.24Å; L524-F528 HydrophobicContact CB-CD1 3.73Å; L524-F528 HydrophobicContact CB-CD2 4.44Å; L524-F528 HydrophobicContact CB-CE1 4.1Å; L524-F528 HydrophobicContact CB-CG 3.9Å; L524-F528 HydrophobicContact CD1-CD1 4.36Å; L524-F528 HydrophobicContact CD1-CD2 4.32Å; L524-F528 HydrophobicContact CD1-CE1 3.98Å; L524-F528 HydrophobicContact CD1-CE2 4Å; L524-F528 HydrophobicContact CD1-CZ 3.8Å; L524-F528 HydrophobicContact CD2-CB 4.46Å; L524-F528 HydrophobicContact CD2-CD2 3.9Å; L524-F528 HydrophobicContact CD2-CE2 4.29Å; L524-F528 HydrophobicContact CD2-CG 4.12Å; L524-F528 HydrophobicContact CG-CD1 4.48Å; L524-F528 HydrophobicContact CG-CD2 4.46Å; L524-F528 HydrophobicContact CG-CG 4.4Å; L525-F528 PolarHBondContact O-N 2.75Å; G526-F528 PolarHBondContact O-N 2.98Å; F528-Q531 VanDerWaalsContact CE2-NE2 3.29Å; F528-Q531 VanDerWaalsContact N-OE1 3.14Å; F528-K554 WeakPolarHBondContact O-CE 3.43Å; F528-K554 PolarHBondContact O-NZ 2.86Å; F528-I556 VanDerWaalsContact O-CD1 3.28Å; F528-I556 WeakPolarHBondContact O-CD1 3.48Å; F528-A565 WeakPolarHBondContact CB-O 3.31Å; F528-I566 HydrophobicContact CB-CG1 3.92Å; F528-I566 HydrophobicContact CD2-CD1 4.11Å; F528-I566 HydrophobicContact CD2-CG1 4.11Å; F528-I566 HydrophobicContact CG-CG1 4.48Å; F528-I566 WeakPolarHBondContact O-CG1 3.44Å |
| 529 | N | 92 | Very high | 92.2 | Very high | 24 Ų | 24 | 28.8 Ų | 28.8 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 15.1 | 173.3 | -86.1 | -13.5 | 0 | 0 | 0 | 112.4 | R527 Q531 K554 I566 | R527-N529 PolarHBondContact O-N 3.38Å; R527-N529 VanDerWaalsContact O-N 3.07Å; N529-Q531 VanDerWaalsContact C-N 3.34Å; N529-K554 PolarHBondContact OD1-NZ 3.35Å; N529-K554 VanDerWaalsContact OD1-NZ 3.12Å; N529-I566 WeakPolarHBondContact OD1-CD1 3.5Å |
| 530 | G | 91.7 | Very high | 92.8 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | trans | 73.4 | 28.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R527 G532 M533 | R527-G530 PolarHBondContact O-N 2.98Å; G530-G532 PolarHBondContact O-N 3.13Å; G530-G532 VanDerWaalsContact O-N 3.12Å; G530-M533 VanDerWaalsContact O-CB 3.3Å; G530-M533 WeakPolarHBondContact O-CB 3.23Å; G530-M533 PolarHBondContact O-N 2.97Å | ||
| 531 | Q | 90.6 | Very high | 92.9 | Very high | 44 Ų | 44 | 24.7 Ų | 24.7 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 119.5 | -178.6 | -66.4 | 87.7 | -21.6 | 0 | 0 | 110.6 | F473 R527 F528 N529 M533 | F473-Q531 HydrophobicContact CE1-CB 4.19Å; F473-Q531 HydrophobicContact CE1-CG 4.15Å; F473-Q531 HydrophobicContact CE2-CG 4.28Å; F473-Q531 HydrophobicContact CZ-CB 4.39Å; F473-Q531 HydrophobicContact CZ-CG 3.87Å; R527-Q531 WeakPolarHBondContact CD-O 3.5Å; F528-Q531 VanDerWaalsContact CE2-NE2 3.29Å; F528-Q531 VanDerWaalsContact N-OE1 3.14Å; N529-Q531 VanDerWaalsContact C-N 3.34Å; Q531-M533 VanDerWaalsContact C-N 3.29Å; Q531-M533 PolarHBondContact O-N 3.1Å |
| 532 | G | 89.2 | Confident | 92.9 | Very high | 73 Ų | 73 | 23.9 Ų | 23.9 | 75% | 0.753 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 12.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | G530 | G530-G532 PolarHBondContact O-N 3.13Å; G530-G532 VanDerWaalsContact O-N 3.12Å |
| 533 | M | 91.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 24.4 Ų | 24.4 | 14% | 0.143 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -106.2 | 153.4 | 175.8 | -61.5 | 174 | 62.8 | 0 | 0 | 111.6 | R527 G530 Q531 L535 T540 I556 Q558 Q563 | R527-M533 HydrophobicContact CB-SD 4.02Å; R527-M533 WeakPolarHBondContact CD-SD 3.42Å; R527-M533 HydrophobicContact CG-SD 4.43Å; G530-M533 VanDerWaalsContact O-CB 3.3Å; G530-M533 WeakPolarHBondContact O-CB 3.23Å; G530-M533 PolarHBondContact O-N 2.97Å; Q531-M533 VanDerWaalsContact C-N 3.29Å; Q531-M533 PolarHBondContact O-N 3.1Å; M533-L535 PolarHBondContact O-N 2.9Å; M533-T540 HydrophobicContact CE-CG2 4.44Å; M533-I556 HydrophobicContact CE-CG2 3.91Å; M533-I556 HydrophobicContact SD-CG2 4.19Å; M533-Q558 HydrophobicContact CE-CB 3.99Å; M533-Q563 HydrophobicContact CE-CB 3.84Å; M533-Q563 HydrophobicContact CE-CG 3.67Å; M533-Q563 HydrophobicContact SD-CB 3.7Å; M533-Q563 HydrophobicContact SD-CG 4.14Å |
| 534 | D | 91.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 25 Ų | 25 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | trans | -84.6 | 99.8 | 161.5 | -179.9 | 2.5 | 0 | 0 | 0 | 108.6 | S536 A537 T540 | D534-S536 PolarHBondContact O-N 2.92Å; D534-S536 WeakPolarHBondContact OD1-CA 3.26Å; D534-S536 WeakPolarHBondContact OD1-CB 3.38Å; D534-S536 PolarHBondContact OD1-N 2.93Å; D534-S536 PolarHBondContact OD1-OG 3.49Å; D534-A537 HydrophobicContact CB-CB 4.15Å; D534-A537 VanDerWaalsContact O-CB 3.26Å; D534-A537 WeakPolarHBondContact O-CB 3.35Å; D534-A537 PolarHBondContact O-N 3.2Å; D534-A537 PolarHBondContact OD1-N 3.39Å; D534-T540 PolarHBondContact O-OG1 2.86Å | ||
| 535 | L | 89.1 | Confident | 92.1 | Very high | 16 Ų | 16 | 25.6 Ų | 25.6 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -16.8 | 179.4 | -73.3 | 178.8 | 0 | 0 | 0 | 113.3 | Y256 L275 M533 T540 I556 | Y256-L535 HydrophobicContact CD2-CB 3.93Å; Y256-L535 HydrophobicContact CD2-CD1 3.92Å; Y256-L535 HydrophobicContact CD2-CD2 4.33Å; Y256-L535 HydrophobicContact CD2-CG 4.29Å; Y256-L535 HydrophobicContact CE2-CD1 3.96Å; Y256-L535 HydrophobicContact CG-CB 4.38Å; L275-L535 HydrophobicContact CD1-CB 3.87Å; L275-L535 HydrophobicContact CD1-CD1 4.08Å; M533-L535 PolarHBondContact O-N 2.9Å; L535-T540 HydrophobicContact CD2-CG2 4.09Å; L535-I556 HydrophobicContact CD2-CG2 4.25Å |
| 536 | S | 86.6 | Confident | 91.6 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -7.2 | 176.2 | 75.9 | 0 | 0 | 0 | 0 | 113.1 | D534 | D534-S536 PolarHBondContact O-N 2.92Å; D534-S536 WeakPolarHBondContact OD1-CA 3.26Å; D534-S536 WeakPolarHBondContact OD1-CB 3.38Å; D534-S536 PolarHBondContact OD1-N 2.93Å; D534-S536 PolarHBondContact OD1-OG 3.49Å |
| 537 | A | 91.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 10% | 0.099 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -58.1 | 139.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110.9 | D534 D539 T540 | D534-A537 HydrophobicContact CB-CB 4.15Å; D534-A537 VanDerWaalsContact O-CB 3.26Å; D534-A537 WeakPolarHBondContact O-CB 3.35Å; D534-A537 PolarHBondContact O-N 3.2Å; D534-A537 PolarHBondContact OD1-N 3.39Å; A537-D539 PolarHBondContact O-N 2.95Å; A537-T540 WeakPolarHBondContact O-CB 3.41Å; A537-T540 PolarHBondContact O-N 2.81Å |
| 538 | P | 89.2 | Confident | 90.4 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -23 | -172.2 | 22.9 | -32.2 | 0 | 0 | 0 | 113.9 | R255 | R255-P538 PolarHBondContact NH2-O 2.82Š|
| 539 | D | 94.3 | Very high | 89.8 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -3.4 | 174.8 | 70.4 | -43.2 | 0 | 0 | 0 | 113.5 | A537 Y541 Q558 S559 | A537-D539 PolarHBondContact O-N 2.95Å; D539-Y541 WeakPolarHBondContact O-CD1 3.44Å; D539-Y541 WeakPolarHBondContact O-CE1 3.28Å; D539-Q558 WeakPolarHBondContact O-CA 3.09Å; D539-Q558 WeakPolarHBondContact OD2-CG 3.37Å; D539-Q558 PolarHBondContact OD2-NE2 3.05Å; D539-S559 PolarHBondContact O-N 3.1Å; D539-S559 PolarHBondContact OD2-OG 3.48Å |
| 540 | T | 95.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.9 | 174.6 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | R255 M533 D534 L535 A537 M557 | R255-T540 WeakPolarHBondContact CD-O 3.47Å; R255-T540 WeakPolarHBondContact CG-O 3.49Å; R255-T540 PolarHBondContact NE-O 2.86Å; M533-T540 HydrophobicContact CE-CG2 4.44Å; D534-T540 PolarHBondContact O-OG1 2.86Å; L535-T540 HydrophobicContact CD2-CG2 4.09Å; A537-T540 WeakPolarHBondContact O-CB 3.41Å; A537-T540 PolarHBondContact O-N 2.81Å; T540-M557 VanDerWaalsContact CA-O 3.28Å; T540-M557 WeakPolarHBondContact CA-O 3.47Å |
| 541 | Y | 92.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 170 | 177 | 54.2 | -76.6 | 0 | 0 | 0 | 109.8 | R253 M254 D539 L543 M557 G560 E591 | R253-Y541 HydrophobicContact CG-CD2 4.26Å; R253-Y541 VanDerWaalsContact NH2-CE2 3.34Å; M254-Y541 CarbonylContact O-C 3.59Å; M254-Y541 WeakPolarHBondContact O-CB 3.46Å; D539-Y541 WeakPolarHBondContact O-CD1 3.44Å; D539-Y541 WeakPolarHBondContact O-CE1 3.28Å; Y541-L543 HydrophobicContact CD2-CD2 4.41Å; Y541-L543 HydrophobicContact CE2-CD2 4.39Å; Y541-M557 HydrophobicContact CD1-CB 4.2Å; Y541-M557 HydrophobicContact CD2-CB 3.83Å; Y541-M557 HydrophobicContact CD2-CG 4.08Å; Y541-M557 HydrophobicContact CE1-CB 3.83Å; Y541-M557 HydrophobicContact CE2-CB 3.47Å; Y541-M557 VanDerWaalsContact CE2-CB 3.47Å; Y541-M557 HydrophobicContact CE2-CG 3.69Å; Y541-M557 HydrophobicContact CG-CB 4.16Å; Y541-M557 VanDerWaalsContact CZ-CB 3.42Å; Y541-M557 PolarHBondContact N-O 3.23Å; Y541-M557 WeakPolarHBondContact O-CA 3.43Å; Y541-M557 WeakPolarHBondContact O-CB 3.46Å; Y541-M557 PolarHBondContact O-N 2.95Å; Y541-G560 VanDerWaalsContact OH-CA 3.32Å; Y541-G560 WeakPolarHBondContact OH-CA 3.41Å; Y541-G560 PolarHBondContact OH-N 3.18Å; Y541-E591 VanDerWaalsContact CZ-OE1 3.3Å; Y541-E591 PolarHBondContact OH-OE1 2.71Å |
| 542 | L | 92 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 142 | 179.7 | -49.2 | -173.4 | 0 | 0 | 0 | 110.9 | R253 M254 Y256 L277 M544 K554 C555 I556 | R253-L542 WeakPolarHBondContact CA-O 3.39Å; M254-L542 HydrophobicContact CB-CB 4.26Å; M254-L542 PolarHBondContact N-O 2.94Å; M254-L542 PolarHBondContact O-N 3.27Å; Y256-L542 HydrophobicContact CD2-CD1 4.26Å; Y256-L542 HydrophobicContact CE2-CD1 3.66Å; Y256-L542 HydrophobicContact CE2-CD2 4.26Å; Y256-L542 HydrophobicContact CE2-CG 4.32Å; L277-L542 HydrophobicContact CD1-CD1 3.42Å; L277-L542 VanDerWaalsContact CD1-CD1 3.42Å; L277-L542 HydrophobicContact CD1-CG 4.24Å; L277-L542 HydrophobicContact CD2-CD1 4.3Å; L542-M544 HydrophobicContact CB-CG 4.32Å; L542-M544 HydrophobicContact CD1-SD 4.33Å; L542-K554 HydrophobicContact CD1-CD 4.29Å; L542-K554 HydrophobicContact CD1-CG 4.33Å; L542-C555 VanDerWaalsContact CA-O 3.29Å; L542-C555 WeakPolarHBondContact CA-O 3.42Å; L542-I556 HydrophobicContact CD2-CB 4.23Å; L542-I556 HydrophobicContact CD2-CG1 3.59Å; L542-I556 HydrophobicContact CD2-CG2 4.46Å |
| 543 | L | 91.7 | Very high | 90 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.9 | 160.8 | -56.6 | 176.7 | 0 | 0 | 0 | 107.7 | R253 Y541 C555 M557 E591 L594 L595 | R253-L543 HydrophobicContact CB-CD2 4.39Å; R253-L543 HydrophobicContact CG-CD2 4.14Å; Y541-L543 HydrophobicContact CD2-CD2 4.41Å; Y541-L543 HydrophobicContact CE2-CD2 4.39Å; L543-C555 HydrophobicContact CB-CB 4.3Å; L543-C555 PolarHBondContact N-O 3.24Å; L543-C555 PolarHBondContact O-N 2.96Å; L543-M557 HydrophobicContact CD1-CE 4.41Å; L543-M557 HydrophobicContact CD1-CG 4.03Å; L543-M557 HydrophobicContact CD1-SD 4.16Å; L543-M557 HydrophobicContact CG-CG 3.88Å; L543-E591 HydrophobicContact CD1-CB 4.08Å; L543-E591 HydrophobicContact CD1-CG 4.43Å; L543-E591 HydrophobicContact CD2-CB 4.43Å; L543-L594 HydrophobicContact CD1-CD2 3.83Å; L543-L595 HydrophobicContact CB-CD1 3.86Å |
| 544 | M | 89 | Confident | 90.2 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.059 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.4 | -176.2 | -67.8 | 178.3 | 54.8 | 0 | 0 | 111.7 | V212 I251 R252 M254 L277 L542 V546 F552 I553 K554 | V212-M544 HydrophobicContact CG1-CE 3.98Å; I251-M544 CarbonylContact C-O 3.48Å; I251-M544 VanDerWaalsContact CA-O 3.25Å; I251-M544 WeakPolarHBondContact CA-O 3.31Å; R252-M544 PolarHBondContact N-O 3.42Å; R252-M544 PolarHBondContact O-N 2.85Å; M254-M544 HydrophobicContact CB-SD 4.45Å; M254-M544 HydrophobicContact CG-SD 3.86Å; L277-M544 HydrophobicContact CD2-SD 3.84Å; L542-M544 HydrophobicContact CB-CG 4.32Å; L542-M544 HydrophobicContact CD1-SD 4.33Å; M544-V546 HydrophobicContact CE-CG2 4.16Å; M544-F552 HydrophobicContact CE-CE2 3.63Å; M544-F552 HydrophobicContact CE-CZ 3.86Å; M544-I553 CarbonylContact C-O 3.45Å; M544-I553 VanDerWaalsContact CA-O 3.25Å; M544-I553 WeakPolarHBondContact CA-O 3.4Å; M544-K554 HydrophobicContact CG-CB 4.33Å; M544-K554 HydrophobicContact CG-CG 4.11Å |
| 545 | R | 88.9 | Confident | 90.4 | Very high | 13 Ų | 13 | 30 Ų | 30 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.8 | 166.5 | 176.3 | 176.6 | 102.1 | -163.7 | -4.9 | 108.9 | T249 Q250 I251 E551 I553 L595 | T249-R545 HydrophobicContact CG2-CG 3.89Å; Q250-R545 WeakPolarHBondContact O-CA 3.17Å; I251-R545 HydrophobicContact CG1-CB 4.24Å; I251-R545 HydrophobicContact CG1-CG 4.14Å; R545-E551 IonicContact CZ-OE1 3.51Å; R545-E551 IonicContact CZ-OE2 3.78Å; R545-E551 IonicContact NE-OE1 3.45Å; R545-E551 PolarHBondContact NE-OE1 2.98Å; R545-E551 IonicContact NE-OE2 3.39Å; R545-E551 IonicContact NH2-OE1 3.99Å; R545-E551 PolarHBondContact NH2-OE1 2.83Å; R545-E551 IonicContact NH2-OE2 2.58Å; R545-E551 PolarHBondContact NH2-OE2 3.29Å; R545-I553 HydrophobicContact CB-CB 4.28Å; R545-I553 HydrophobicContact CB-CD1 4.09Å; R545-I553 HydrophobicContact CG-CD1 4.2Å; R545-I553 PolarHBondContact N-O 3.09Å; R545-I553 VanDerWaalsContact NH2-CD1 3.27Å; R545-I553 PolarHBondContact O-N 3.22Å; R545-L595 HydrophobicContact CB-CB 3.98Å; R545-L595 HydrophobicContact CB-CD1 4.15Å; R545-L595 WeakPolarHBondContact CD-O 3.48Å; R545-L595 PolarHBondContact NH1-O 3.04Å |
| 546 | V | 87 | Confident | 90.7 | Very high | 37 Ų | 37 | 29.3 Ų | 29.3 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.9 | 179 | -172.4 | 0 | 0 | 0 | 0 | 109 | F216 T249 Q250 M544 F552 | F216-V546 HydrophobicContact CD2-CG1 3.85Å; F216-V546 HydrophobicContact CE2-CG1 4.09Å; T249-V546 CarbonylContact C-O 3.47Å; T249-V546 WeakPolarHBondContact CA-O 3.49Å; Q250-V546 PolarHBondContact N-O 3.17Å; Q250-V546 PolarHBondContact O-N 3.24Å; M544-V546 HydrophobicContact CE-CG2 4.16Å; V546-F552 HydrophobicContact CB-CD2 4.46Å; V546-F552 HydrophobicContact CG1-CD2 4.21Å; V546-F552 HydrophobicContact CG2-CD2 3.54Å; V546-F552 HydrophobicContact CG2-CE2 3.87Å; V546-F552 HydrophobicContact CG2-CG 4.48Å |
| 547 | T | 87.1 | Confident | 91.2 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.6 | 169.3 | -55 | 0 | 0 | 0 | 0 | 107.2 | P246 T249 G549 R550 E551 | P246-T547 HydrophobicContact CB-CG2 4.02Å; P246-T547 HydrophobicContact CG-CG2 3.95Å; T249-T547 WeakPolarHBondContact CG2-OG1 3.29Å; T249-T547 WeakPolarHBondContact OG1-CG2 3.38Å; T249-T547 PolarHBondContact OG1-OG1 2.66Å; T547-G549 PolarHBondContact O-N 3.37Å; T547-R550 HydrophobicContact CG2-CB 4.06Å; T547-R550 HydrophobicContact CG2-CG 4.36Å; T547-R550 PolarHBondContact O-N 3.05Å; T547-E551 PolarHBondContact N-O 2.63Å; T547-E551 PolarHBondContact O-N 3.26Å; T547-E551 VanDerWaalsContact O-N 3.12Å; T547-E551 VanDerWaalsContact O-O 3.12Å; T547-E551 PolarHBondContact OG1-OE1 3.21Å |
| 548 | R | 83 | Confident | 91.5 | Very high | 152 Ų | 152 | 30.2 Ų | 30.2 | 57% | 0.574 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 123.7 | -165.6 | -176.6 | 179.6 | -179 | -178 | 2 | 111.3 | M223 D248 R550 | M223-R548 HydrophobicContact CE-CG 3.78Å; M223-R548 HydrophobicContact SD-CG 3.95Å; D248-R548 HydrophobicContact CB-CB 4.49Å; D248-R548 WeakPolarHBondContact OD2-CB 3.36Å; R548-R550 PolarHBondContact O-N 3.45Å |
| 549 | G | 82.9 | Confident | 91.8 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 7.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | M223 T547 | M223-G549 VanDerWaalsContact CE-CA 3.4Å; T547-G549 PolarHBondContact O-N 3.37Å |
| 550 | R | 88.4 | Confident | 91.8 | Very high | 153 Ų | 153 | 27.6 Ų | 27.6 | 58% | 0.577 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -57.1 | -178.4 | -64.8 | -173.6 | -179.2 | -173.7 | 0.4 | 112.9 | F520 T547 R548 | F520-R550 WeakPolarHBondContact CE1-O 3.19Å; T547-R550 HydrophobicContact CG2-CB 4.06Å; T547-R550 HydrophobicContact CG2-CG 4.36Å; T547-R550 PolarHBondContact O-N 3.05Å; R548-R550 PolarHBondContact O-N 3.45Å |
| 551 | E | 91.9 | Very high | 91.9 | Very high | 24 Ų | 24 | 32 Ų | 32 | 11% | 0.112 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.4 | -175.2 | 52.9 | 159.3 | -152.3 | 0 | 0 | 112.3 | F216 R545 T547 I568 T571 | F216-E551 WeakPolarHBondContact CE2-O 3.41Å; R545-E551 IonicContact CZ-OE1 3.51Å; R545-E551 IonicContact CZ-OE2 3.78Å; R545-E551 IonicContact NE-OE1 3.45Å; R545-E551 PolarHBondContact NE-OE1 2.98Å; R545-E551 IonicContact NE-OE2 3.39Å; R545-E551 IonicContact NH2-OE1 3.99Å; R545-E551 PolarHBondContact NH2-OE1 2.83Å; R545-E551 IonicContact NH2-OE2 2.58Å; R545-E551 PolarHBondContact NH2-OE2 3.29Å; T547-E551 PolarHBondContact N-O 2.63Å; T547-E551 PolarHBondContact O-N 3.26Å; T547-E551 VanDerWaalsContact O-N 3.12Å; T547-E551 VanDerWaalsContact O-O 3.12Å; T547-E551 PolarHBondContact OG1-OE1 3.21Å; E551-I568 CarbonylContact C-O 3.4Å; E551-I568 WeakPolarHBondContact CA-O 3.38Å; E551-I568 WeakPolarHBondContact CB-O 3.4Å; E551-T571 HydrophobicContact CB-CG2 4.31Å |
| 552 | F | 92.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 121.9 | 174.6 | 172.6 | -79.1 | 0 | 0 | 0 | 108.7 | V212 A213 F216 M544 V546 K554 I568 | V212-F552 HydrophobicContact CB-CZ 4.5Å; V212-F552 HydrophobicContact CG1-CE2 3.9Å; V212-F552 HydrophobicContact CG1-CZ 4.29Å; A213-F552 HydrophobicContact CB-CD1 4.24Å; A213-F552 HydrophobicContact CB-CE1 3.71Å; A213-F552 HydrophobicContact CB-CZ 4Å; F216-F552 HydrophobicContact CB-CD2 4.07Å; F216-F552 HydrophobicContact CB-CG 4.49Å; F216-F552 HydrophobicContact CD1-CB 3.76Å; F216-F552 HydrophobicContact CD1-CG 4.45Å; F216-F552 HydrophobicContact CD2-CB 3.97Å; F216-F552 HydrophobicContact CD2-CD2 4.33Å; F216-F552 HydrophobicContact CE1-CB 3.87Å; F216-F552 HydrophobicContact CE2-CB 4.04Å; F216-F552 HydrophobicContact CG-CB 3.82Å; F216-F552 HydrophobicContact CG-CD2 4.15Å; F216-F552 HydrophobicContact CG-CG 4.27Å; F216-F552 HydrophobicContact CZ-CB 4.01Å; M544-F552 HydrophobicContact CE-CE2 3.63Å; M544-F552 HydrophobicContact CE-CZ 3.86Å; V546-F552 HydrophobicContact CB-CD2 4.46Å; V546-F552 HydrophobicContact CG1-CD2 4.21Å; V546-F552 HydrophobicContact CG2-CD2 3.54Å; V546-F552 HydrophobicContact CG2-CE2 3.87Å; V546-F552 HydrophobicContact CG2-CG 4.48Å; F552-K554 HydrophobicContact CD1-CB 4.48Å; F552-K554 HydrophobicContact CE1-CB 3.55Å; F552-K554 HydrophobicContact CE1-CD 4.47Å; F552-K554 HydrophobicContact CZ-CB 3.93Å; F552-K554 HydrophobicContact CZ-CD 4.44Å; F552-I568 HydrophobicContact CB-CB 4.04Å; F552-I568 HydrophobicContact CB-CD1 4.26Å; F552-I568 HydrophobicContact CB-CG1 4.32Å; F552-I568 HydrophobicContact CD1-CD1 3.89Å; F552-I568 HydrophobicContact CD1-CG1 4.12Å; F552-I568 HydrophobicContact CG-CD1 4.31Å; F552-I568 PolarHBondContact N-O 3.38Å; F552-I568 PolarHBondContact O-N 3.09Å |
| 553 | I | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.4 | 175.7 | -61.5 | 123.8 | 0 | 0 | 0 | 108.3 | M544 R545 I566 L567 T571 L573 L595 | M544-I553 CarbonylContact C-O 3.45Å; M544-I553 VanDerWaalsContact CA-O 3.25Å; M544-I553 WeakPolarHBondContact CA-O 3.4Å; R545-I553 HydrophobicContact CB-CB 4.28Å; R545-I553 HydrophobicContact CB-CD1 4.09Å; R545-I553 HydrophobicContact CG-CD1 4.2Å; R545-I553 PolarHBondContact N-O 3.09Å; R545-I553 VanDerWaalsContact NH2-CD1 3.27Å; R545-I553 PolarHBondContact O-N 3.22Å; I553-I566 WeakPolarHBondContact CA-O 3.17Å; I553-L567 HydrophobicContact CB-CD2 4.08Å; I553-L567 HydrophobicContact CG1-CD2 3.75Å; I553-L567 HydrophobicContact CG2-CD2 3.55Å; I553-T571 HydrophobicContact CD1-CG2 3.84Å; I553-T571 HydrophobicContact CG1-CG2 3.59Å; I553-L573 HydrophobicContact CD1-CD1 4.1Å; I553-L573 HydrophobicContact CG1-CD1 4.26Å; I553-L573 HydrophobicContact CG2-CD1 4.44Å; I553-L595 HydrophobicContact CG2-CD1 4.17Å; I553-L595 HydrophobicContact CG2-CD2 3.68Å |
| 554 | K | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.009 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 120.1 | 174.8 | 180 | -168.1 | 78.7 | -176.8 | 0 | 109 | D210 F528 N529 L542 M544 F552 A565 I566 | D210-K554 IonicContact OD1-NZ 3.65Å; D210-K554 WeakPolarHBondContact OD2-CD 3.41Å; D210-K554 WeakPolarHBondContact OD2-CE 3.49Å; D210-K554 IonicContact OD2-NZ 3.78Å; D210-K554 PolarHBondContact OD2-NZ 3.13Å; F528-K554 WeakPolarHBondContact O-CE 3.43Å; F528-K554 PolarHBondContact O-NZ 2.86Å; N529-K554 PolarHBondContact OD1-NZ 3.35Å; N529-K554 VanDerWaalsContact OD1-NZ 3.12Å; L542-K554 HydrophobicContact CD1-CD 4.29Å; L542-K554 HydrophobicContact CD1-CG 4.33Å; M544-K554 HydrophobicContact CG-CB 4.33Å; M544-K554 HydrophobicContact CG-CG 4.11Å; F552-K554 HydrophobicContact CD1-CB 4.48Å; F552-K554 HydrophobicContact CE1-CB 3.55Å; F552-K554 HydrophobicContact CE1-CD 4.47Å; F552-K554 HydrophobicContact CZ-CB 3.93Å; F552-K554 HydrophobicContact CZ-CD 4.44Å; K554-A565 CarbonylContact O-C 3.59Å; K554-A565 WeakPolarHBondContact O-CA 3.38Å; K554-I566 PolarHBondContact N-O 2.86Å; K554-I566 PolarHBondContact O-N 3.04Å |
| 555 | C | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.4 | 174 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | L542 L543 M557 M562 | L542-C555 VanDerWaalsContact CA-O 3.29Å; L542-C555 WeakPolarHBondContact CA-O 3.42Å; L543-C555 HydrophobicContact CB-CB 4.3Å; L543-C555 PolarHBondContact N-O 3.24Å; L543-C555 PolarHBondContact O-N 2.96Å; C555-M557 HydrophobicContact CB-SD 4.13Å; C555-M562 HydrophobicContact CB-CE 3.67Å; C555-M562 HydrophobicContact CB-CG 4.48Å; C555-M562 HydrophobicContact CB-SD 4.13Å; C555-M562 VanDerWaalsContact SG-CE 3.57Å |
| 556 | I | 96.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.9 | 173.2 | -65.3 | 170 | 0 | 0 | 0 | 107.9 | R527 F528 M533 L535 L542 Q563 G564 | R527-I556 VanDerWaalsContact O-CD1 3.3Å; R527-I556 WeakPolarHBondContact O-CD1 3.44Å; F528-I556 VanDerWaalsContact O-CD1 3.28Å; F528-I556 WeakPolarHBondContact O-CD1 3.48Å; M533-I556 HydrophobicContact CE-CG2 3.91Å; M533-I556 HydrophobicContact SD-CG2 4.19Å; L535-I556 HydrophobicContact CD2-CG2 4.25Å; L542-I556 HydrophobicContact CD2-CB 4.23Å; L542-I556 HydrophobicContact CD2-CG1 3.59Å; L542-I556 HydrophobicContact CD2-CG2 4.46Å; I556-Q563 HydrophobicContact CG2-CB 4.41Å; I556-Q563 PolarHBondContact O-N 3.08Å; I556-G564 PolarHBondContact N-O 2.92Å |
| 557 | M | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 141.9 | -177.3 | -51.8 | -56.2 | -67.9 | 0 | 0 | 109.9 | T540 Y541 L543 C555 R561 M562 L587 | T540-M557 VanDerWaalsContact CA-O 3.28Å; T540-M557 WeakPolarHBondContact CA-O 3.47Å; Y541-M557 HydrophobicContact CD1-CB 4.2Å; Y541-M557 HydrophobicContact CD2-CB 3.83Å; Y541-M557 HydrophobicContact CD2-CG 4.08Å; Y541-M557 HydrophobicContact CE1-CB 3.83Å; Y541-M557 HydrophobicContact CE2-CB 3.47Å; Y541-M557 VanDerWaalsContact CE2-CB 3.47Å; Y541-M557 HydrophobicContact CE2-CG 3.69Å; Y541-M557 HydrophobicContact CG-CB 4.16Å; Y541-M557 VanDerWaalsContact CZ-CB 3.42Å; Y541-M557 PolarHBondContact N-O 3.23Å; Y541-M557 WeakPolarHBondContact O-CA 3.43Å; Y541-M557 WeakPolarHBondContact O-CB 3.46Å; Y541-M557 PolarHBondContact O-N 2.95Å; L543-M557 HydrophobicContact CD1-CE 4.41Å; L543-M557 HydrophobicContact CD1-CG 4.03Å; L543-M557 HydrophobicContact CD1-SD 4.16Å; L543-M557 HydrophobicContact CG-CG 3.88Å; C555-M557 HydrophobicContact CB-SD 4.13Å; M557-R561 WeakPolarHBondContact CA-O 3.45Å; M557-M562 HydrophobicContact CE-CB 4.26Å; M557-M562 HydrophobicContact SD-CB 3.95Å; M557-M562 HydrophobicContact SD-CE 4.07Å; M557-M562 HydrophobicContact SD-CG 4.05Å; M557-L587 HydrophobicContact CE-CB 4.29Å; M557-L587 HydrophobicContact CE-CD1 4.01Å |
| 558 | Q | 96.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 28.6 Ų | 28.6 | 26% | 0.257 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 124.3 | 168.7 | -173.1 | 174.7 | 30.7 | 0 | 0 | 109.3 | M533 D539 G560 R561 Q563 | M533-Q558 HydrophobicContact CE-CB 3.99Å; D539-Q558 WeakPolarHBondContact O-CA 3.09Å; D539-Q558 WeakPolarHBondContact OD2-CG 3.37Å; D539-Q558 PolarHBondContact OD2-NE2 3.05Å; Q558-G560 VanDerWaalsContact C-N 3.29Å; Q558-G560 PolarHBondContact O-N 2.86Å; Q558-R561 PolarHBondContact N-O 2.77Å; Q558-R561 PolarHBondContact O-N 3.44Å; Q558-Q563 HydrophobicContact CB-CG 3.72Å |
| 559 | S | 95.6 | Very high | 94.9 | Very high | 73 Ų | 73 | 21.6 Ų | 21.6 | 51% | 0.51 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 46.7 | 178.7 | -74.1 | 0 | 0 | 0 | 0 | 113.2 | D539 R561 | D539-S559 PolarHBondContact O-N 3.1Å; D539-S559 PolarHBondContact OD2-OG 3.48Å; S559-R561 VanDerWaalsContact C-N 3.26Å; S559-R561 PolarHBondContact O-N 3.2Å |
| 560 | G | 95 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | -3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y541 Q558 L587 | Y541-G560 VanDerWaalsContact OH-CA 3.32Å; Y541-G560 WeakPolarHBondContact OH-CA 3.41Å; Y541-G560 PolarHBondContact OH-N 3.18Å; Q558-G560 VanDerWaalsContact C-N 3.29Å; Q558-G560 PolarHBondContact O-N 2.86Å; G560-L587 WeakPolarHBondContact O-CB 3.44Å; G560-L587 PolarHBondContact O-N 2.9Å |
| 561 | R | 97.4 | Very high | 95.4 | Very high | 95 Ų | 95 | 19.2 Ų | 19.2 | 36% | 0.358 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.9 | -174.3 | -57.4 | -179.3 | -164.5 | -83.2 | -12.9 | 111.8 | M557 Q558 S559 Q563 Q584 D586 | M557-R561 WeakPolarHBondContact CA-O 3.45Å; Q558-R561 PolarHBondContact N-O 2.77Å; Q558-R561 PolarHBondContact O-N 3.44Å; S559-R561 VanDerWaalsContact C-N 3.26Å; S559-R561 PolarHBondContact O-N 3.2Å; R561-Q563 PolarHBondContact O-NE2 2.95Å; R561-Q584 WeakPolarHBondContact CD-O 3.49Å; R561-Q584 PolarHBondContact NH1-O 2.64Å; R561-D586 IonicContact NH2-OD2 2.7Å |
| 562 | M | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 131.5 | 177.7 | -166.3 | 173.2 | -60.9 | 0 | 0 | 111.2 | C555 M557 A565 L577 L580 I581 Q584 L587 L594 | C555-M562 HydrophobicContact CB-CE 3.67Å; C555-M562 HydrophobicContact CB-CG 4.48Å; C555-M562 HydrophobicContact CB-SD 4.13Å; C555-M562 VanDerWaalsContact SG-CE 3.57Å; M557-M562 HydrophobicContact CE-CB 4.26Å; M557-M562 HydrophobicContact SD-CB 3.95Å; M557-M562 HydrophobicContact SD-CE 4.07Å; M557-M562 HydrophobicContact SD-CG 4.05Å; M562-A565 HydrophobicContact SD-CB 4.3Å; M562-L577 HydrophobicContact CE-CD2 3.66Å; M562-L577 HydrophobicContact SD-CB 4.15Å; M562-L577 HydrophobicContact SD-CD1 4.42Å; M562-L577 HydrophobicContact SD-CD2 4.03Å; M562-L577 HydrophobicContact SD-CG 4.41Å; M562-L580 HydrophobicContact CE-CD1 4.3Å; M562-I581 HydrophobicContact CB-CG1 3.98Å; M562-I581 HydrophobicContact CG-CD1 4.24Å; M562-I581 HydrophobicContact CG-CG1 3.65Å; M562-I581 HydrophobicContact SD-CD1 4.13Å; M562-I581 HydrophobicContact SD-CG1 3.89Å; M562-Q584 PolarHBondContact O-NE2 3.04Å; M562-L587 HydrophobicContact CB-CD1 4.47Å; M562-L587 HydrophobicContact CE-CD1 4.46Å; M562-L594 HydrophobicContact CE-CD2 3.66Å |
| 563 | Q | 98.1 | Very high | 95.2 | Very high | 14 Ų | 14 | 25.3 Ų | 25.3 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -22.2 | 179.6 | -56.9 | -54 | -48 | 0 | 0 | 112.6 | H471 R527 M533 I556 Q558 R561 | H471-Q563 PolarHBondContact CD2-O 2.65Å; H471-Q563 VanDerWaalsContact CD2-O 3.28Å; H471-Q563 PolarHBondContact NE2-OE1 3.36Å; R527-Q563 WeakPolarHBondContact CB-O 3.45Å; R527-Q563 PolarHBondContact N-O 3.5Å; M533-Q563 HydrophobicContact CE-CB 3.84Å; M533-Q563 HydrophobicContact CE-CG 3.67Å; M533-Q563 HydrophobicContact SD-CB 3.7Å; M533-Q563 HydrophobicContact SD-CG 4.14Å; I556-Q563 HydrophobicContact CG2-CB 4.41Å; I556-Q563 PolarHBondContact O-N 3.08Å; Q558-Q563 HydrophobicContact CB-CG 3.72Å; R561-Q563 PolarHBondContact O-NE2 2.95Å |
| 564 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 166.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L525 I556 | L525-G564 CarbonylContact O-C 3.09Å; L525-G564 WeakPolarHBondContact O-CA 3.43Å; I556-G564 PolarHBondContact N-O 2.92Å |
| 565 | A | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L525 F528 K554 M562 L577 | L525-A565 HydrophobicContact CB-CB 4.35Å; L525-A565 HydrophobicContact CD1-CB 4.5Å; L525-A565 PolarHBondContact N-O 3.49Å; L525-A565 PolarHBondContact O-N 2.89Å; F528-A565 WeakPolarHBondContact CB-O 3.31Å; K554-A565 CarbonylContact O-C 3.59Å; K554-A565 WeakPolarHBondContact O-CA 3.38Å; M562-A565 HydrophobicContact SD-CB 4.3Å; A565-L577 HydrophobicContact CB-CD1 3.84Å |
| 566 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 127.9 | 163.9 | -58.4 | -174.8 | 0 | 0 | 0 | 107.7 | L209 I522 L524 F528 N529 I553 K554 I568 | L209-I566 HydrophobicContact CD2-CD1 4.45Å; L209-I566 HydrophobicContact CD2-CG2 4.28Å; I522-I566 HydrophobicContact CG2-CG2 4.49Å; L524-I566 HydrophobicContact CD2-CB 4.36Å; L524-I566 HydrophobicContact CD2-CD1 4.37Å; L524-I566 HydrophobicContact CD2-CG1 3.91Å; L524-I566 HydrophobicContact CD2-CG2 4.03Å; F528-I566 HydrophobicContact CB-CG1 3.92Å; F528-I566 HydrophobicContact CD2-CD1 4.11Å; F528-I566 HydrophobicContact CD2-CG1 4.11Å; F528-I566 HydrophobicContact CG-CG1 4.48Å; F528-I566 WeakPolarHBondContact O-CG1 3.44Å; N529-I566 WeakPolarHBondContact OD1-CD1 3.5Å; I553-I566 WeakPolarHBondContact CA-O 3.17Å; K554-I566 PolarHBondContact N-O 2.86Å; K554-I566 PolarHBondContact O-N 3.04Å; I566-I568 HydrophobicContact CG2-CD1 4.18Å; I566-I568 HydrophobicContact CG2-CG1 3.79Å |
| 567 | L | 96.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.8 | 173.9 | -49.4 | 171.7 | 0 | 0 | 0 | 108.2 | I522 V523 L525 I553 T571 L573 E574 L577 | I522-L567 CarbonylContact C-O 3.55Å; I522-L567 VanDerWaalsContact CA-O 3.27Å; I522-L567 WeakPolarHBondContact CA-O 3.41Å; V523-L567 HydrophobicContact CB-CB 4.13Å; V523-L567 HydrophobicContact CB-CD1 4.33Å; V523-L567 PolarHBondContact N-O 2.91Å; V523-L567 PolarHBondContact O-N 2.94Å; L525-L567 HydrophobicContact CD1-CD1 4.33Å; I553-L567 HydrophobicContact CB-CD2 4.08Å; I553-L567 HydrophobicContact CG1-CD2 3.75Å; I553-L567 HydrophobicContact CG2-CD2 3.55Å; L567-T571 HydrophobicContact CB-CG2 4.07Å; L567-L573 HydrophobicContact CD1-CB 4.46Å; L567-E574 HydrophobicContact CD1-CB 4.44Å; L567-E574 HydrophobicContact CD1-CG 3.97Å; L567-L577 HydrophobicContact CD1-CD1 4.25Å; L567-L577 HydrophobicContact CD2-CD1 3.58Å; L567-L577 HydrophobicContact CG-CD1 4.34Å |
| 568 | I | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | 177.3 | -51.6 | -175.8 | 0 | 0 | 0 | 107.7 | L209 A213 F216 L217 F520 K521 I522 E551 F552 I566 | L209-I568 HydrophobicContact CD2-CD1 4.28Å; A213-I568 HydrophobicContact CB-CD1 4.02Å; F216-I568 HydrophobicContact CD1-CD1 4.25Å; F216-I568 HydrophobicContact CD1-CG2 4.17Å; F216-I568 HydrophobicContact CE1-CB 4.29Å; F216-I568 HydrophobicContact CE1-CG2 3.7Å; L217-I568 HydrophobicContact CD2-CD1 4.41Å; L217-I568 HydrophobicContact CD2-CG2 3.77Å; L217-I568 HydrophobicContact CG-CD1 4.32Å; F520-I568 HydrophobicContact CB-CG2 3.58Å; F520-I568 HydrophobicContact CD1-CG2 3.98Å; F520-I568 HydrophobicContact CG-CG2 3.88Å; K521-I568 CarbonylContact O-C 3.56Å; K521-I568 VanDerWaalsContact O-CA 3.31Å; K521-I568 WeakPolarHBondContact O-CA 3.48Å; I522-I568 HydrophobicContact CG1-CG1 4.22Å; I522-I568 HydrophobicContact CG1-CG2 4.19Å; E551-I568 CarbonylContact C-O 3.4Å; E551-I568 WeakPolarHBondContact CA-O 3.38Å; E551-I568 WeakPolarHBondContact CB-O 3.4Å; F552-I568 HydrophobicContact CB-CB 4.04Å; F552-I568 HydrophobicContact CB-CD1 4.26Å; F552-I568 HydrophobicContact CB-CG1 4.32Å; F552-I568 HydrophobicContact CD1-CD1 3.89Å; F552-I568 HydrophobicContact CD1-CG1 4.12Å; F552-I568 HydrophobicContact CG-CD1 4.31Å; F552-I568 PolarHBondContact N-O 3.38Å; F552-I568 PolarHBondContact O-N 3.09Å; I566-I568 HydrophobicContact CG2-CD1 4.18Å; I566-I568 HydrophobicContact CG2-CG1 3.79Å |
| 569 | G | 93 | Very high | 94.3 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | S | Bend | trans | 92.9 | -169.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K521 T571 | K521-G569 VanDerWaalsContact CE-O 3.29Å; K521-G569 WeakPolarHBondContact CE-O 3.17Å; K521-G569 PolarHBondContact O-N 3.14Å; G569-T571 PolarHBondContact O-N 2.92Å |
| 570 | E | 91.6 | Very high | 94.3 | Very high | 121 Ų | 121 | 27.8 Ų | 27.8 | 57% | 0.565 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -88.6 | 97.9 | 174.1 | -60.7 | -55.1 | 142.3 | 0 | 0 | 108.4 | K521 | K521-E570 WeakPolarHBondContact CE-OE2 3.49Å; K521-E570 IonicContact NZ-OE1 2.8Å; K521-E570 IonicContact NZ-OE2 3.77Å; K521-E570 PolarHBondContact NZ-OE2 2.94Å |
| 571 | T | 90.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 5% | 0.049 | 14% | 0.136 | C | C | . | . | trans | -102.9 | -23.7 | -172.4 | 58.6 | 0 | 0 | 0 | 0 | 113.8 | E551 I553 L567 G569 L573 | E551-T571 HydrophobicContact CB-CG2 4.31Å; I553-T571 HydrophobicContact CD1-CG2 3.84Å; I553-T571 HydrophobicContact CG1-CG2 3.59Å; L567-T571 HydrophobicContact CB-CG2 4.07Å; G569-T571 PolarHBondContact O-N 2.92Å; T571-L573 WeakPolarHBondContact O-CG 3.38Å; T571-L573 PolarHBondContact O-N 2.82Å | ||
| 572 | D | 87.5 | Confident | 94.2 | Very high | 135 Ų | 135 | 25.1 Ų | 25.1 | 72% | 0.722 | 13% | 0.129 | S | C | * | . | S | Bend | trans | 52.4 | 30.7 | -174.7 | -57.1 | -41.2 | 0 | 0 | 0 | 114.4 | E574 | D572-E574 WeakPolarHBondContact CA-OE2 3.37Å; D572-E574 PolarHBondContact N-OE2 2.82Å |
| 573 | L | 91.9 | Very high | 94.1 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 9% | 0.094 | 16% | 0.156 | C | C | . | . | trans | -115.2 | -1.2 | -178.2 | -72.4 | 175.3 | 0 | 0 | 0 | 112.5 | I553 L567 T571 E575 T576 L577 L595 L601 | I553-L573 HydrophobicContact CD1-CD1 4.1Å; I553-L573 HydrophobicContact CG1-CD1 4.26Å; I553-L573 HydrophobicContact CG2-CD1 4.44Å; L567-L573 HydrophobicContact CD1-CB 4.46Å; T571-L573 WeakPolarHBondContact O-CG 3.38Å; T571-L573 PolarHBondContact O-N 2.82Å; L573-E575 PolarHBondContact O-N 2.79Å; L573-T576 PolarHBondContact O-N 3.13Å; L573-L577 HydrophobicContact CB-CD1 4.34Å; L573-L577 HydrophobicContact CB-CG 4.18Å; L573-L577 WeakPolarHBondContact O-CB 3.46Å; L573-L577 VanDerWaalsContact O-CG 3.3Å; L573-L577 WeakPolarHBondContact O-CG 3.4Å; L573-L577 PolarHBondContact O-N 3.37Å; L573-L595 HydrophobicContact CD1-CD2 4.32Å; L573-L601 HydrophobicContact CD2-CD1 4.28Å | ||
| 574 | E | 92.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 31.8 Ų | 31.8 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -56 | -53.1 | -170 | -70.3 | 87.2 | 154.6 | 0 | 0 | 112.7 | I76 I80 K521 V523 L567 D572 E578 | I76-E574 HydrophobicContact CG2-CB 3.98Å; I76-E574 HydrophobicContact CG2-CG 4.32Å; I80-E574 HydrophobicContact CD1-CB 3.81Å; K521-E574 WeakPolarHBondContact CE-OE1 3.34Å; K521-E574 IonicContact NZ-OE1 3.5Å; K521-E574 PolarHBondContact NZ-OE1 3.31Å; V523-E574 HydrophobicContact CB-CG 4.3Å; V523-E574 HydrophobicContact CG1-CG 4.12Å; V523-E574 HydrophobicContact CG2-CG 3.85Å; L567-E574 HydrophobicContact CD1-CB 4.44Å; L567-E574 HydrophobicContact CD1-CG 3.97Å; D572-E574 WeakPolarHBondContact CA-OE2 3.37Å; D572-E574 PolarHBondContact N-OE2 2.82Å; E574-E578 VanDerWaalsContact O-CB 3.28Å; E574-E578 WeakPolarHBondContact O-CB 3.26Å; E574-E578 PolarHBondContact O-N 3.25Å |
| 575 | E | 91.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 34.3 Ų | 34.3 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71 | -42.3 | -178.2 | -179.6 | 165.9 | -157.7 | 0 | 0 | 111.8 | L573 L577 E578 N579 | L573-E575 PolarHBondContact O-N 2.79Å; E575-L577 PolarHBondContact O-N 3.29Å; E575-E578 PolarHBondContact O-N 3.04Å; E575-N579 WeakPolarHBondContact O-CB 3.27Å; E575-N579 PolarHBondContact O-N 2.85Å; E575-N579 PolarHBondContact O-ND2 2.82Å |
| 576 | T | 91.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 38 Ų | 38 | 17% | 0.172 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -51.3 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | L573 N579 L580 L601 F605 | L573-T576 PolarHBondContact O-N 3.13Å; T576-N579 PolarHBondContact O-N 3.38Å; T576-L580 HydrophobicContact CG2-CD1 4.25Å; T576-L580 VanDerWaalsContact O-CG 3.24Å; T576-L580 WeakPolarHBondContact O-CG 3.39Å; T576-L580 PolarHBondContact O-N 2.87Å; T576-L601 HydrophobicContact CG2-CB 3.87Å; T576-L601 HydrophobicContact CG2-CD1 3.96Å; T576-F605 HydrophobicContact CG2-CD2 4.28Å |
| 577 | L | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | -178.9 | -61 | -166.7 | 0 | 0 | 0 | 112.9 | L525 M562 A565 L567 L573 E575 L580 I581 | L525-L577 HydrophobicContact CD1-CB 3.88Å; M562-L577 HydrophobicContact CE-CD2 3.66Å; M562-L577 HydrophobicContact SD-CB 4.15Å; M562-L577 HydrophobicContact SD-CD1 4.42Å; M562-L577 HydrophobicContact SD-CD2 4.03Å; M562-L577 HydrophobicContact SD-CG 4.41Å; A565-L577 HydrophobicContact CB-CD1 3.84Å; L567-L577 HydrophobicContact CD1-CD1 4.25Å; L567-L577 HydrophobicContact CD2-CD1 3.58Å; L567-L577 HydrophobicContact CG-CD1 4.34Å; L573-L577 HydrophobicContact CB-CD1 4.34Å; L573-L577 HydrophobicContact CB-CG 4.18Å; L573-L577 WeakPolarHBondContact O-CB 3.46Å; L573-L577 VanDerWaalsContact O-CG 3.3Å; L573-L577 WeakPolarHBondContact O-CG 3.4Å; L573-L577 PolarHBondContact O-N 3.37Å; E575-L577 PolarHBondContact O-N 3.29Å; L577-L580 HydrophobicContact CD2-CD1 3.88Å; L577-L580 PolarHBondContact O-N 3.34Å; L577-I581 WeakPolarHBondContact O-CD1 3.37Å; L577-I581 VanDerWaalsContact O-CG1 3.28Å; L577-I581 WeakPolarHBondContact O-CG1 3.36Å; L577-I581 PolarHBondContact O-N 3.25Å |
| 578 | E | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.2 | -51.8 | 170.1 | 163.2 | 175.5 | 130.8 | 0 | 0 | 111.2 | S77 N78 M79 I80 L510 L525 E574 E575 L580 I581 L582 | S77-E578 WeakPolarHBondContact CB-OE1 3.22Å; S77-E578 WeakPolarHBondContact CB-OE2 3.48Å; S77-E578 PolarHBondContact OG-OE1 3.44Å; S77-E578 VanDerWaalsContact OG-OE1 3.11Å; S77-E578 PolarHBondContact OG-OE2 2.95Å; N78-E578 PolarHBondContact N-OE1 3.11Å; N78-E578 VanDerWaalsContact N-OE1 3.14Å; M79-E578 VanDerWaalsContact CB-OE2 3.31Å; M79-E578 WeakPolarHBondContact CB-OE2 3.33Å; M79-E578 HydrophobicContact CG-CG 4.48Å; M79-E578 PolarHBondContact N-OE1 3.09Å; M79-E578 PolarHBondContact N-OE2 2.71Å; I80-E578 WeakPolarHBondContact CD1-OE2 3.17Å; I80-E578 VanDerWaalsContact CG1-OE2 3.29Å; I80-E578 WeakPolarHBondContact CG1-OE2 3.38Å; L510-E578 HydrophobicContact CD2-CB 4.24Å; L510-E578 HydrophobicContact CD2-CG 3.79Å; L525-E578 HydrophobicContact CD1-CB 4.5Å; E574-E578 VanDerWaalsContact O-CB 3.28Å; E574-E578 WeakPolarHBondContact O-CB 3.26Å; E574-E578 PolarHBondContact O-N 3.25Å; E575-E578 PolarHBondContact O-N 3.04Å; E578-L580 VanDerWaalsContact C-N 3.34Å; E578-L580 PolarHBondContact O-N 2.91Å; E578-I581 PolarHBondContact O-N 2.93Å; E578-L582 HydrophobicContact CG-CD1 3.76Å; E578-L582 WeakPolarHBondContact O-CG 3.43Å; E578-L582 PolarHBondContact O-N 3.14Å |
| 579 | N | 93.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | -178.5 | -73.6 | -34.5 | 0 | 0 | 0 | 111.8 | E575 T576 I581 L582 N583 | E575-N579 WeakPolarHBondContact O-CB 3.27Å; E575-N579 PolarHBondContact O-N 2.85Å; E575-N579 PolarHBondContact O-ND2 2.82Å; T576-N579 PolarHBondContact O-N 3.38Å; N579-I581 VanDerWaalsContact C-N 3.34Å; N579-I581 PolarHBondContact O-N 2.97Å; N579-L582 PolarHBondContact O-N 2.86Å; N579-N583 WeakPolarHBondContact O-CB 3.23Å; N579-N583 VanDerWaalsContact O-CG 3.32Å; N579-N583 PolarHBondContact O-N 3.33Å; N579-N583 PolarHBondContact O-ND2 3.29Å |
| 580 | L | 94.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.5 | -72.6 | 178.4 | 0 | 0 | 0 | 112.7 | M562 T576 L577 E578 Q584 I585 L587 L594 F605 | M562-L580 HydrophobicContact CE-CD1 4.3Å; T576-L580 HydrophobicContact CG2-CD1 4.25Å; T576-L580 VanDerWaalsContact O-CG 3.24Å; T576-L580 WeakPolarHBondContact O-CG 3.39Å; T576-L580 PolarHBondContact O-N 2.87Å; L577-L580 HydrophobicContact CD2-CD1 3.88Å; L577-L580 PolarHBondContact O-N 3.34Å; E578-L580 VanDerWaalsContact C-N 3.34Å; E578-L580 PolarHBondContact O-N 2.91Å; L580-Q584 WeakPolarHBondContact O-CA 3.24Å; L580-Q584 PolarHBondContact O-N 2.95Å; L580-Q584 VanDerWaalsContact O-N 3.15Å; L580-I585 HydrophobicContact CD2-CB 4.24Å; L580-I585 HydrophobicContact CD2-CD1 4.07Å; L580-I585 PolarHBondContact O-N 3.26Å; L580-L587 HydrophobicContact CB-CD1 4.43Å; L580-L587 HydrophobicContact CD1-CD1 3.96Å; L580-L587 HydrophobicContact CD1-CD2 4.49Å; L580-L587 HydrophobicContact CD2-CD1 4.11Å; L580-L587 HydrophobicContact CD2-CD2 3.78Å; L580-L587 HydrophobicContact CD2-CG 4.42Å; L580-L587 HydrophobicContact CG-CD1 4.4Å; L580-L594 HydrophobicContact CD1-CD1 3.72Å; L580-F605 HydrophobicContact CD1-CE2 4.43Å; L580-F605 HydrophobicContact CD2-CD1 4.17Å; L580-F605 HydrophobicContact CD2-CD2 4.41Å; L580-F605 HydrophobicContact CD2-CE1 3.61Å; L580-F605 HydrophobicContact CD2-CE2 3.89Å; L580-F605 HydrophobicContact CD2-CZ 3.48Å; L580-F605 VanDerWaalsContact CD2-CZ 3.48Å |
| 581 | I | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.2 | -49.3 | 176.5 | -63 | 161.3 | 0 | 0 | 0 | 109.9 | H471 L510 L525 M562 L577 E578 N579 N583 Q584 | H471-I581 HydrophobicContact CB-CG2 4.09Å; L510-I581 HydrophobicContact CD1-CB 4.24Å; L510-I581 HydrophobicContact CD1-CG2 3.56Å; L525-I581 HydrophobicContact CB-CD1 3.72Å; M562-I581 HydrophobicContact CB-CG1 3.98Å; M562-I581 HydrophobicContact CG-CD1 4.24Å; M562-I581 HydrophobicContact CG-CG1 3.65Å; M562-I581 HydrophobicContact SD-CD1 4.13Å; M562-I581 HydrophobicContact SD-CG1 3.89Å; L577-I581 WeakPolarHBondContact O-CD1 3.37Å; L577-I581 VanDerWaalsContact O-CG1 3.28Å; L577-I581 WeakPolarHBondContact O-CG1 3.36Å; L577-I581 PolarHBondContact O-N 3.25Å; E578-I581 PolarHBondContact O-N 2.93Å; N579-I581 VanDerWaalsContact C-N 3.34Å; N579-I581 PolarHBondContact O-N 2.97Å; I581-N583 PolarHBondContact O-N 3.44Å; I581-Q584 WeakPolarHBondContact O-CG 3.38Å; I581-Q584 PolarHBondContact O-N 3.13Å; I581-Q584 VanDerWaalsContact O-N 3.17Å; I581-Q584 PolarHBondContact O-NE2 2.84Å |
| 582 | L | 94.4 | Very high | 91.3 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | -178.2 | -77.4 | 168.7 | 0 | 0 | 0 | 112.6 | M79 F506 E509 L510 E578 N579 Q584 | M79-L582 HydrophobicContact CG-CD1 4.21Å; F506-L582 HydrophobicContact CE1-CD1 3.8Å; F506-L582 HydrophobicContact CE1-CD2 4.17Å; F506-L582 HydrophobicContact CZ-CD1 3.92Å; F506-L582 HydrophobicContact CZ-CD2 3.76Å; F506-L582 HydrophobicContact CZ-CG 4.39Å; E509-L582 HydrophobicContact CB-CD2 4.17Å; L510-L582 HydrophobicContact CB-CD2 3.77Å; L510-L582 HydrophobicContact CB-CG 4.32Å; L510-L582 HydrophobicContact CD2-CD1 4.38Å; L510-L582 HydrophobicContact CD2-CD2 4.48Å; L510-L582 HydrophobicContact CD2-CG 4.1Å; E578-L582 HydrophobicContact CG-CD1 3.76Å; E578-L582 WeakPolarHBondContact O-CG 3.43Å; E578-L582 PolarHBondContact O-N 3.14Å; N579-L582 PolarHBondContact O-N 2.86Å; L582-Q584 PolarHBondContact O-N 3.08Å |
| 583 | N | 94 | Very high | 91.1 | Very high | 107 Ų | 107 | 52.3 Ų | 52.3 | 57% | 0.572 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -77.5 | -10.7 | -179.1 | -66.3 | -30.5 | 0 | 0 | 0 | 112.5 | N579 I581 I585 | N579-N583 WeakPolarHBondContact O-CB 3.23Å; N579-N583 VanDerWaalsContact O-CG 3.32Å; N579-N583 PolarHBondContact O-N 3.33Å; N579-N583 PolarHBondContact O-ND2 3.29Å; I581-N583 PolarHBondContact O-N 3.44Å; N583-I585 HydrophobicContact CB-CD1 4Å; N583-I585 HydrophobicContact CB-CG1 3.69Å; N583-I585 PolarHBondContact O-N 2.86Å |
| 584 | Q | 95.7 | Very high | 90.7 | Very high | 47 Ų | 47 | 51.5 Ų | 51.5 | 22% | 0.22 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 47.4 | -175.2 | -76.4 | -65.5 | -72.2 | 0 | 0 | 111.2 | H471 R561 M562 L580 I581 L582 | H471-Q584 VanDerWaalsContact CE1-CD 3.49Å; H471-Q584 PolarHBondContact CE1-NE2 3.27Å; H471-Q584 PolarHBondContact NE2-NE2 2.82Å; R561-Q584 WeakPolarHBondContact CD-O 3.49Å; R561-Q584 PolarHBondContact NH1-O 2.64Å; M562-Q584 PolarHBondContact O-NE2 3.04Å; L580-Q584 WeakPolarHBondContact O-CA 3.24Å; L580-Q584 PolarHBondContact O-N 2.95Å; L580-Q584 VanDerWaalsContact O-N 3.15Å; I581-Q584 WeakPolarHBondContact O-CG 3.38Å; I581-Q584 PolarHBondContact O-N 3.13Å; I581-Q584 VanDerWaalsContact O-N 3.17Å; I581-Q584 PolarHBondContact O-NE2 2.84Å; L582-Q584 PolarHBondContact O-N 3.08Å |
| 585 | I | 93.4 | Very high | 90.4 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | trans | -67.9 | 141.6 | -176.9 | -62.8 | 175.6 | 0 | 0 | 0 | 110 | L580 N583 L587 F605 | L580-I585 HydrophobicContact CD2-CB 4.24Å; L580-I585 HydrophobicContact CD2-CD1 4.07Å; L580-I585 PolarHBondContact O-N 3.26Å; N583-I585 HydrophobicContact CB-CD1 4Å; N583-I585 HydrophobicContact CB-CG1 3.69Å; N583-I585 PolarHBondContact O-N 2.86Å; I585-L587 HydrophobicContact CG2-CD2 4.12Å; I585-L587 PolarHBondContact O-N 3.29Å; I585-F605 HydrophobicContact CD1-CD1 3.86Å; I585-F605 HydrophobicContact CD1-CE1 3.91Å; I585-F605 HydrophobicContact CG2-CE1 4.32Å | ||
| 586 | D | 94.8 | Very high | 89.9 | Confident | 78 Ų | 78 | 48.8 Ų | 48.8 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | trans | -78.2 | 112.1 | 171.5 | -170.6 | -20.6 | 0 | 0 | 0 | 109.4 | R561 T588 | R561-D586 IonicContact NH2-OD2 2.7Å; D586-T588 VanDerWaalsContact OD1-CB 3.32Å; D586-T588 WeakPolarHBondContact OD1-CB 3.5Å; D586-T588 PolarHBondContact OD1-N 3.17Å; D586-T588 VanDerWaalsContact OD1-N 3.09Å; D586-T588 PolarHBondContact OD1-OG1 3.35Å | ||
| 587 | L | 93.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -102 | 6.8 | -173 | -64.1 | 168.5 | 0 | 0 | 0 | 112.8 | M557 G560 M562 L580 I585 N589 L590 E591 L594 F605 | M557-L587 HydrophobicContact CE-CB 4.29Å; M557-L587 HydrophobicContact CE-CD1 4.01Å; G560-L587 WeakPolarHBondContact O-CB 3.44Å; G560-L587 PolarHBondContact O-N 2.9Å; M562-L587 HydrophobicContact CB-CD1 4.47Å; M562-L587 HydrophobicContact CE-CD1 4.46Å; L580-L587 HydrophobicContact CB-CD1 4.43Å; L580-L587 HydrophobicContact CD1-CD1 3.96Å; L580-L587 HydrophobicContact CD1-CD2 4.49Å; L580-L587 HydrophobicContact CD2-CD1 4.11Å; L580-L587 HydrophobicContact CD2-CD2 3.78Å; L580-L587 HydrophobicContact CD2-CG 4.42Å; L580-L587 HydrophobicContact CG-CD1 4.4Å; I585-L587 HydrophobicContact CG2-CD2 4.12Å; I585-L587 PolarHBondContact O-N 3.29Å; L587-N589 PolarHBondContact O-N 3.49Å; L587-L590 HydrophobicContact CD2-CD1 4.27Å; L587-L590 PolarHBondContact O-N 3.43Å; L587-E591 WeakPolarHBondContact O-CG 3.47Å; L587-E591 PolarHBondContact O-N 3.16Å; L587-E591 VanDerWaalsContact O-N 3.09Å; L587-L594 HydrophobicContact CD1-CD1 4.38Å; L587-L594 HydrophobicContact CD1-CD2 4.19Å; L587-L594 HydrophobicContact CD2-CD1 4.42Å; L587-F605 HydrophobicContact CD2-CE1 4.32Å; L587-F605 HydrophobicContact CD2-CZ 3.83Å | ||
| 588 | T | 90.2 | Very high | 88.3 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 47% | 0.466 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -34.8 | -175.1 | -56.5 | 0 | 0 | 0 | 0 | 113.2 | D586 | D586-T588 VanDerWaalsContact OD1-CB 3.32Å; D586-T588 WeakPolarHBondContact OD1-CB 3.5Å; D586-T588 PolarHBondContact OD1-N 3.17Å; D586-T588 VanDerWaalsContact OD1-N 3.09Å; D586-T588 PolarHBondContact OD1-OG1 3.35Å |
| 589 | N | 86.7 | Confident | 87.1 | Confident | 156 Ų | 156 | 57.2 Ų | 57.2 | 83% | 0.834 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -4.5 | -178.8 | -60.4 | -45.6 | 0 | 0 | 0 | 114.7 | L587 | L587-N589 PolarHBondContact O-N 3.49Š|
| 590 | L | 85.9 | Confident | 86 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.225 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -4.9 | -175.7 | -63 | 176 | 0 | 0 | 0 | 112.9 | L587 D592 R593 L594 Y604 F605 | L587-L590 HydrophobicContact CD2-CD1 4.27Å; L587-L590 PolarHBondContact O-N 3.43Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.43Å; L590-R593 PolarHBondContact O-N 3.04Å; L590-L594 PolarHBondContact O-N 3.42Å; L590-Y604 HydrophobicContact CD2-CD1 4.22Å; L590-Y604 HydrophobicContact CD2-CE1 4.15Å; L590-F605 HydrophobicContact CD1-CZ 4.04Å |
| 591 | E | 84.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -53.9 | -44.7 | -172.6 | -57.1 | -173.2 | 165.6 | 0 | 0 | 113.6 | R253 Y541 L543 L587 R593 L594 | R253-E591 IonicContact CZ-OE2 2.67Å; R253-E591 IonicContact NH1-OE2 3.34Å; R253-E591 PolarHBondContact NH1-OE2 3.28Å; R253-E591 IonicContact NH2-OE2 2.82Å; Y541-E591 VanDerWaalsContact CZ-OE1 3.3Å; Y541-E591 PolarHBondContact OH-OE1 2.71Å; L543-E591 HydrophobicContact CD1-CB 4.08Å; L543-E591 HydrophobicContact CD1-CG 4.43Å; L543-E591 HydrophobicContact CD2-CB 4.43Å; L587-E591 WeakPolarHBondContact O-CG 3.47Å; L587-E591 PolarHBondContact O-N 3.16Å; L587-E591 VanDerWaalsContact O-N 3.09Å; E591-R593 PolarHBondContact O-N 3.05Å; E591-R593 VanDerWaalsContact O-N 3.13Å; E591-L594 PolarHBondContact O-N 3.46Å |
| 592 | D | 76.4 | Confident | 83.2 | Confident | 148 Ų | 148 | 61.7 Ų | 61.7 | 79% | 0.791 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65 | -18 | -177.6 | -64.9 | -29.4 | 0 | 0 | 0 | 112.9 | L590 | L590-D592 VanDerWaalsContact C-N 3.32Å; L590-D592 PolarHBondContact O-N 3.43Å |
| 593 | R | 81.8 | Confident | 81.6 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 50% | 0.498 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -108.9 | -15.8 | -177 | -67.5 | -178.1 | 179.9 | -169 | 1.6 | 113 | L590 E591 L595 D596 I599 Y604 | L590-R593 PolarHBondContact O-N 3.04Å; E591-R593 PolarHBondContact O-N 3.05Å; E591-R593 VanDerWaalsContact O-N 3.13Å; R593-L595 VanDerWaalsContact C-N 3.25Å; R593-L595 PolarHBondContact O-N 2.65Å; R593-D596 WeakPolarHBondContact O-CB 3.32Å; R593-D596 PolarHBondContact O-N 3.23Å; R593-D596 VanDerWaalsContact O-N 3.11Å; R593-I599 HydrophobicContact CB-CD1 3.51Å; R593-I599 HydrophobicContact CG-CD1 3.49Å; R593-I599 VanDerWaalsContact CG-CD1 3.49Å; R593-Y604 PolarHBondContact NH1-OH 3.24Å |
| 594 | L | 85.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.5 | -34.1 | -169.4 | -170 | 73.5 | 0 | 0 | 0 | 113.1 | L543 M562 L580 L587 L590 E591 L601 | L543-L594 HydrophobicContact CD1-CD2 3.83Å; M562-L594 HydrophobicContact CE-CD2 3.66Å; L580-L594 HydrophobicContact CD1-CD1 3.72Å; L587-L594 HydrophobicContact CD1-CD1 4.38Å; L587-L594 HydrophobicContact CD1-CD2 4.19Å; L587-L594 HydrophobicContact CD2-CD1 4.42Å; L590-L594 PolarHBondContact O-N 3.42Å; E591-L594 PolarHBondContact O-N 3.46Å; L594-L601 HydrophobicContact CD1-CD1 3.73Å; L594-L601 HydrophobicContact CD1-CD2 4.17Å; L594-L601 HydrophobicContact CG-CD1 4.26Å; L594-L601 WeakPolarHBondContact O-CD1 3.19Å |
| 595 | L | 85.6 | Confident | 78.1 | Confident | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 8.8 | -180 | -57.3 | -176.7 | 0 | 0 | 0 | 112.4 | I251 L543 R545 I553 L573 R593 P597 | I251-L595 WeakPolarHBondContact CD1-O 3.35Å; I251-L595 HydrophobicContact CG2-CB 4.48Å; L543-L595 HydrophobicContact CB-CD1 3.86Å; R545-L595 HydrophobicContact CB-CB 3.98Å; R545-L595 HydrophobicContact CB-CD1 4.15Å; R545-L595 WeakPolarHBondContact CD-O 3.48Å; R545-L595 PolarHBondContact NH1-O 3.04Å; I553-L595 HydrophobicContact CG2-CD1 4.17Å; I553-L595 HydrophobicContact CG2-CD2 3.68Å; L573-L595 HydrophobicContact CD1-CD2 4.32Å; R593-L595 VanDerWaalsContact C-N 3.25Å; R593-L595 PolarHBondContact O-N 2.65Å; L595-P597 VanDerWaalsContact O-CD 3.29Å; L595-P597 WeakPolarHBondContact O-CD 3.42Å |
| 596 | D | 81.6 | Confident | 76.1 | Confident | 44 Ų | 44 | 73.2 Ų | 73.2 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | trans | -72.6 | 113.5 | 176.5 | -168.6 | -17.2 | 0 | 0 | 0 | 109.3 | I251 R593 D598 I599 | I251-D596 HydrophobicContact CD1-CB 4.44Å; R593-D596 WeakPolarHBondContact O-CB 3.32Å; R593-D596 PolarHBondContact O-N 3.23Å; R593-D596 VanDerWaalsContact O-N 3.11Å; D596-D598 PolarHBondContact O-N 3.15Å; D596-D598 PolarHBondContact OD1-N 2.97Å; D596-D598 VanDerWaalsContact OD1-N 3.08Å; D596-I599 HydrophobicContact CB-CB 4.34Å; D596-I599 HydrophobicContact CB-CD1 3.89Å; D596-I599 HydrophobicContact CB-CG1 4.02Å; D596-I599 PolarHBondContact O-N 2.72Å; D596-I599 VanDerWaalsContact O-N 3.13Å | ||
| 597 | P | 76.5 | Confident | 75.1 | Confident | 56 Ų | 56 | 73 Ų | 73 | 36% | 0.364 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -17.9 | -179 | 30.6 | -38.4 | 0 | 0 | 0 | 113.3 | I245 L595 I599 | I245-P597 HydrophobicContact CD1-CG 3.64Å; I245-P597 HydrophobicContact CG1-CG 3.64Å; I245-P597 HydrophobicContact CG2-CG 4.48Å; L595-P597 VanDerWaalsContact O-CD 3.29Å; L595-P597 WeakPolarHBondContact O-CD 3.42Å; P597-I599 PolarHBondContact O-N 2.89Å |
| 598 | D | 74.8 | Confident | 74.2 | Confident | 112 Ų | 112 | 76.8 Ų | 76.8 | 60% | 0.599 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.9 | 177.1 | -68.7 | -17.8 | 0 | 0 | 0 | 112.1 | I245 D596 | I245-D598 WeakPolarHBondContact CD1-OD2 3.36Å; I245-D598 WeakPolarHBondContact CG1-OD1 3.48Å; D596-D598 PolarHBondContact O-N 3.15Å; D596-D598 PolarHBondContact OD1-N 2.97Å; D596-D598 VanDerWaalsContact OD1-N 3.08Å |
| 599 | I | 70.5 | Confident | 73.3 | Confident | 38 Ų | 38 | 76.8 Ų | 76.8 | 20% | 0.195 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -110.7 | 115.4 | -179.6 | -59.4 | -179.8 | 0 | 0 | 0 | 108.9 | R593 D596 P597 L601 Y604 | R593-I599 HydrophobicContact CB-CD1 3.51Å; R593-I599 HydrophobicContact CG-CD1 3.49Å; R593-I599 VanDerWaalsContact CG-CD1 3.49Å; D596-I599 HydrophobicContact CB-CB 4.34Å; D596-I599 HydrophobicContact CB-CD1 3.89Å; D596-I599 HydrophobicContact CB-CG1 4.02Å; D596-I599 PolarHBondContact O-N 2.72Å; D596-I599 VanDerWaalsContact O-N 3.13Å; P597-I599 PolarHBondContact O-N 2.89Å; I599-L601 PolarHBondContact O-N 3.32Å; I599-L601 VanDerWaalsContact O-N 3.14Å; I599-Y604 HydrophobicContact CG2-CD2 4.42Å; I599-Y604 HydrophobicContact CG2-CE2 3.68Å |
| 600 | D | 69.9 | Low | 72.5 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | trans | -72.4 | 108.6 | 168.8 | -162.3 | -21.7 | 0 | 0 | 0 | 109.1 | S602 | D600-S602 VanDerWaalsContact C-N 3.27Å; D600-S602 WeakPolarHBondContact OD1-CB 3.49Å; D600-S602 PolarHBondContact OD1-N 3.23Å; D600-S602 PolarHBondContact OD1-OG 3.07Å; D600-S602 PolarHBondContact OD2-OG 3.07Å | ||
| 601 | L | 68.6 | Low | 71.6 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -72.3 | -22.6 | 177.2 | -75.7 | 179.3 | 0 | 0 | 0 | 112.7 | L573 T576 L594 I599 D603 Y604 F605 | L573-L601 HydrophobicContact CD2-CD1 4.28Å; T576-L601 HydrophobicContact CG2-CB 3.87Å; T576-L601 HydrophobicContact CG2-CD1 3.96Å; L594-L601 HydrophobicContact CD1-CD1 3.73Å; L594-L601 HydrophobicContact CD1-CD2 4.17Å; L594-L601 HydrophobicContact CG-CD1 4.26Å; L594-L601 WeakPolarHBondContact O-CD1 3.19Å; I599-L601 PolarHBondContact O-N 3.32Å; I599-L601 VanDerWaalsContact O-N 3.14Å; L601-D603 PolarHBondContact O-N 3.11Å; L601-Y604 PolarHBondContact O-N 2.79Å; L601-F605 HydrophobicContact CB-CE2 4.49Å; L601-F605 HydrophobicContact CD2-CE2 4.38Å; L601-F605 VanDerWaalsContact O-CD2 3.24Å; L601-F605 WeakPolarHBondContact O-CD2 3.5Å |
| 602 | S | 63.4 | Low | 70.8 | Confident | 44 Ų | 44 | 77.9 Ų | 77.9 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -37 | 179.8 | 64.8 | 0 | 0 | 0 | 0 | 111 | D600 Y604 F605 D606 | D600-S602 VanDerWaalsContact C-N 3.27Å; D600-S602 WeakPolarHBondContact OD1-CB 3.49Å; D600-S602 PolarHBondContact OD1-N 3.23Å; D600-S602 PolarHBondContact OD1-OG 3.07Å; D600-S602 PolarHBondContact OD2-OG 3.07Å; S602-Y604 PolarHBondContact O-N 3.1Å; S602-F605 PolarHBondContact O-N 3.1Å; S602-F605 VanDerWaalsContact O-N 3.08Å; S602-D606 PolarHBondContact O-N 2.91Å; S602-D606 VanDerWaalsContact O-N 3.07Å |
| 603 | D | 60.9 | Low | 70.4 | Confident | 123 Ų | 123 | 72.9 Ų | 72.9 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -58.5 | -20.1 | 173.9 | -77.6 | -13 | 0 | 0 | 0 | 114.5 | L601 | L601-D603 PolarHBondContact O-N 3.11Å |
| 604 | Y | 58.5 | Low | 69.5 | Low | 106 Ų | 106 | 68.4 Ų | 68.4 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -92.5 | -19 | 179.3 | -74.9 | -94.9 | 0 | 0 | 0 | 113.7 | L590 R593 I599 L601 S602 | L590-Y604 HydrophobicContact CD2-CD1 4.22Å; L590-Y604 HydrophobicContact CD2-CE1 4.15Å; R593-Y604 PolarHBondContact NH1-OH 3.24Å; I599-Y604 HydrophobicContact CG2-CD2 4.42Å; I599-Y604 HydrophobicContact CG2-CE2 3.68Å; L601-Y604 PolarHBondContact O-N 2.79Å; S602-Y604 PolarHBondContact O-N 3.1Å |
| 605 | F | 58.6 | Low | 68.2 | Low | 70 Ų | 70 | 74 Ų | 74 | 31% | 0.307 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -120.3 | -4.1 | -171.7 | -60.3 | -68.2 | 0 | 0 | 0 | 114.5 | T576 L580 I585 L587 L590 L601 S602 | T576-F605 HydrophobicContact CG2-CD2 4.28Å; L580-F605 HydrophobicContact CD1-CE2 4.43Å; L580-F605 HydrophobicContact CD2-CD1 4.17Å; L580-F605 HydrophobicContact CD2-CD2 4.41Å; L580-F605 HydrophobicContact CD2-CE1 3.61Å; L580-F605 HydrophobicContact CD2-CE2 3.89Å; L580-F605 HydrophobicContact CD2-CZ 3.48Å; L580-F605 VanDerWaalsContact CD2-CZ 3.48Å; I585-F605 HydrophobicContact CD1-CD1 3.86Å; I585-F605 HydrophobicContact CD1-CE1 3.91Å; I585-F605 HydrophobicContact CG2-CE1 4.32Å; L587-F605 HydrophobicContact CD2-CE1 4.32Å; L587-F605 HydrophobicContact CD2-CZ 3.83Å; L590-F605 HydrophobicContact CD1-CZ 4.04Å; L601-F605 HydrophobicContact CB-CE2 4.49Å; L601-F605 HydrophobicContact CD2-CE2 4.38Å; L601-F605 VanDerWaalsContact O-CD2 3.24Å; L601-F605 WeakPolarHBondContact O-CD2 3.5Å; S602-F605 PolarHBondContact O-N 3.1Å; S602-F605 VanDerWaalsContact O-N 3.08Å |
| 606 | D | 49.9 | Very low | 66.7 | Low | 191 Ų | 191 | 80.5 Ų | 80.5 | 100% | 1.021 | 42% | 0.422 | S | S | * | . | trans | -65.9 | 0 | 159.9 | -82 | -6.6 | 0 | 0 | 0 | 111.9 | S602 | S602-D606 PolarHBondContact O-N 2.91Å; S602-D606 VanDerWaalsContact O-N 3.07Å |
Retrieved 606 of 606 residues in 122.1 ms
(Link to these results)