| 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 | 38.2 | Very low | 42.9 | Very low | 244 Ų | 244 | 120.3 Ų | 120.3 | 100% | 1.202 | 75% | 0.747 | S | S | * | * | 0 | 98.7 | 0 | -75.1 | 168.9 | 172.1 | 0 | 0 | 106.7 | |||||
| 2 | S | 36.3 | Very low | 44.4 | Very low | 121 Ų | 121 | 115.2 Ų | 115.2 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | trans | -108.6 | 97.9 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 107.7 | V4 | S2-V4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 40.1 | Very low | 45.7 | Very low | 74 Ų | 74 | 114.5 Ų | 114.5 | 76% | 0.763 | 70% | 0.7 | S | S | * | * | trans | -77.1 | 108.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | V5 | G3-V5 PolarHBondContact O-N 3.31Š| ||
| 4 | V | 42 | Very low | 47.8 | Very low | 121 Ų | 121 | 107.2 Ų | 107.2 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | trans | -76.1 | 113 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | S2 R6 | S2-V4 PolarHBondContact O-N 3.28Å; V4-R6 PolarHBondContact O-N 2.83Å | ||
| 5 | V | 40.1 | Very low | 50.1 | Low | 138 Ų | 138 | 103.9 Ų | 103.9 | 84% | 0.836 | 63% | 0.627 | S | S | * | * | trans | -63.1 | 113.4 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 107.8 | G3 G7 | G3-V5 PolarHBondContact O-N 3.31Å; V5-G7 PolarHBondContact O-N 2.92Å | ||
| 6 | R | 40.7 | Very low | 52.3 | Low | 206 Ų | 206 | 97.4 Ų | 97.4 | 78% | 0.777 | 59% | 0.587 | S | S | * | * | trans | -78 | 111.9 | 177.8 | -70.5 | 177 | 166.3 | -174.5 | -8.6 | 109.3 | V4 | V4-R6 PolarHBondContact O-N 2.83Š| ||
| 7 | G | 40.6 | Very low | 54.4 | Low | 57 Ų | 57 | 95.1 Ų | 95.1 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | trans | -62.6 | 156.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V5 A9 | V5-G7 PolarHBondContact O-N 2.92Å; G7-A9 PolarHBondContact O-N 2.79Å | ||
| 8 | P | 45.4 | Very low | 56.1 | Low | 132 Ų | 132 | 89.8 Ų | 89.8 | 86% | 0.857 | 54% | 0.535 | S | S | * | . | trans | -58.9 | 132.6 | 176.1 | 26.5 | -32.8 | 0 | 0 | 0 | 108.9 | G10 | P8-G10 PolarHBondContact O-N 3.12Š| ||
| 9 | A | 49.1 | Very low | 57.6 | Low | 83 Ų | 83 | 85.1 Ų | 85.1 | 69% | 0.686 | 51% | 0.507 | S | S | * | . | trans | -50 | 102.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G7 | G7-A9 PolarHBondContact O-N 2.79Š| ||
| 10 | G | 45.6 | Very low | 58.9 | Low | 28 Ų | 28 | 84 Ų | 84 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | trans | -60.3 | 160.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P8 N12 | P8-G10 PolarHBondContact O-N 3.12Å; G10-N12 PolarHBondContact O-N 3.41Å; G10-N12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | N | 54 | Low | 60 | Low | 119 Ų | 119 | 80.1 Ų | 80.1 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | trans | -38.8 | 118.7 | -172.5 | -71.7 | -34.1 | 0 | 0 | 0 | 112.3 | D13 C14 | N11-D13 PolarHBondContact O-N 3.37Å; N11-C14 PolarHBondContact O-N 3.18Å; N11-C14 VanDerWaalsContact O-N 3.1Å | ||
| 12 | N | 60.7 | Low | 61.9 | Low | 59 Ų | 59 | 68.8 Ų | 68.8 | 32% | 0.316 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -9.2 | -179.7 | -62.1 | -76.3 | 0 | 0 | 0 | 113.2 | G10 C14 S89 | G10-N12 PolarHBondContact O-N 3.41Å; G10-N12 VanDerWaalsContact O-N 3.11Å; N12-C14 VanDerWaalsContact C-N 3.34Å; N12-S89 WeakPolarHBondContact OD1-CB 3.5Å |
| 13 | D | 61.8 | Low | 63.8 | Low | 106 Ų | 106 | 67.4 Ų | 67.4 | 57% | 0.567 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -21.8 | 177.6 | -54.3 | -53.4 | 0 | 0 | 0 | 112.8 | N11 P62 | N11-D13 PolarHBondContact O-N 3.37Å; D13-P62 HydrophobicContact CB-CB 4.31Å |
| 14 | C | 74.4 | Confident | 65.7 | Low | 13 Ų | 13 | 70 Ų | 70 | 9% | 0.088 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -99.2 | -0 | 179 | -45.5 | 0 | 0 | 0 | 0 | 113.2 | N11 N12 F59 P62 | N11-C14 PolarHBondContact O-N 3.18Å; N11-C14 VanDerWaalsContact O-N 3.1Å; N12-C14 VanDerWaalsContact C-N 3.34Å; C14-F59 WeakPolarHBondContact CB-O 3.28Å; C14-F59 PolarHBondContact O-N 2.75Å; C14-P62 VanDerWaalsContact SG-CD 3.51Å |
| 15 | R | 82.9 | Confident | 67.7 | Low | 57 Ų | 57 | 65 Ų | 65 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 137.5 | -176 | -160.6 | 177.8 | -169.7 | -171.8 | -0.8 | 110.2 | D44 F56 I57 E58 P87 | R15-D44 IonicContact NH2-OD2 3.4Å; R15-D44 PolarHBondContact NH2-OD2 2.82Å; R15-F56 HydrophobicContact CG-CB 4.42Å; R15-F56 VanDerWaalsContact NE-CB 3.29Å; R15-F56 VanDerWaalsContact NH2-CB 3.26Å; R15-I57 CarbonylContact C-O 3.57Å; R15-I57 VanDerWaalsContact CA-O 3.29Å; R15-I57 WeakPolarHBondContact CA-O 3.07Å; R15-I57 WeakPolarHBondContact CG-O 3.49Å; R15-E58 HydrophobicContact CG-CB 4.39Å; R15-P87 HydrophobicContact CB-CG 3.85Å; R15-P87 HydrophobicContact CG-CG 3.97Å; R15-P87 WeakPolarHBondContact O-CD 3.14Å; R15-P87 WeakPolarHBondContact O-CG 3.24Å |
| 16 | I | 85.3 | Confident | 69.8 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.1 | 172.6 | 67.4 | 161.3 | 0 | 0 | 0 | 109.8 | V18 F34 F56 I57 F59 A65 A68 V69 V84 F86 | I16-V18 HydrophobicContact CD1-CG2 3.97Å; I16-V18 HydrophobicContact CG1-CG2 4.36Å; I16-F34 HydrophobicContact CD1-CD1 3.8Å; I16-F34 HydrophobicContact CD1-CE1 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.26Å; I16-F56 CarbonylContact O-C 3.55Å; I16-F56 VanDerWaalsContact O-CA 3.24Å; I16-F56 WeakPolarHBondContact O-CA 3.4Å; I16-I57 HydrophobicContact CD1-CB 4.19Å; I16-I57 HydrophobicContact CD1-CD1 4.05Å; I16-I57 HydrophobicContact CG1-CB 3.69Å; I16-I57 HydrophobicContact CG1-CD1 4.4Å; I16-I57 HydrophobicContact CG1-CG1 4.37Å; I16-I57 PolarHBondContact N-O 2.75Å; I16-I57 PolarHBondContact O-N 3.45Å; I16-F59 HydrophobicContact CD1-CE2 3.51Å; I16-F59 HydrophobicContact CD1-CZ 4.17Å; I16-F59 HydrophobicContact CG1-CD2 4.31Å; I16-F59 HydrophobicContact CG1-CE2 3.71Å; I16-F59 HydrophobicContact CG2-CD2 4.33Å; I16-F59 HydrophobicContact CG2-CE2 4.19Å; I16-A65 HydrophobicContact CG2-CB 3.76Å; I16-A65 WeakPolarHBondContact CG2-O 3.5Å; I16-A68 HydrophobicContact CD1-CB 4.13Å; I16-V69 HydrophobicContact CB-CG2 4.1Å; I16-V69 HydrophobicContact CG2-CG2 3.54Å; I16-V84 HydrophobicContact CB-CG1 4.3Å; I16-V84 HydrophobicContact CD1-CG1 3.65Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; I16-F86 HydrophobicContact CG2-CD1 4.44Å; I16-F86 HydrophobicContact CG2-CE1 4.33Å |
| 17 | Y | 87.1 | Confident | 71.8 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128 | 172.2 | 166.2 | -95 | 0 | 0 | 0 | 108.3 | F54 F56 V84 E85 | Y17-F54 HydrophobicContact CD2-CB 4.49Å; Y17-F54 HydrophobicContact CD2-CD2 4.44Å; Y17-F54 HydrophobicContact CE2-CB 3.56Å; Y17-F54 AromaticContact CE2-CD2 3.8Å; Y17-F54 HydrophobicContact CE2-CD2 3.8Å; Y17-F54 AromaticContact CE2-CG 3.88Å; Y17-F54 HydrophobicContact CE2-CG 3.88Å; Y17-F56 HydrophobicContact CD2-CD1 4.02Å; Y17-F56 AromaticContact CD2-CE1 3.5Å; Y17-F56 HydrophobicContact CD2-CE1 3.5Å; Y17-F56 AromaticContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CE2-CE1 4.48Å; Y17-F56 HydrophobicContact CE2-CZ 4.41Å; Y17-F56 HydrophobicContact CG-CE1 4.19Å; Y17-V84 CarbonylContact O-C 3.5Å; Y17-V84 VanDerWaalsContact O-CA 3.28Å; Y17-V84 WeakPolarHBondContact O-CA 3.48Å; Y17-E85 WeakPolarHBondContact CA-O 3.49Å; Y17-E85 VanDerWaalsContact CB-O 3.28Å; Y17-E85 WeakPolarHBondContact CB-O 3.44Å; Y17-E85 HydrophobicContact CD1-CB 4.34Å; Y17-E85 PolarHBondContact N-O 3.28Å; Y17-E85 PolarHBondContact O-N 3.12Å |
| 18 | V | 86.6 | Confident | 73.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 109.7 | 176.5 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | I16 L21 F34 F54 A55 I57 R83 V84 | I16-V18 HydrophobicContact CD1-CG2 3.97Å; I16-V18 HydrophobicContact CG1-CG2 4.36Å; V18-L21 HydrophobicContact CB-CD1 4.28Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CD2 3.67Å; V18-L21 HydrophobicContact CG1-CG 3.89Å; V18-F34 HydrophobicContact CB-CZ 4.46Å; V18-F34 HydrophobicContact CG1-CE2 4.07Å; V18-F34 HydrophobicContact CG1-CZ 4.01Å; V18-F34 HydrophobicContact CG2-CE1 4.26Å; V18-F34 HydrophobicContact CG2-CE2 3.83Å; V18-F34 HydrophobicContact CG2-CZ 3.54Å; V18-F54 CarbonylContact O-C 3.46Å; V18-F54 WeakPolarHBondContact O-CA 3.44Å; V18-F54 WeakPolarHBondContact O-CB 3.37Å; V18-A55 PolarHBondContact N-O 3.21Å; V18-A55 PolarHBondContact O-N 3.4Å; V18-I57 HydrophobicContact CG2-CD1 3.72Å; V18-I57 HydrophobicContact CG2-CG1 4.22Å; V18-R83 CarbonylContact C-O 3.48Å; V18-R83 VanDerWaalsContact CA-O 3.28Å; V18-R83 WeakPolarHBondContact CA-O 3.13Å; V18-V84 HydrophobicContact CG1-CG2 4.29Å; V18-V84 HydrophobicContact CG2-CG1 4.31Å; V18-V84 HydrophobicContact CG2-CG2 4.42Å |
| 19 | G | 84.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 168.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L21 R83 | G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.38Å; G19-R83 PolarHBondContact N-O 2.83Å; G19-R83 PolarHBondContact O-N 3.47Å |
| 20 | N | 83.1 | Confident | 77.5 | Confident | 64 Ų | 64 | 56.7 Ų | 56.7 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 59.6 | 37.4 | -179.4 | -159.8 | 49.4 | 0 | 0 | 0 | 113.2 | R81 | N20-R81 WeakPolarHBondContact CB-O 3.1Å; N20-R81 PolarHBondContact ND2-O 3.26Å |
| 21 | L | 82.4 | Confident | 79.4 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | trans | -77.4 | 150.1 | 174.8 | -66.1 | 160.4 | 0 | 0 | 0 | 110.4 | V18 G19 I25 V30 P53 A55 L82 | V18-L21 HydrophobicContact CB-CD1 4.28Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CD2 3.67Å; V18-L21 HydrophobicContact CG1-CG 3.89Å; G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.38Å; L21-I25 HydrophobicContact CB-CB 4.25Å; L21-I25 HydrophobicContact CB-CG1 4.36Å; L21-I25 HydrophobicContact CB-CG2 3.65Å; L21-I25 HydrophobicContact CD1-CG2 4.37Å; L21-I25 HydrophobicContact CD2-CD1 4.29Å; L21-I25 HydrophobicContact CD2-CG1 4.11Å; L21-V30 HydrophobicContact CD1-CG2 4.28Å; L21-V30 HydrophobicContact CD2-CG2 4.41Å; L21-P53 HydrophobicContact CB-CB 4.31Å; L21-P53 PolarHBondContact N-O 3.12Å; L21-P53 VanDerWaalsContact O-CD 3.27Å; L21-P53 WeakPolarHBondContact O-CD 3.24Å; L21-A55 HydrophobicContact CD1-CB 3.63Å; L21-L82 HydrophobicContact CD2-CD1 4.44Å; L21-L82 HydrophobicContact CD2-CD2 3.6Å; L21-L82 HydrophobicContact CG-CD2 4.4Å | ||
| 22 | P | 78 | Confident | 80.8 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | trans | -58.9 | 149 | 176.6 | 10.1 | -17 | 0 | 0 | 0 | 112 | D24 I25 Y77 Y80 | P22-D24 PolarHBondContact O-N 2.92Å; P22-D24 VanDerWaalsContact O-N 3.16Å; P22-I25 HydrophobicContact CG-CB 4.02Å; P22-I25 HydrophobicContact CG-CD1 3.94Å; P22-I25 VanDerWaalsContact O-CB 3.23Å; P22-I25 WeakPolarHBondContact O-CB 3.39Å; P22-I25 WeakPolarHBondContact O-CG2 3.25Å; P22-I25 PolarHBondContact O-N 2.68Å; P22-Y77 HydrophobicContact CG-CD1 3.99Å; P22-Y77 HydrophobicContact CG-CE1 4.3Å; P22-Y80 HydrophobicContact CB-CD2 3.64Å; P22-Y80 HydrophobicContact CB-CE2 3.76Å; P22-Y80 HydrophobicContact CB-CG 4.13Å; P22-Y80 HydrophobicContact CG-CD2 4.17Å | ||
| 23 | P | 76.3 | Confident | 81.8 | Confident | 91 Ų | 91 | 57.6 Ų | 57.6 | 59% | 0.591 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.4 | 179.5 | 25.1 | -33.6 | 0 | 0 | 0 | 114.1 | ||
| 24 | D | 80.2 | Confident | 82.8 | Confident | 129 Ų | 129 | 52.6 Ų | 52.6 | 69% | 0.69 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.7 | 178.1 | -144.3 | -97.3 | 0 | 0 | 0 | 113.6 | P22 R26 | P22-D24 PolarHBondContact O-N 2.92Å; P22-D24 VanDerWaalsContact O-N 3.16Å; D24-R26 PolarHBondContact O-N 3.3Å |
| 25 | I | 82.9 | Confident | 83.2 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | trans | -59.1 | 133.3 | -177 | -161.4 | 83 | 0 | 0 | 0 | 111.5 | L21 P22 D29 V30 L45 P53 Y77 | L21-I25 HydrophobicContact CB-CB 4.25Å; L21-I25 HydrophobicContact CB-CG1 4.36Å; L21-I25 HydrophobicContact CB-CG2 3.65Å; L21-I25 HydrophobicContact CD1-CG2 4.37Å; L21-I25 HydrophobicContact CD2-CD1 4.29Å; L21-I25 HydrophobicContact CD2-CG1 4.11Å; P22-I25 HydrophobicContact CG-CB 4.02Å; P22-I25 HydrophobicContact CG-CD1 3.94Å; P22-I25 VanDerWaalsContact O-CB 3.23Å; P22-I25 WeakPolarHBondContact O-CB 3.39Å; P22-I25 WeakPolarHBondContact O-CG2 3.25Å; P22-I25 PolarHBondContact O-N 2.68Å; I25-D29 HydrophobicContact CD1-CB 3.65Å; I25-D29 HydrophobicContact CG1-CB 4.2Å; I25-V30 HydrophobicContact CD1-CG2 4.4Å; I25-V30 HydrophobicContact CG1-CG2 3.71Å; I25-L45 HydrophobicContact CG2-CD1 3.98Å; I25-P53 HydrophobicContact CG2-CB 4.34Å; I25-Y77 HydrophobicContact CD1-CD1 4.21Å; I25-Y77 HydrophobicContact CD1-CE1 3.74Å | ||
| 26 | R | 85.3 | Confident | 83 | Confident | 169 Ų | 169 | 62.9 Ų | 62.9 | 64% | 0.638 | 30% | 0.3 | S | S | * | . | trans | -110.5 | 163.8 | 174 | -55.7 | -178.7 | 176.8 | -173.2 | -1.2 | 110.6 | D24 K28 D29 V30 | D24-R26 PolarHBondContact O-N 3.3Å; R26-K28 PolarHBondContact O-N 2.97Å; R26-D29 WeakPolarHBondContact CA-OD2 3.22Å; R26-D29 VanDerWaalsContact CB-OD2 3.24Å; R26-D29 WeakPolarHBondContact CB-OD2 3.35Å; R26-D29 PolarHBondContact N-OD2 3.42Å; R26-D29 PolarHBondContact O-N 2.88Å; R26-V30 PolarHBondContact O-N 2.8Å; R26-V30 VanDerWaalsContact O-N 3.12Å | ||
| 27 | T | 82.8 | Confident | 82.7 | Confident | 65 Ų | 65 | 65 Ų | 65 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -52.1 | -37.9 | 174.2 | -51.2 | 0 | 0 | 0 | 0 | 112 | V30 E31 I43 | T27-V30 PolarHBondContact O-N 3.11Å; T27-E31 PolarHBondContact O-N 2.76Å; T27-I43 HydrophobicContact CG2-CB 3.71Å; T27-I43 HydrophobicContact CG2-CD1 4.08Å; T27-I43 HydrophobicContact CG2-CG1 4.46Å; T27-I43 HydrophobicContact CG2-CG2 3.71Å |
| 28 | K | 83.7 | Confident | 82.3 | Confident | 157 Ų | 157 | 62.8 Ų | 62.8 | 68% | 0.683 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 177 | -69 | -171.1 | 174.3 | -170.5 | 0 | 113.2 | R26 V30 E31 D32 | R26-K28 PolarHBondContact O-N 2.97Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.48Å; K28-E31 WeakPolarHBondContact O-CB 3.44Å; K28-E31 PolarHBondContact O-N 2.96Å; K28-E31 VanDerWaalsContact O-N 3.12Å; K28-D32 PolarHBondContact O-N 3.3Å |
| 29 | D | 85.4 | Confident | 82.1 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 178.7 | -51.1 | -60.4 | 0 | 0 | 0 | 110.6 | I25 R26 D32 V33 | I25-D29 HydrophobicContact CD1-CB 3.65Å; I25-D29 HydrophobicContact CG1-CB 4.2Å; R26-D29 WeakPolarHBondContact CA-OD2 3.22Å; R26-D29 VanDerWaalsContact CB-OD2 3.24Å; R26-D29 WeakPolarHBondContact CB-OD2 3.35Å; R26-D29 PolarHBondContact N-OD2 3.42Å; R26-D29 PolarHBondContact O-N 2.88Å; D29-D32 PolarHBondContact O-N 2.83Å; D29-V33 WeakPolarHBondContact O-CB 3.48Å; D29-V33 WeakPolarHBondContact O-CG2 3.28Å; D29-V33 PolarHBondContact O-N 2.87Å; D29-V33 VanDerWaalsContact O-N 3.08Å |
| 30 | V | 84 | Confident | 82.1 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | L21 I25 R26 T27 K28 V33 F34 I43 L45 A55 I57 | L21-V30 HydrophobicContact CD1-CG2 4.28Å; L21-V30 HydrophobicContact CD2-CG2 4.41Å; I25-V30 HydrophobicContact CD1-CG2 4.4Å; I25-V30 HydrophobicContact CG1-CG2 3.71Å; R26-V30 PolarHBondContact O-N 2.8Å; R26-V30 VanDerWaalsContact O-N 3.12Å; T27-V30 PolarHBondContact O-N 3.11Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.48Å; V30-V33 PolarHBondContact O-N 3.45Å; V30-F34 HydrophobicContact CG1-CD2 4.01Å; V30-F34 HydrophobicContact CG1-CE2 4.37Å; V30-F34 VanDerWaalsContact O-CD2 3.25Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.13Å; V30-I43 HydrophobicContact CB-CG2 4.47Å; V30-I43 HydrophobicContact CG1-CG2 4.09Å; V30-L45 HydrophobicContact CG2-CD1 4.24Å; V30-A55 HydrophobicContact CG1-CB 4.4Å; V30-A55 HydrophobicContact CG2-CB 4.46Å; V30-I57 HydrophobicContact CG1-CD1 3.3Å; V30-I57 HydrophobicContact CG1-CG1 3.77Å |
| 31 | E | 85.7 | Confident | 82.1 | Confident | 88 Ų | 88 | 73.5 Ų | 73.5 | 41% | 0.411 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 175.1 | -166 | 177.4 | 172.5 | 0 | 0 | 111.5 | T27 K28 V33 F34 Y35 I40 I43 | T27-E31 PolarHBondContact O-N 2.76Å; K28-E31 WeakPolarHBondContact O-CB 3.44Å; K28-E31 PolarHBondContact O-N 2.96Å; K28-E31 VanDerWaalsContact O-N 3.12Å; E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 PolarHBondContact O-N 2.78Å; E31-F34 PolarHBondContact O-N 3.42Å; E31-F34 VanDerWaalsContact O-N 3.13Å; E31-Y35 WeakPolarHBondContact O-CA 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.43Å; E31-Y35 PolarHBondContact O-N 3.39Å; E31-I40 HydrophobicContact CG-CD1 4.11Å; E31-I43 HydrophobicContact CB-CD1 3.66Å; E31-I43 HydrophobicContact CG-CD1 4.07Å |
| 32 | D | 83.6 | Confident | 82 | Confident | 122 Ų | 122 | 77.6 Ų | 77.6 | 65% | 0.652 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.2 | -37.5 | -179 | -74.9 | -29.4 | 0 | 0 | 0 | 112.7 | K28 D29 | K28-D32 PolarHBondContact O-N 3.3Å; D29-D32 PolarHBondContact O-N 2.83Å |
| 33 | V | 82.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 78.5 Ų | 78.5 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.9 | -34.9 | 178.8 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | D29 V30 E31 R72 Y77 L82 | D29-V33 WeakPolarHBondContact O-CB 3.48Å; D29-V33 WeakPolarHBondContact O-CG2 3.28Å; D29-V33 PolarHBondContact O-N 2.87Å; D29-V33 VanDerWaalsContact O-N 3.08Å; V30-V33 PolarHBondContact O-N 3.45Å; E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 PolarHBondContact O-N 2.78Å; V33-R72 HydrophobicContact CG1-CG 4.48Å; V33-Y77 HydrophobicContact CG2-CD2 4.15Å; V33-Y77 HydrophobicContact CG2-CE2 3.83Å; V33-L82 HydrophobicContact CG1-CD1 4.43Å |
| 34 | F | 82.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -103 | -14.8 | -171.6 | -74.8 | -83.9 | 0 | 0 | 0 | 114.2 | I16 V18 V30 E31 K36 Y37 I40 I57 F59 A68 R72 V84 | I16-F34 HydrophobicContact CD1-CD1 3.8Å; I16-F34 HydrophobicContact CD1-CE1 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.26Å; V18-F34 HydrophobicContact CB-CZ 4.46Å; V18-F34 HydrophobicContact CG1-CE2 4.07Å; V18-F34 HydrophobicContact CG1-CZ 4.01Å; V18-F34 HydrophobicContact CG2-CE1 4.26Å; V18-F34 HydrophobicContact CG2-CE2 3.83Å; V18-F34 HydrophobicContact CG2-CZ 3.54Å; V30-F34 HydrophobicContact CG1-CD2 4.01Å; V30-F34 HydrophobicContact CG1-CE2 4.37Å; V30-F34 VanDerWaalsContact O-CD2 3.25Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.13Å; E31-F34 PolarHBondContact O-N 3.42Å; E31-F34 VanDerWaalsContact O-N 3.13Å; F34-K36 PolarHBondContact O-N 3.4Å; F34-K36 VanDerWaalsContact O-N 3.16Å; F34-Y37 HydrophobicContact CD1-CD2 4.36Å; F34-Y37 PolarHBondContact O-N 3.38Å; F34-I40 HydrophobicContact CB-CD1 3.87Å; F34-I57 HydrophobicContact CB-CD1 3.96Å; F34-I57 HydrophobicContact CD1-CD1 4Å; F34-I57 HydrophobicContact CD2-CD1 3.28Å; F34-I57 HydrophobicContact CE1-CD1 4.32Å; F34-I57 HydrophobicContact CE2-CD1 3.67Å; F34-I57 HydrophobicContact CG-CD1 3.46Å; F34-I57 VanDerWaalsContact CG-CD1 3.46Å; F34-I57 HydrophobicContact CZ-CD1 4.17Å; F34-F59 HydrophobicContact CB-CZ 4.11Å; F34-F59 HydrophobicContact CD1-CZ 4.14Å; F34-A68 HydrophobicContact CD1-CB 4.01Å; F34-A68 HydrophobicContact CE1-CB 4.3Å; F34-R72 HydrophobicContact CE1-CB 3.93Å; F34-R72 HydrophobicContact CE1-CG 4.11Å; F34-R72 HydrophobicContact CZ-CB 4.15Å; F34-R72 HydrophobicContact CZ-CG 4.42Å; F34-V84 HydrophobicContact CE1-CG1 4.22Å; F34-V84 HydrophobicContact CE1-CG2 4.15Å; F34-V84 HydrophobicContact CZ-CG1 4.46Å; F34-V84 HydrophobicContact CZ-CG2 3.79Å |
| 35 | Y | 82.1 | Confident | 83 | Confident | 164 Ų | 164 | 72.6 Ų | 72.6 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32.4 | 178.6 | 178.3 | -95.5 | 0 | 0 | 0 | 113 | E31 Y37 G38 | E31-Y35 WeakPolarHBondContact O-CA 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.43Å; E31-Y35 PolarHBondContact O-N 3.39Å; Y35-Y37 PolarHBondContact O-N 3.1Å; Y35-G38 PolarHBondContact O-N 3.31Å |
| 36 | K | 79.7 | Confident | 82.9 | Confident | 122 Ų | 122 | 77 Ų | 77 | 53% | 0.53 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -15.4 | 179.6 | 70.7 | 178.2 | -172.4 | 167 | 0 | 114.7 | F34 | F34-K36 PolarHBondContact O-N 3.4Å; F34-K36 VanDerWaalsContact O-N 3.16Å |
| 37 | Y | 78.6 | Confident | 82.4 | Confident | 44 Ų | 44 | 74 Ų | 74 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -28.3 | -179.2 | -63.4 | -80 | 0 | 0 | 0 | 112.6 | F34 Y35 D64 D67 A68 G71 R72 | F34-Y37 HydrophobicContact CD1-CD2 4.36Å; F34-Y37 PolarHBondContact O-N 3.38Å; Y35-Y37 PolarHBondContact O-N 3.1Å; Y37-D64 WeakPolarHBondContact O-CB 3.47Å; Y37-D67 HydrophobicContact CD1-CB 4.33Å; Y37-A68 HydrophobicContact CD1-CB 4.45Å; Y37-A68 HydrophobicContact CD2-CB 4.16Å; Y37-A68 HydrophobicContact CG-CB 3.92Å; Y37-G71 PolarHBondContact OH-O 3.18Å; Y37-R72 HydrophobicContact CD2-CG 4.5Å; Y37-R72 HydrophobicContact CE2-CG 3.41Å; Y37-R72 VanDerWaalsContact CE2-CG 3.41Å; Y37-R72 WeakPolarHBondContact OH-CD 3.29Å; Y37-R72 WeakPolarHBondContact OH-CG 3.14Å; Y37-R72 PolarHBondContact OH-NE 3Å |
| 38 | G | 79.6 | Confident | 81.7 | Confident | 13 Ų | 13 | 78.6 Ų | 78.6 | 13% | 0.134 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 171.9 | 175.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y35 I40 D64 | Y35-G38 PolarHBondContact O-N 3.31Å; G38-I40 PolarHBondContact O-N 2.95Å; G38-D64 VanDerWaalsContact CA-OD2 3.3Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å |
| 39 | T | 81.4 | Confident | 80.5 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | trans | -71.7 | 119.2 | 179.1 | -51.8 | 0 | 0 | 0 | 0 | 109.8 | E60 | T39-E60 WeakPolarHBondContact CB-OE2 3.49Å; T39-E60 PolarHBondContact O-N 3.4Å | ||
| 40 | I | 83.9 | Confident | 79.4 | Confident | 31 Ų | 31 | 84.6 Ų | 84.6 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124.8 | 177.8 | -59.7 | 168 | 0 | 0 | 0 | 108.9 | E31 F34 G38 I43 I57 F59 | E31-I40 HydrophobicContact CG-CD1 4.11Å; F34-I40 HydrophobicContact CB-CD1 3.87Å; G38-I40 PolarHBondContact O-N 2.95Å; I40-I43 HydrophobicContact CD1-CD1 4.26Å; I40-I43 HydrophobicContact CG2-CD1 3.92Å; I40-I43 HydrophobicContact CG2-CG1 3.46Å; I40-I43 VanDerWaalsContact CG2-CG1 3.46Å; I40-I57 HydrophobicContact CB-CG2 4.38Å; I40-I57 HydrophobicContact CD1-CG2 4.19Å; I40-I57 HydrophobicContact CG1-CG2 3.96Å; I40-I57 HydrophobicContact CG2-CG2 3.6Å; I40-F59 HydrophobicContact CG1-CD1 4.09Å; I40-F59 HydrophobicContact CG1-CE1 3.74Å; I40-F59 HydrophobicContact CG1-CZ 4.46Å |
| 41 | R | 83.7 | Confident | 78.6 | Confident | 177 Ų | 177 | 85.9 Ų | 85.9 | 67% | 0.668 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -44.8 | 177.1 | -168.6 | -173.5 | -176.2 | 99.3 | 4.5 | 111.7 | E58 | R41-E58 WeakPolarHBondContact CA-O 3.37Å; R41-E58 HydrophobicContact CB-CB 4.47Å; R41-E58 HydrophobicContact CB-CG 4.37Å; R41-E58 WeakPolarHBondContact CB-O 3.5Å; R41-E58 PolarHBondContact N-O 2.81Å; R41-E58 IonicContact NE-OE1 2.84Å |
| 42 | D | 80.4 | Confident | 78.1 | Confident | 88 Ų | 88 | 85.5 Ų | 85.5 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 150.7 | -178.9 | -167.3 | 25.4 | 0 | 0 | 0 | 112.2 | E58 | D42-E58 HydrophobicContact CB-CB 4.31Å; D42-E58 PolarHBondContact N-O 3.3Å; D42-E58 PolarHBondContact O-N 3.25Å |
| 43 | I | 85.1 | Confident | 78 | Confident | 25 Ų | 25 | 80.2 Ų | 80.2 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 113.8 | 177.6 | -53.4 | 174.6 | 0 | 0 | 0 | 109.8 | T27 V30 E31 I40 F56 I57 | T27-I43 HydrophobicContact CG2-CB 3.71Å; T27-I43 HydrophobicContact CG2-CD1 4.08Å; T27-I43 HydrophobicContact CG2-CG1 4.46Å; T27-I43 HydrophobicContact CG2-CG2 3.71Å; V30-I43 HydrophobicContact CB-CG2 4.47Å; V30-I43 HydrophobicContact CG1-CG2 4.09Å; E31-I43 HydrophobicContact CB-CD1 3.66Å; E31-I43 HydrophobicContact CG-CD1 4.07Å; I40-I43 HydrophobicContact CD1-CD1 4.26Å; I40-I43 HydrophobicContact CG2-CD1 3.92Å; I40-I43 HydrophobicContact CG2-CG1 3.46Å; I40-I43 VanDerWaalsContact CG2-CG1 3.46Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.32Å; I43-I57 HydrophobicContact CG1-CG2 4.43Å; I43-I57 HydrophobicContact CG2-CG1 4.43Å |
| 44 | D | 84.7 | Confident | 78.2 | Confident | 45 Ų | 45 | 81.6 Ų | 81.6 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 92.4 | 176.5 | -176.5 | 12.5 | 0 | 0 | 0 | 110.2 | R15 A55 F56 | R15-D44 IonicContact NH2-OD2 3.4Å; R15-D44 PolarHBondContact NH2-OD2 2.82Å; D44-A55 CarbonylContact O-C 3.45Å; D44-A55 VanDerWaalsContact O-CA 3.31Å; D44-A55 WeakPolarHBondContact O-CA 3.49Å; D44-F56 HydrophobicContact CB-CB 4.34Å; D44-F56 PolarHBondContact N-O 3.41Å; D44-F56 PolarHBondContact O-N 2.97Å |
| 45 | L | 85.3 | Confident | 78.4 | Confident | 51 Ų | 51 | 81.6 Ų | 81.6 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 120.3 | 176.3 | -172.3 | 143.5 | 0 | 0 | 0 | 110.8 | I25 V30 A55 | I25-L45 HydrophobicContact CG2-CD1 3.98Å; V30-L45 HydrophobicContact CG2-CD1 4.24Å; L45-A55 HydrophobicContact CB-CB 4.43Å |
| 46 | K | 80.3 | Confident | 78.6 | Confident | 108 Ų | 108 | 75.9 Ų | 75.9 | 47% | 0.47 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.3 | -177 | -169.8 | 64 | 174.8 | -178.9 | 0 | 111.8 | F54 | K46-F54 CarbonylContact C-O 3.41Å; K46-F54 WeakPolarHBondContact CA-O 3.42Å; K46-F54 HydrophobicContact CB-CD2 3.75Å; K46-F54 HydrophobicContact CB-CE1 4.21Å; K46-F54 HydrophobicContact CB-CE2 3.36Å; K46-F54 HydrophobicContact CB-CG 4.35Å; K46-F54 HydrophobicContact CB-CZ 3.62Å; K46-F54 HydrophobicContact CG-CD2 4.33Å; K46-F54 HydrophobicContact CG-CE1 3.93Å; K46-F54 HydrophobicContact CG-CE2 3.48Å; K46-F54 VanDerWaalsContact CG-CE2 3.48Å; K46-F54 HydrophobicContact CG-CZ 3.24Å; K46-F54 PolarHBondContact N-O 2.98Å; K46-F54 WeakPolarHBondContact O-CD1 3.31Å; K46-F54 PolarHBondContact O-N 3.46Å; K46-F54 VanDerWaalsContact O-N 3.08Å |
| 47 | N | 76.3 | Confident | 79 | Confident | 106 Ų | 106 | 70 Ų | 70 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | trans | -89.9 | 118.4 | 170.5 | -167.8 | -2.6 | 0 | 0 | 0 | 110.3 | ||||
| 48 | R | 67.4 | Low | 79.2 | Confident | 162 Ų | 162 | 69.2 Ų | 69.2 | 61% | 0.611 | 35% | 0.353 | S | S | * | . | trans | -98 | 124.3 | 175.2 | -177.6 | 177.2 | -175.7 | -100.9 | 0.8 | 109 | G50 G51 F54 | R48-G50 PolarHBondContact O-N 3.28Å; R48-G51 PolarHBondContact O-N 2.85Å; R48-G51 VanDerWaalsContact O-N 3.1Å; R48-F54 HydrophobicContact CB-CE1 4.08Å | ||
| 49 | R | 58 | Low | 79.4 | Confident | 248 Ų | 248 | 68.7 Ų | 68.7 | 94% | 0.936 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 111 | 172.5 | -64.6 | -170.8 | -170.2 | -143 | 2.7 | 109.2 | ||
| 50 | G | 62.4 | Low | 79.3 | Confident | 83 Ų | 83 | 70.7 Ų | 70.7 | 86% | 0.856 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.5 | 16.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.3 | R48 | R48-G50 PolarHBondContact O-N 3.28Š|
| 51 | G | 68.3 | Low | 78.9 | Confident | 29 Ų | 29 | 72 Ų | 72 | 30% | 0.299 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -147.7 | 165.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R48 | R48-G51 PolarHBondContact O-N 2.85Å; R48-G51 VanDerWaalsContact O-N 3.1Å |
| 52 | P | 74.1 | Confident | 78.3 | Confident | 81 Ų | 81 | 66.5 Ų | 66.5 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | trans | -59.7 | 139.4 | 177.4 | 22.5 | -30.9 | 0 | 0 | 0 | 110.5 | ||||
| 53 | P | 81.9 | Confident | 78.1 | Confident | 11 Ų | 11 | 71.3 Ų | 71.3 | 7% | 0.071 | 36% | 0.357 | C | S | . | . | trans | -53.8 | 146.9 | 173 | -18 | 23.3 | 0 | 0 | 0 | 111.9 | L21 I25 | L21-P53 HydrophobicContact CB-CB 4.31Å; L21-P53 PolarHBondContact N-O 3.12Å; L21-P53 VanDerWaalsContact O-CD 3.27Å; L21-P53 WeakPolarHBondContact O-CD 3.24Å; I25-P53 HydrophobicContact CG2-CB 4.34Å | ||
| 54 | F | 85.4 | Confident | 77.8 | Confident | 44 Ų | 44 | 72 Ų | 72 | 19% | 0.193 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 152.8 | 172.6 | 58.3 | -85.9 | 0 | 0 | 0 | 110.6 | Y17 V18 K46 R48 F56 | Y17-F54 HydrophobicContact CD2-CB 4.49Å; Y17-F54 HydrophobicContact CD2-CD2 4.44Å; Y17-F54 HydrophobicContact CE2-CB 3.56Å; Y17-F54 AromaticContact CE2-CD2 3.8Å; Y17-F54 HydrophobicContact CE2-CD2 3.8Å; Y17-F54 AromaticContact CE2-CG 3.88Å; Y17-F54 HydrophobicContact CE2-CG 3.88Å; V18-F54 CarbonylContact O-C 3.46Å; V18-F54 WeakPolarHBondContact O-CA 3.44Å; V18-F54 WeakPolarHBondContact O-CB 3.37Å; K46-F54 CarbonylContact C-O 3.41Å; K46-F54 WeakPolarHBondContact CA-O 3.42Å; K46-F54 HydrophobicContact CB-CD2 3.75Å; K46-F54 HydrophobicContact CB-CE1 4.21Å; K46-F54 HydrophobicContact CB-CE2 3.36Å; K46-F54 HydrophobicContact CB-CG 4.35Å; K46-F54 HydrophobicContact CB-CZ 3.62Å; K46-F54 HydrophobicContact CG-CD2 4.33Å; K46-F54 HydrophobicContact CG-CE1 3.93Å; K46-F54 HydrophobicContact CG-CE2 3.48Å; K46-F54 VanDerWaalsContact CG-CE2 3.48Å; K46-F54 HydrophobicContact CG-CZ 3.24Å; K46-F54 PolarHBondContact N-O 2.98Å; K46-F54 WeakPolarHBondContact O-CD1 3.31Å; K46-F54 PolarHBondContact O-N 3.46Å; K46-F54 VanDerWaalsContact O-N 3.08Å; R48-F54 HydrophobicContact CB-CE1 4.08Å; F54-F56 HydrophobicContact CD2-CD2 4.44Å; F54-F56 AromaticContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 AromaticContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CZ 4.25Å |
| 55 | A | 86.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 153.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | V18 L21 V30 D44 L45 | V18-A55 PolarHBondContact N-O 3.21Å; V18-A55 PolarHBondContact O-N 3.4Å; L21-A55 HydrophobicContact CD1-CB 3.63Å; V30-A55 HydrophobicContact CG1-CB 4.4Å; V30-A55 HydrophobicContact CG2-CB 4.46Å; D44-A55 CarbonylContact O-C 3.45Å; D44-A55 VanDerWaalsContact O-CA 3.31Å; D44-A55 WeakPolarHBondContact O-CA 3.49Å; L45-A55 HydrophobicContact CB-CB 4.43Å |
| 56 | F | 87.4 | Confident | 76.9 | Confident | 44 Ų | 44 | 70.2 Ų | 70.2 | 19% | 0.193 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 132.3 | 163.1 | -60.9 | -87.1 | 0 | 0 | 0 | 108.9 | R15 I16 Y17 I43 D44 F54 P87 | R15-F56 HydrophobicContact CG-CB 4.42Å; R15-F56 VanDerWaalsContact NE-CB 3.29Å; R15-F56 VanDerWaalsContact NH2-CB 3.26Å; I16-F56 CarbonylContact O-C 3.55Å; I16-F56 VanDerWaalsContact O-CA 3.24Å; I16-F56 WeakPolarHBondContact O-CA 3.4Å; Y17-F56 HydrophobicContact CD2-CD1 4.02Å; Y17-F56 AromaticContact CD2-CE1 3.5Å; Y17-F56 HydrophobicContact CD2-CE1 3.5Å; Y17-F56 AromaticContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CE2-CE1 4.48Å; Y17-F56 HydrophobicContact CE2-CZ 4.41Å; Y17-F56 HydrophobicContact CG-CE1 4.19Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.32Å; D44-F56 HydrophobicContact CB-CB 4.34Å; D44-F56 PolarHBondContact N-O 3.41Å; D44-F56 PolarHBondContact O-N 2.97Å; F54-F56 HydrophobicContact CD2-CD2 4.44Å; F54-F56 AromaticContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 AromaticContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CZ 4.25Å; F56-P87 HydrophobicContact CD1-CB 4.04Å; F56-P87 HydrophobicContact CE1-CB 3.86Å |
| 57 | I | 87.3 | Confident | 76.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.5 | 179.3 | -53.3 | 172.5 | 0 | 0 | 0 | 106.5 | R15 I16 V18 V30 F34 I40 I43 F59 | R15-I57 CarbonylContact C-O 3.57Å; R15-I57 VanDerWaalsContact CA-O 3.29Å; R15-I57 WeakPolarHBondContact CA-O 3.07Å; R15-I57 WeakPolarHBondContact CG-O 3.49Å; I16-I57 HydrophobicContact CD1-CB 4.19Å; I16-I57 HydrophobicContact CD1-CD1 4.05Å; I16-I57 HydrophobicContact CG1-CB 3.69Å; I16-I57 HydrophobicContact CG1-CD1 4.4Å; I16-I57 HydrophobicContact CG1-CG1 4.37Å; I16-I57 PolarHBondContact N-O 2.75Å; I16-I57 PolarHBondContact O-N 3.45Å; V18-I57 HydrophobicContact CG2-CD1 3.72Å; V18-I57 HydrophobicContact CG2-CG1 4.22Å; V30-I57 HydrophobicContact CG1-CD1 3.3Å; V30-I57 HydrophobicContact CG1-CG1 3.77Å; F34-I57 HydrophobicContact CB-CD1 3.96Å; F34-I57 HydrophobicContact CD1-CD1 4Å; F34-I57 HydrophobicContact CD2-CD1 3.28Å; F34-I57 HydrophobicContact CE1-CD1 4.32Å; F34-I57 HydrophobicContact CE2-CD1 3.67Å; F34-I57 HydrophobicContact CG-CD1 3.46Å; F34-I57 VanDerWaalsContact CG-CD1 3.46Å; F34-I57 HydrophobicContact CZ-CD1 4.17Å; I40-I57 HydrophobicContact CB-CG2 4.38Å; I40-I57 HydrophobicContact CD1-CG2 4.19Å; I40-I57 HydrophobicContact CG1-CG2 3.96Å; I40-I57 HydrophobicContact CG2-CG2 3.6Å; I43-I57 HydrophobicContact CG1-CG2 4.43Å; I43-I57 HydrophobicContact CG2-CG1 4.43Å; I57-F59 HydrophobicContact CB-CE2 4.47Å; I57-F59 HydrophobicContact CG2-CD2 4.3Å; I57-F59 HydrophobicContact CG2-CE2 3.95Å; I57-F59 HydrophobicContact CG2-CZ 4.05Å |
| 58 | E | 84.5 | Confident | 76.9 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 12% | 0.121 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.9 | 171.6 | -171.2 | 173.3 | 160.3 | 0 | 0 | 108 | R15 R41 D42 | R15-E58 HydrophobicContact CG-CB 4.39Å; R41-E58 WeakPolarHBondContact CA-O 3.37Å; R41-E58 HydrophobicContact CB-CB 4.47Å; R41-E58 HydrophobicContact CB-CG 4.37Å; R41-E58 WeakPolarHBondContact CB-O 3.5Å; R41-E58 PolarHBondContact N-O 2.81Å; R41-E58 IonicContact NE-OE1 2.84Å; D42-E58 HydrophobicContact CB-CB 4.31Å; D42-E58 PolarHBondContact N-O 3.3Å; D42-E58 PolarHBondContact O-N 3.25Å |
| 59 | F | 82.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 162.2 | 173.4 | -71.4 | -83.9 | 0 | 0 | 0 | 111.2 | C14 I16 F34 I40 I57 D64 A65 A68 | C14-F59 WeakPolarHBondContact CB-O 3.28Å; C14-F59 PolarHBondContact O-N 2.75Å; I16-F59 HydrophobicContact CD1-CE2 3.51Å; I16-F59 HydrophobicContact CD1-CZ 4.17Å; I16-F59 HydrophobicContact CG1-CD2 4.31Å; I16-F59 HydrophobicContact CG1-CE2 3.71Å; I16-F59 HydrophobicContact CG2-CD2 4.33Å; I16-F59 HydrophobicContact CG2-CE2 4.19Å; F34-F59 HydrophobicContact CB-CZ 4.11Å; F34-F59 HydrophobicContact CD1-CZ 4.14Å; I40-F59 HydrophobicContact CG1-CD1 4.09Å; I40-F59 HydrophobicContact CG1-CE1 3.74Å; I40-F59 HydrophobicContact CG1-CZ 4.46Å; I57-F59 HydrophobicContact CB-CE2 4.47Å; I57-F59 HydrophobicContact CG2-CD2 4.3Å; I57-F59 HydrophobicContact CG2-CE2 3.95Å; I57-F59 HydrophobicContact CG2-CZ 4.05Å; F59-D64 HydrophobicContact CB-CB 4.42Å; F59-D64 HydrophobicContact CD1-CB 4.16Å; F59-D64 HydrophobicContact CG-CB 4.37Å; F59-A65 HydrophobicContact CB-CB 4.27Å; F59-A65 HydrophobicContact CD2-CB 3.7Å; F59-A65 HydrophobicContact CE2-CB 4.44Å; F59-A65 HydrophobicContact CG-CB 4.31Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.66Å |
| 60 | E | 78.6 | Confident | 78.4 | Confident | 124 Ų | 124 | 53 Ų | 53 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -70.6 | -46.1 | 170.4 | -168.8 | 172.6 | -173 | 0 | 0 | 111.5 | T39 | T39-E60 WeakPolarHBondContact CB-OE2 3.49Å; T39-E60 PolarHBondContact O-N 3.4Å |
| 61 | D | 75.1 | Confident | 78.9 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -105.4 | 133.8 | 179.3 | -161.3 | -50.1 | 0 | 0 | 0 | 111.4 | R63 D64 A65 | D61-R63 PolarHBondContact O-N 2.87Å; D61-R63 VanDerWaalsContact OD1-CB 3.22Å; D61-R63 WeakPolarHBondContact OD1-CB 3.43Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 PolarHBondContact OD1-N 2.57Å; D61-D64 HydrophobicContact CB-CB 4.33Å; D61-D64 PolarHBondContact O-N 2.91Å; D61-A65 PolarHBondContact O-N 3.46Å |
| 62 | P | 72.3 | Confident | 79.2 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.2 | -21.9 | 173.2 | 27.4 | -36.3 | 0 | 0 | 0 | 113.9 | D13 C14 A65 D66 | D13-P62 HydrophobicContact CB-CB 4.31Å; C14-P62 VanDerWaalsContact SG-CD 3.51Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-D66 PolarHBondContact O-N 3.27Å; P62-D66 VanDerWaalsContact O-N 3.14Å |
| 63 | R | 75.2 | Confident | 79.4 | Confident | 188 Ų | 188 | 50.8 Ų | 50.8 | 71% | 0.709 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -69.3 | -43.2 | 174.8 | -63.5 | 172 | 179.4 | -175.1 | 1.8 | 111 | D61 A65 D66 D67 | D61-R63 PolarHBondContact O-N 2.87Å; D61-R63 VanDerWaalsContact OD1-CB 3.22Å; D61-R63 WeakPolarHBondContact OD1-CB 3.43Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 PolarHBondContact OD1-N 2.57Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.99Å; R63-D66 WeakPolarHBondContact O-CA 3.31Å; R63-D66 WeakPolarHBondContact O-CB 3.5Å; R63-D66 PolarHBondContact O-N 2.73Å; R63-D67 PolarHBondContact O-N 3.16Å |
| 64 | D | 79.1 | Confident | 78.9 | Confident | 39 Ų | 39 | 51.9 Ų | 51.9 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 176.5 | -59.4 | -2.5 | 0 | 0 | 0 | 110.7 | Y37 G38 F59 D61 D66 D67 A68 | Y37-D64 WeakPolarHBondContact O-CB 3.47Å; G38-D64 VanDerWaalsContact CA-OD2 3.3Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å; F59-D64 HydrophobicContact CB-CB 4.42Å; F59-D64 HydrophobicContact CD1-CB 4.16Å; F59-D64 HydrophobicContact CG-CB 4.37Å; D61-D64 HydrophobicContact CB-CB 4.33Å; D61-D64 PolarHBondContact O-N 2.91Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 2.75Å; D64-D67 PolarHBondContact O-N 2.71Å; D64-A68 WeakPolarHBondContact O-CB 3.35Å; D64-A68 PolarHBondContact O-N 3.05Å |
| 65 | A | 75.9 | Confident | 78.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I16 F59 D61 P62 R63 V69 F86 | I16-A65 HydrophobicContact CG2-CB 3.76Å; I16-A65 WeakPolarHBondContact CG2-O 3.5Å; F59-A65 HydrophobicContact CB-CB 4.27Å; F59-A65 HydrophobicContact CD2-CB 3.7Å; F59-A65 HydrophobicContact CE2-CB 4.44Å; F59-A65 HydrophobicContact CG-CB 4.31Å; D61-A65 PolarHBondContact O-N 3.46Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.99Å; A65-V69 WeakPolarHBondContact O-CG2 3.04Å; A65-V69 PolarHBondContact O-N 2.8Å; A65-V69 VanDerWaalsContact O-N 3.08Å; A65-F86 HydrophobicContact CB-CE1 4.21Å |
| 66 | D | 76.1 | Confident | 78 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.9 | -49.7 | 176.4 | -160.8 | -109.1 | 0 | 0 | 0 | 111.3 | P62 R63 D64 A68 V69 Y70 F86 | P62-D66 PolarHBondContact O-N 3.27Å; P62-D66 VanDerWaalsContact O-N 3.14Å; R63-D66 WeakPolarHBondContact O-CA 3.31Å; R63-D66 WeakPolarHBondContact O-CB 3.5Å; R63-D66 PolarHBondContact O-N 2.73Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 2.75Å; D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.65Å; D66-V69 PolarHBondContact O-N 2.84Å; D66-V69 VanDerWaalsContact O-N 3.07Å; D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.4Å; D66-Y70 PolarHBondContact O-N 3.23Å; D66-Y70 VanDerWaalsContact OD1-CD2 3.28Å; D66-Y70 WeakPolarHBondContact OD1-CD2 3.3Å; D66-Y70 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y70 WeakPolarHBondContact OD2-CE2 3.32Å; D66-F86 HydrophobicContact CB-CZ 4.16Å |
| 67 | D | 76 | Confident | 77.2 | Confident | 94 Ų | 94 | 59.3 Ų | 59.3 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.8 | -36.4 | 177.1 | -75.7 | -22 | 0 | 0 | 0 | 112 | Y37 R63 D64 G71 | Y37-D67 HydrophobicContact CD1-CB 4.33Å; R63-D67 PolarHBondContact O-N 3.16Å; D64-D67 PolarHBondContact O-N 2.71Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.36Å |
| 68 | A | 79.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -42.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I16 F34 Y37 F59 D64 D66 R72 | I16-A68 HydrophobicContact CD1-CB 4.13Å; F34-A68 HydrophobicContact CD1-CB 4.01Å; F34-A68 HydrophobicContact CE1-CB 4.3Å; Y37-A68 HydrophobicContact CD1-CB 4.45Å; Y37-A68 HydrophobicContact CD2-CB 4.16Å; Y37-A68 HydrophobicContact CG-CB 3.92Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.66Å; D64-A68 WeakPolarHBondContact O-CB 3.35Å; D64-A68 PolarHBondContact O-N 3.05Å; D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.65Å; A68-R72 WeakPolarHBondContact O-CB 3.27Å; A68-R72 PolarHBondContact O-N 3.15Å |
| 69 | V | 81.1 | Confident | 75.8 | Confident | 17 Ų | 17 | 67.1 Ų | 67.1 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -50.8 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | I16 A65 D66 G71 D73 V84 F86 | I16-V69 HydrophobicContact CB-CG2 4.1Å; I16-V69 HydrophobicContact CG2-CG2 3.54Å; A65-V69 WeakPolarHBondContact O-CG2 3.04Å; A65-V69 PolarHBondContact O-N 2.8Å; A65-V69 VanDerWaalsContact O-N 3.08Å; D66-V69 PolarHBondContact O-N 2.84Å; D66-V69 VanDerWaalsContact O-N 3.07Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.31Å; V69-D73 VanDerWaalsContact O-CB 3.23Å; V69-D73 WeakPolarHBondContact O-CB 3.45Å; V69-D73 PolarHBondContact O-N 3.32Å; V69-V84 HydrophobicContact CB-CG1 4.28Å; V69-V84 HydrophobicContact CG2-CG1 3.81Å; V69-F86 HydrophobicContact CB-CE2 4.09Å; V69-F86 HydrophobicContact CB-CZ 4.44Å; V69-F86 HydrophobicContact CG1-CD2 4.33Å; V69-F86 HydrophobicContact CG1-CE2 4.08Å; V69-F86 HydrophobicContact CG2-CD2 4.1Å; V69-F86 HydrophobicContact CG2-CE1 4.34Å; V69-F86 HydrophobicContact CG2-CE2 3.82Å; V69-F86 HydrophobicContact CG2-CG 4.49Å; V69-F86 HydrophobicContact CG2-CZ 3.97Å |
| 70 | Y | 76.9 | Confident | 75.5 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 60% | 0.6 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.6 | -34.5 | -179.6 | -80.9 | -75.5 | 0 | 0 | 0 | 113 | D66 | D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.4Å; D66-Y70 PolarHBondContact O-N 3.23Å; D66-Y70 VanDerWaalsContact OD1-CD2 3.28Å; D66-Y70 WeakPolarHBondContact OD1-CD2 3.3Å; D66-Y70 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y70 WeakPolarHBondContact OD2-CE2 3.32Å |
| 71 | G | 73 | Confident | 75.6 | Confident | 39 Ų | 39 | 71.4 Ų | 71.4 | 40% | 0.402 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -87.2 | -21.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y37 D67 V69 | Y37-G71 PolarHBondContact OH-O 3.18Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.36Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.31Å |
| 72 | R | 73.4 | Confident | 76.1 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -120.3 | -7.6 | -178.4 | -76.8 | -46.1 | -162.5 | -171.5 | 16.2 | 116.8 | V33 F34 Y37 A68 G74 Y75 V84 | V33-R72 HydrophobicContact CG1-CG 4.48Å; F34-R72 HydrophobicContact CE1-CB 3.93Å; F34-R72 HydrophobicContact CE1-CG 4.11Å; F34-R72 HydrophobicContact CZ-CB 4.15Å; F34-R72 HydrophobicContact CZ-CG 4.42Å; Y37-R72 HydrophobicContact CD2-CG 4.5Å; Y37-R72 HydrophobicContact CE2-CG 3.41Å; Y37-R72 VanDerWaalsContact CE2-CG 3.41Å; Y37-R72 WeakPolarHBondContact OH-CD 3.29Å; Y37-R72 WeakPolarHBondContact OH-CG 3.14Å; Y37-R72 PolarHBondContact OH-NE 3Å; A68-R72 WeakPolarHBondContact O-CB 3.27Å; A68-R72 PolarHBondContact O-N 3.15Å; R72-G74 PolarHBondContact O-N 3.26Å; R72-Y75 VanDerWaalsContact CZ-CD1 3.43Å; R72-Y75 VanDerWaalsContact CZ-CZ 3.42Å; R72-Y75 VanDerWaalsContact NH1-CZ 3.33Å; R72-Y75 PolarHBondContact NH2-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.49Å; R72-Y75 VanDerWaalsContact O-N 3.09Å; R72-V84 HydrophobicContact CB-CG2 3.87Å |
| 73 | D | 79.7 | Confident | 76.5 | Confident | 75 Ų | 75 | 71.7 Ų | 71.7 | 40% | 0.401 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 124.7 | 170.2 | -170.2 | 53.7 | 0 | 0 | 0 | 110.7 | V69 V84 | V69-D73 VanDerWaalsContact O-CB 3.23Å; V69-D73 WeakPolarHBondContact O-CB 3.45Å; V69-D73 PolarHBondContact O-N 3.32Å; D73-V84 HydrophobicContact CB-CB 4.27Å; D73-V84 PolarHBondContact OD1-N 2.95Å |
| 74 | G | 70.7 | Confident | 77 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 35% | 0.351 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 7.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R72 D76 L82 | R72-G74 PolarHBondContact O-N 3.26Å; G74-D76 PolarHBondContact O-N 2.89Å; G74-L82 WeakPolarHBondContact CA-O 3.44Å; G74-L82 PolarHBondContact N-O 3.18Å |
| 75 | Y | 76.9 | Confident | 77.1 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 35% | 0.345 | 32% | 0.322 | S | S | . | . | trans | -66.6 | 128.4 | 176.7 | -179.6 | -120 | 0 | 0 | 0 | 111.4 | R72 Y77 R81 L82 | R72-Y75 VanDerWaalsContact CZ-CD1 3.43Å; R72-Y75 VanDerWaalsContact CZ-CZ 3.42Å; R72-Y75 VanDerWaalsContact NH1-CZ 3.33Å; R72-Y75 PolarHBondContact NH2-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.49Å; R72-Y75 VanDerWaalsContact O-N 3.09Å; Y75-Y77 AromaticContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CG 4.49Å; Y75-Y77 PolarHBondContact O-N 2.99Å; Y75-R81 WeakPolarHBondContact O-CA 3.36Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 PolarHBondContact O-N 3.02Å | ||
| 76 | D | 75.6 | Confident | 77.4 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 112 | 173.2 | -161.7 | -96.5 | 0 | 0 | 0 | 109.4 | G74 G79 | G74-D76 PolarHBondContact O-N 2.89Å; D76-G79 WeakPolarHBondContact OD1-CA 3.4Å; D76-G79 PolarHBondContact OD1-N 2.91Å |
| 77 | Y | 71.8 | Confident | 77.1 | Confident | 67 Ų | 67 | 64 Ų | 64 | 26% | 0.263 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 111.9 | 173.9 | -173.2 | -98.5 | 0 | 0 | 0 | 108.5 | P22 I25 V33 Y75 G79 Y80 | P22-Y77 HydrophobicContact CG-CD1 3.99Å; P22-Y77 HydrophobicContact CG-CE1 4.3Å; I25-Y77 HydrophobicContact CD1-CD1 4.21Å; I25-Y77 HydrophobicContact CD1-CE1 3.74Å; V33-Y77 HydrophobicContact CG2-CD2 4.15Å; V33-Y77 HydrophobicContact CG2-CE2 3.83Å; Y75-Y77 AromaticContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CG 4.49Å; Y75-Y77 PolarHBondContact O-N 2.99Å; Y77-G79 PolarHBondContact O-N 3.38Å; Y77-Y80 PolarHBondContact N-O 2.97Å; Y77-Y80 WeakPolarHBondContact O-CB 3.42Å; Y77-Y80 PolarHBondContact O-N 3.49Å |
| 78 | D | 68.6 | Low | 76.4 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 33.8 | 179.1 | -154.7 | 39.5 | 0 | 0 | 0 | 113.5 | Y80 | D78-Y80 VanDerWaalsContact C-N 3.27Å; D78-Y80 VanDerWaalsContact O-CD2 3.26Å; D78-Y80 WeakPolarHBondContact O-CD2 3.28Å; D78-Y80 PolarHBondContact O-N 3.1Å |
| 79 | G | 73.9 | Confident | 74.8 | Confident | 58 Ų | 58 | 72.8 Ų | 72.8 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 4.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D76 Y77 | D76-G79 WeakPolarHBondContact OD1-CA 3.4Å; D76-G79 PolarHBondContact OD1-N 2.91Å; Y77-G79 PolarHBondContact O-N 3.38Å |
| 80 | Y | 76.9 | Confident | 73.3 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 118.5 | 173.5 | -63.5 | -93.3 | 0 | 0 | 0 | 110.2 | P22 Y77 D78 L82 | P22-Y80 HydrophobicContact CB-CD2 3.64Å; P22-Y80 HydrophobicContact CB-CE2 3.76Å; P22-Y80 HydrophobicContact CB-CG 4.13Å; P22-Y80 HydrophobicContact CG-CD2 4.17Å; Y77-Y80 PolarHBondContact N-O 2.97Å; Y77-Y80 WeakPolarHBondContact O-CB 3.42Å; Y77-Y80 PolarHBondContact O-N 3.49Å; D78-Y80 VanDerWaalsContact C-N 3.27Å; D78-Y80 VanDerWaalsContact O-CD2 3.26Å; D78-Y80 WeakPolarHBondContact O-CD2 3.28Å; D78-Y80 PolarHBondContact O-N 3.1Å; Y80-L82 PolarHBondContact O-N 2.71Å; Y80-L82 VanDerWaalsContact O-N 3.14Å |
| 81 | R | 79.8 | Confident | 71.7 | Confident | 125 Ų | 125 | 79.7 Ų | 79.7 | 47% | 0.472 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 104.9 | 173.2 | -61.1 | -175.7 | 95.9 | -165.9 | 6 | 109.7 | N20 Y75 D142 | N20-R81 WeakPolarHBondContact CB-O 3.1Å; N20-R81 PolarHBondContact ND2-O 3.26Å; Y75-R81 WeakPolarHBondContact O-CA 3.36Å; R81-D142 IonicContact CZ-OD1 2.87Å; R81-D142 IonicContact CZ-OD2 3.07Å; R81-D142 VanDerWaalsContact CZ-OD2 3.29Å; R81-D142 IonicContact NH1-OD1 3.49Å; R81-D142 PolarHBondContact NH1-OD1 3.43Å; R81-D142 IonicContact NH1-OD2 3.9Å; R81-D142 PolarHBondContact NH1-OD2 2.89Å; R81-D142 IonicContact NH2-OD1 3.59Å; R81-D142 IonicContact NH2-OD2 3.84Å; R81-D142 PolarHBondContact NH2-OD2 2.97Å |
| 82 | L | 85 | Confident | 70.2 | Confident | 4 Ų | 4 | 81.1 Ų | 81.1 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | trans | -64.6 | 136.7 | 177.7 | -56.4 | -170.9 | 0 | 0 | 0 | 109.9 | L21 V33 G74 Y75 Y80 | L21-L82 HydrophobicContact CD2-CD1 4.44Å; L21-L82 HydrophobicContact CD2-CD2 3.6Å; L21-L82 HydrophobicContact CG-CD2 4.4Å; V33-L82 HydrophobicContact CG1-CD1 4.43Å; G74-L82 WeakPolarHBondContact CA-O 3.44Å; G74-L82 PolarHBondContact N-O 3.18Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 PolarHBondContact O-N 3.02Å; Y80-L82 PolarHBondContact O-N 2.71Å; Y80-L82 VanDerWaalsContact O-N 3.14Å | ||
| 83 | R | 81.2 | Confident | 68.9 | Low | 121 Ų | 121 | 85.5 Ų | 85.5 | 46% | 0.457 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.5 | 174.2 | 178.3 | 177.6 | 170.6 | -161.5 | -2.2 | 109 | V18 G19 E85 | V18-R83 CarbonylContact C-O 3.48Å; V18-R83 VanDerWaalsContact CA-O 3.28Å; V18-R83 WeakPolarHBondContact CA-O 3.13Å; G19-R83 PolarHBondContact N-O 2.83Å; G19-R83 PolarHBondContact O-N 3.47Å; R83-E85 IonicContact CZ-OE2 2.67Å; R83-E85 IonicContact NE-OE2 2.8Å; R83-E85 IonicContact NH2-OE2 3.37Å; R83-E85 PolarHBondContact NH2-OE2 3.35Å |
| 84 | V | 86.2 | Confident | 67.3 | Low | 3 Ų | 3 | 94 Ų | 94 | 2% | 0.018 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.9 | -178.9 | -167.4 | 0 | 0 | 0 | 0 | 108.8 | I16 Y17 V18 F34 V69 R72 D73 | I16-V84 HydrophobicContact CB-CG1 4.3Å; I16-V84 HydrophobicContact CD1-CG1 3.65Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; Y17-V84 CarbonylContact O-C 3.5Å; Y17-V84 VanDerWaalsContact O-CA 3.28Å; Y17-V84 WeakPolarHBondContact O-CA 3.48Å; V18-V84 HydrophobicContact CG1-CG2 4.29Å; V18-V84 HydrophobicContact CG2-CG1 4.31Å; V18-V84 HydrophobicContact CG2-CG2 4.42Å; F34-V84 HydrophobicContact CE1-CG1 4.22Å; F34-V84 HydrophobicContact CE1-CG2 4.15Å; F34-V84 HydrophobicContact CZ-CG1 4.46Å; F34-V84 HydrophobicContact CZ-CG2 3.79Å; V69-V84 HydrophobicContact CB-CG1 4.28Å; V69-V84 HydrophobicContact CG2-CG1 3.81Å; R72-V84 HydrophobicContact CB-CG2 3.87Å; D73-V84 HydrophobicContact CB-CB 4.27Å; D73-V84 PolarHBondContact OD1-N 2.95Å |
| 85 | E | 81.8 | Confident | 65.7 | Low | 54 Ų | 54 | 96 Ų | 96 | 25% | 0.252 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 155 | -178.5 | -169.9 | -179.6 | 154.4 | 0 | 0 | 109.5 | Y17 R83 R88 | Y17-E85 WeakPolarHBondContact CA-O 3.49Å; Y17-E85 VanDerWaalsContact CB-O 3.28Å; Y17-E85 WeakPolarHBondContact CB-O 3.44Å; Y17-E85 HydrophobicContact CD1-CB 4.34Å; Y17-E85 PolarHBondContact N-O 3.28Å; Y17-E85 PolarHBondContact O-N 3.12Å; R83-E85 IonicContact CZ-OE2 2.67Å; R83-E85 IonicContact NE-OE2 2.8Å; R83-E85 IonicContact NH2-OE2 3.37Å; R83-E85 PolarHBondContact NH2-OE2 3.35Å; E85-R88 IonicContact OE1-CZ 3.59Å; E85-R88 IonicContact OE1-NE 3.94Å; E85-R88 PolarHBondContact OE1-NE 3.44Å; E85-R88 IonicContact OE1-NH2 3.99Å |
| 86 | F | 80.5 | Confident | 63.8 | Low | 46 Ų | 46 | 95 Ų | 95 | 20% | 0.202 | 52% | 0.522 | C | S | . | . | trans | -68 | 132.3 | 166.3 | -69.2 | -83.2 | 0 | 0 | 0 | 110.5 | I16 A65 D66 V69 R88 | I16-F86 HydrophobicContact CG2-CD1 4.44Å; I16-F86 HydrophobicContact CG2-CE1 4.33Å; A65-F86 HydrophobicContact CB-CE1 4.21Å; D66-F86 HydrophobicContact CB-CZ 4.16Å; V69-F86 HydrophobicContact CB-CE2 4.09Å; V69-F86 HydrophobicContact CB-CZ 4.44Å; V69-F86 HydrophobicContact CG1-CD2 4.33Å; V69-F86 HydrophobicContact CG1-CE2 4.08Å; V69-F86 HydrophobicContact CG2-CD2 4.1Å; V69-F86 HydrophobicContact CG2-CE1 4.34Å; V69-F86 HydrophobicContact CG2-CE2 3.82Å; V69-F86 HydrophobicContact CG2-CG 4.49Å; V69-F86 HydrophobicContact CG2-CZ 3.97Å; F86-R88 PolarHBondContact O-N 3.12Å | ||
| 87 | P | 70 | Confident | 62.1 | Low | 21 Ų | 21 | 102.5 Ų | 102.5 | 14% | 0.136 | 55% | 0.546 | C | S | . | . | trans | -61 | 132.6 | 177.9 | 25.6 | -29.5 | 0 | 0 | 0 | 109.3 | R15 F56 S89 | R15-P87 HydrophobicContact CB-CG 3.85Å; R15-P87 HydrophobicContact CG-CG 3.97Å; R15-P87 WeakPolarHBondContact O-CD 3.14Å; R15-P87 WeakPolarHBondContact O-CG 3.24Å; F56-P87 HydrophobicContact CD1-CB 4.04Å; F56-P87 HydrophobicContact CE1-CB 3.86Å; P87-S89 PolarHBondContact O-N 3.01Å | ||
| 88 | R | 61 | Low | 60.4 | Low | 211 Ų | 211 | 103.3 Ų | 103.3 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | trans | -73 | 69.2 | 178.4 | -64.4 | -177.1 | -176.2 | -174.7 | -1.5 | 111 | E85 F86 | E85-R88 IonicContact OE1-CZ 3.59Å; E85-R88 IonicContact OE1-NE 3.94Å; E85-R88 PolarHBondContact OE1-NE 3.44Å; E85-R88 IonicContact OE1-NH2 3.99Å; F86-R88 PolarHBondContact O-N 3.12Å | ||
| 89 | S | 47.6 | Very low | 58.8 | Low | 68 Ų | 68 | 100.9 Ų | 100.9 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | trans | -100.7 | 115.1 | 164.7 | -92.6 | 0 | 0 | 0 | 0 | 108.8 | N12 P87 R91 | N12-S89 WeakPolarHBondContact OD1-CB 3.5Å; P87-S89 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact O-N 2.98Å | ||
| 90 | G | 49.3 | Very low | 57.4 | Low | 81 Ų | 81 | 106.8 Ų | 106.8 | 84% | 0.835 | 60% | 0.596 | S | S | * | * | trans | -66 | 116.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 91 | R | 43.3 | Very low | 55.3 | Low | 235 Ų | 235 | 105.9 Ų | 105.9 | 89% | 0.887 | 61% | 0.614 | S | S | * | * | trans | -161.4 | 126.2 | 141 | -122.6 | -177.2 | -170.9 | -171.4 | 3.5 | 108.9 | S89 | S89-R91 PolarHBondContact O-N 2.98Š| ||
| 92 | G | 41.8 | Very low | 53.6 | Low | 68 Ų | 68 | 103.8 Ų | 103.8 | 70% | 0.701 | 63% | 0.632 | S | S | * | * | trans | -77.2 | 169.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 93 | S | 45.2 | Very low | 51.5 | Low | 124 Ų | 124 | 108.1 Ų | 108.1 | 87% | 0.867 | 67% | 0.669 | S | S | * | * | trans | 88.3 | 117.8 | 171.6 | -55.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 94 | R | 45.2 | Very low | 50 | Low | 253 Ų | 253 | 108 Ų | 108 | 96% | 0.955 | 68% | 0.684 | S | S | * | * | S | Bend | -171 | 132.4 | 50.9 | -166.8 | 177.4 | -170.3 | 178.8 | 0.5 | 108.2 | |||
| 95 | G | 37.6 | Very low | 48.2 | Very low | 77 Ų | 77 | 120.1 Ų | 120.1 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -164.2 | 175.4 | 11.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 96 | G | 37.3 | Very low | 46.1 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | cis | -157.6 | 167.4 | 17.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 97 | Y | 40.3 | Very low | 44.5 | Very low | 245 Ų | 245 | 131 Ų | 131 | 96% | 0.961 | 79% | 0.789 | S | S | * | * | trans | 55.8 | 98.9 | 161.8 | -77.5 | -92.4 | 0 | 0 | 0 | 119.5 | ||||
| 98 | G | 35.5 | Very low | 43.2 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 139.1 | 118.2 | 133.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 99 | G | 36.3 | Very low | 42.3 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 114 | 103.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 100 | I | 43 | Very low | 42.3 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 94% | 0.938 | 82% | 0.817 | S | S | * | * | trans | -55.2 | 139.1 | 165.1 | -69.2 | 164.7 | 0 | 0 | 0 | 112.4 | ||||
| 101 | G | 32.8 | Very low | 42 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | 153.1 | 95.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 102 | G | 44.1 | Very low | 42.2 | Very low | 82 Ų | 82 | 129.4 Ų | 129.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -78.6 | 141.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 103 | A | 41 | Very low | 42.6 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 178.3 | 171.3 | 138 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 104 | P | 50 | Low | 42.9 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -120.3 | 170.2 | -94.5 | 29.6 | -9 | 0 | 0 | 0 | 113.5 | |||||
| 105 | R | 48.6 | Very low | 43.3 | Very low | 257 Ų | 257 | 127.4 Ų | 127.4 | 97% | 0.97 | 76% | 0.764 | S | S | * | * | trans | 31.3 | 106.8 | 158.5 | -85.4 | -175.7 | 168.4 | 175.4 | -3 | 117.8 | ||||
| 106 | G | 37.2 | Very low | 44.6 | Very low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | -163 | 96.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y108 | G106-Y108 VanDerWaalsContact C-N 3.26Å; G106-Y108 PolarHBondContact O-N 2.79Å | ||
| 107 | R | 48.2 | Very low | 46.7 | Very low | 255 Ų | 255 | 133 Ų | 133 | 96% | 0.962 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -78.5 | 47.4 | -171.1 | -166.2 | -175 | -169.8 | -129.3 | 2.2 | 113.4 | ||
| 108 | Y | 42 | Very low | 48.8 | Very low | 223 Ų | 223 | 123.9 Ų | 123.9 | 88% | 0.875 | 71% | 0.712 | S | S | * | * | trans | -175.4 | 86.5 | 169.2 | -140.5 | -107.2 | 0 | 0 | 0 | 108.6 | G106 | G106-Y108 VanDerWaalsContact C-N 3.26Å; G106-Y108 PolarHBondContact O-N 2.79Å | ||
| 109 | G | 42.3 | Very low | 51.3 | Low | 61 Ų | 61 | 119.9 Ų | 119.9 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | -129.8 | 129.2 | 175 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 110 | P | 46.7 | Very low | 53.9 | Low | 76 Ų | 76 | 117.9 Ų | 117.9 | 49% | 0.494 | 64% | 0.643 | S | S | . | * | trans | -58.4 | 144.2 | 178.7 | 24.1 | -31.4 | 0 | 0 | 0 | 109.9 | S112 Y145 | P110-S112 PolarHBondContact O-N 2.92Å; P110-Y145 HydrophobicContact CB-CD2 3.64Å; P110-Y145 HydrophobicContact CB-CE2 3.69Å; P110-Y145 HydrophobicContact CG-CD2 4.26Å; P110-Y145 HydrophobicContact CG-CE2 3.79Å | ||
| 111 | P | 43.2 | Very low | 56.1 | Low | 97 Ų | 97 | 109.2 Ų | 109.2 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | trans | -56.1 | 135 | -174.5 | 21.3 | -30.5 | 0 | 0 | 0 | 110.8 | R113 | P111-R113 PolarHBondContact O-N 2.87Š| ||
| 112 | S | 47.6 | Very low | 58.8 | Low | 125 Ų | 125 | 107.6 Ų | 107.6 | 87% | 0.874 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -70.7 | 12.8 | -172.9 | -48.8 | 0 | 0 | 0 | 0 | 115.3 | P110 | P110-S112 PolarHBondContact O-N 2.92Š|
| 113 | R | 50.6 | Low | 60.8 | Low | 174 Ų | 174 | 105.6 Ų | 105.6 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | trans | -100.1 | 82.8 | 164.5 | -66.7 | -170.6 | -175.5 | -129.8 | 5 | 106.6 | P111 S115 | P111-R113 PolarHBondContact O-N 2.87Å; R113-S115 PolarHBondContact O-N 2.8Å | ||
| 114 | R | 52.2 | Low | 63 | Low | 196 Ų | 196 | 101.7 Ų | 101.7 | 74% | 0.74 | 52% | 0.521 | S | S | * | . | trans | -60 | 104.6 | 167 | -69.7 | -164 | 177.8 | -162.5 | -3.3 | 106.5 | E116 | R114-E116 PolarHBondContact O-N 3.26Š| ||
| 115 | S | 53.4 | Low | 64.6 | Low | 34 Ų | 34 | 96.7 Ų | 96.7 | 24% | 0.238 | 49% | 0.489 | C | S | . | . | trans | -58.8 | 126.7 | 162.8 | -66.5 | 0 | 0 | 0 | 0 | 106.2 | R113 Y117 F158 | R113-S115 PolarHBondContact O-N 2.8Å; S115-Y117 PolarHBondContact O-N 2.76Å; S115-F158 WeakPolarHBondContact CB-O 3.23Å | ||
| 116 | E | 64.8 | Low | 66.1 | Low | 178 Ų | 178 | 93.5 Ų | 93.5 | 83% | 0.832 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -67.5 | -0.3 | 179.6 | -61.6 | -179.2 | 102.5 | 0 | 0 | 112.3 | R114 R118 | R114-E116 PolarHBondContact O-N 3.26Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.67Å; E116-R118 VanDerWaalsContact O-N 3.12Å |
| 117 | Y | 82 | Confident | 68.3 | Low | 84 Ų | 84 | 90.7 Ų | 90.7 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | trans | -87.9 | 64.2 | -177.4 | -44.3 | -49.4 | 0 | 0 | 0 | 111.8 | S115 F158 V159 K161 M164 | S115-Y117 PolarHBondContact O-N 2.76Å; Y117-F158 PolarHBondContact O-N 3.11Å; Y117-V159 WeakPolarHBondContact CD2-O 2.98Å; Y117-K161 HydrophobicContact CD1-CB 3.62Å; Y117-K161 HydrophobicContact CD1-CG 3.88Å; Y117-K161 HydrophobicContact CE1-CB 3.52Å; Y117-K161 HydrophobicContact CE1-CD 4.18Å; Y117-K161 HydrophobicContact CE1-CG 3.89Å; Y117-K161 HydrophobicContact CE2-CB 4.42Å; Y117-K161 HydrophobicContact CG-CB 4.13Å; Y117-M164 WeakPolarHBondContact CA-SD 3.3Å | ||
| 118 | R | 83.8 | Confident | 69.7 | Low | 53 Ų | 53 | 79 Ų | 79 | 20% | 0.2 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.1 | -177.1 | -173.4 | 171.6 | 175.4 | -128.1 | 7 | 112 | E116 V156 E157 D191 | E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.67Å; E116-R118 VanDerWaalsContact O-N 3.12Å; R118-V156 CarbonylContact C-O 3.51Å; R118-V156 WeakPolarHBondContact CA-O 3.08Å; R118-E157 HydrophobicContact CB-CG 4Å; R118-E157 HydrophobicContact CG-CG 3.88Å; R118-D191 HydrophobicContact CB-CB 4.06Å; R118-D191 WeakPolarHBondContact CD-OD2 3.39Å; R118-D191 HydrophobicContact CG-CB 3.96Å; R118-D191 IonicContact CZ-OD2 3.85Å; R118-D191 IonicContact NE-OD2 3.29Å; R118-D191 IonicContact NH1-OD1 2.67Å; R118-D191 IonicContact NH1-OD2 3.82Å; R118-D191 PolarHBondContact NH1-OD2 2.77Å; R118-D191 WeakPolarHBondContact O-CB 3.44Å; R118-D191 PolarHBondContact O-N 2.65Å |
| 119 | V | 88.6 | Confident | 71.7 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.6 | 169.7 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | V121 M137 V155 V156 F158 M164 V168 V188 K189 | V119-V121 HydrophobicContact CG2-CG2 4.33Å; V119-M137 HydrophobicContact CG2-CE 3.52Å; V119-V155 WeakPolarHBondContact O-CA 3.49Å; V119-V156 HydrophobicContact CG2-CB 3.72Å; V119-V156 HydrophobicContact CG2-CG1 4.48Å; V119-V156 PolarHBondContact N-O 3.23Å; V119-V156 PolarHBondContact O-N 3.48Å; V119-F158 HydrophobicContact CG1-CD2 4.43Å; V119-F158 HydrophobicContact CG1-CE2 4.11Å; V119-F158 HydrophobicContact CG2-CD2 4.48Å; V119-F158 HydrophobicContact CG2-CE2 3.75Å; V119-M164 HydrophobicContact CG1-CG 3.46Å; V119-M164 VanDerWaalsContact CG1-CG 3.46Å; V119-V168 HydrophobicContact CG1-CG2 3.71Å; V119-V188 HydrophobicContact CB-CG1 3.91Å; V119-V188 HydrophobicContact CG1-CG1 4.29Å; V119-V188 HydrophobicContact CG2-CG1 3.89Å; V119-K189 CarbonylContact C-O 3.56Å; V119-K189 VanDerWaalsContact CA-O 3.31Å; V119-K189 WeakPolarHBondContact CA-O 3.24Å; V119-K189 WeakPolarHBondContact CB-O 3.15Å |
| 120 | V | 89.7 | Confident | 73.8 | Confident | 40 Ų | 40 | 72.7 Ų | 72.7 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.7 | 170.3 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | G154 V155 K189 D191 | V120-G154 CarbonylContact C-O 3.55Å; V120-G154 WeakPolarHBondContact CA-O 3.46Å; V120-V155 HydrophobicContact CG2-CG1 4.21Å; V120-K189 PolarHBondContact N-O 2.91Å; V120-K189 PolarHBondContact O-N 3.1Å; V120-D191 HydrophobicContact CG2-CB 3.83Å |
| 121 | V | 89.3 | Confident | 75.7 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 136.4 | 175.2 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | V119 L124 L133 M137 T153 G154 V156 I186 R187 V188 | V119-V121 HydrophobicContact CG2-CG2 4.33Å; V121-L124 HydrophobicContact CG1-CD1 4.33Å; V121-L124 HydrophobicContact CG1-CD2 4.1Å; V121-L124 HydrophobicContact CG1-CG 4.15Å; V121-L133 HydrophobicContact CB-CD1 4.21Å; V121-L133 HydrophobicContact CG1-CD1 3.99Å; V121-L133 HydrophobicContact CG2-CD1 4.09Å; V121-M137 HydrophobicContact CG2-CE 3.88Å; V121-M137 HydrophobicContact CG2-SD 4.31Å; V121-T153 CarbonylContact O-C 3.57Å; V121-T153 VanDerWaalsContact O-CA 3.3Å; V121-T153 WeakPolarHBondContact O-CA 3.26Å; V121-G154 PolarHBondContact N-O 2.74Å; V121-G154 PolarHBondContact O-N 3.27Å; V121-G154 VanDerWaalsContact O-O 3.12Å; V121-V156 HydrophobicContact CG2-CG2 3.98Å; V121-I186 HydrophobicContact CG1-CB 3.85Å; V121-I186 HydrophobicContact CG1-CD1 4.03Å; V121-I186 HydrophobicContact CG1-CG2 4.14Å; V121-R187 CarbonylContact C-O 3.52Å; V121-R187 VanDerWaalsContact CA-O 3.29Å; V121-R187 WeakPolarHBondContact CA-O 3.44Å; V121-V188 HydrophobicContact CG2-CG1 4.47Å; V121-V188 HydrophobicContact CG2-CG2 4.27Å |
| 122 | S | 90.4 | Very high | 77.8 | Confident | 37 Ų | 37 | 71 Ų | 71 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.2 | 179.4 | 52.8 | 0 | 0 | 0 | 0 | 110.3 | I186 R187 | S122-I186 CarbonylContact O-C 3.54Å; S122-I186 WeakPolarHBondContact O-CA 3.34Å; S122-R187 PolarHBondContact N-O 2.79Å; S122-R187 PolarHBondContact O-N 2.83Å; S122-R187 PolarHBondContact OG-O 2.81Å |
| 123 | G | 85.9 | Confident | 79.7 | Confident | 41 Ų | 41 | 65 Ų | 65 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | trans | 84.4 | 25.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | G152 A184 | G123-G152 PolarHBondContact N-O 3.29Å; G123-G152 VanDerWaalsContact N-O 3.11Å; G123-A184 VanDerWaalsContact O-CB 3.32Å; G123-A184 WeakPolarHBondContact O-CB 3.21Å | ||
| 124 | L | 86.1 | Confident | 81.5 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | trans | -72.3 | 143 | 172.7 | -66.5 | 166 | 0 | 0 | 0 | 110.2 | V121 L133 V148 G152 F176 I186 | V121-L124 HydrophobicContact CG1-CD1 4.33Å; V121-L124 HydrophobicContact CG1-CD2 4.1Å; V121-L124 HydrophobicContact CG1-CG 4.15Å; L124-L133 HydrophobicContact CD1-CD1 4.47Å; L124-L133 HydrophobicContact CD1-CD2 4.04Å; L124-L133 HydrophobicContact CD2-CD1 4.01Å; L124-V148 HydrophobicContact CD1-CB 4.46Å; L124-V148 HydrophobicContact CD1-CG1 3.84Å; L124-V148 HydrophobicContact CD1-CG2 3.84Å; L124-G152 PolarHBondContact N-O 3.41Å; L124-F176 HydrophobicContact CD2-CD1 4.07Å; L124-F176 HydrophobicContact CD2-CD2 4.22Å; L124-F176 HydrophobicContact CD2-CE1 4.01Å; L124-F176 HydrophobicContact CD2-CE2 4.19Å; L124-F176 HydrophobicContact CD2-CG 4.13Å; L124-F176 HydrophobicContact CD2-CZ 4.04Å; L124-I186 HydrophobicContact CD2-CG2 3.53Å; L124-I186 HydrophobicContact CG-CG2 4.23Å | ||
| 125 | P | 84.4 | Confident | 83.1 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | trans | -64.1 | 154.2 | 172.2 | 28.7 | -31.4 | 0 | 0 | 0 | 109.9 | S127 G128 F176 E182 A184 | P125-S127 PolarHBondContact O-N 3.27Å; P125-G128 WeakPolarHBondContact O-CA 3.37Å; P125-G128 PolarHBondContact O-N 3.21Å; P125-F176 HydrophobicContact CG-CD1 3.62Å; P125-F176 HydrophobicContact CG-CE1 3.64Å; P125-E182 HydrophobicContact CB-CB 4.05Å; P125-A184 HydrophobicContact CB-CB 4.32Å; P125-A184 HydrophobicContact CG-CB 4.43Å | ||
| 126 | Q | 79.8 | Confident | 84.7 | Confident | 189 Ų | 189 | 54.7 Ų | 54.7 | 88% | 0.883 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.6 | 179.7 | -79.2 | -175.9 | -11.8 | 0 | 0 | 112.6 | G128 | Q126-G128 VanDerWaalsContact C-N 3.26Š|
| 127 | S | 82.5 | Confident | 85.8 | Confident | 15 Ų | 15 | 46.2 Ų | 46.2 | 11% | 0.105 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -6.8 | 171.8 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | P125 S129 S178 H179 E180 E182 | P125-S127 PolarHBondContact O-N 3.27Å; S127-S129 PolarHBondContact O-N 3.41Å; S127-S178 VanDerWaalsContact OG-CB 3.28Å; S127-S178 WeakPolarHBondContact OG-CB 3.29Å; S127-S178 PolarHBondContact OG-OG 3.35Å; S127-H179 PolarHBondContact O-CE1 3.03Å; S127-E180 WeakPolarHBondContact CB-OE2 3.25Å; S127-E182 WeakPolarHBondContact CB-OE2 3.28Å; S127-E182 WeakPolarHBondContact OG-CB 2.85Å; S127-E182 WeakPolarHBondContact OG-CG 3.37Å; S127-E182 PolarHBondContact OG-OE2 2.73Å |
| 128 | G | 77.8 | Confident | 86 | Confident | 9 Ų | 9 | 50 Ų | 50 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | trans | -66.4 | 118 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P125 Q126 V148 | P125-G128 WeakPolarHBondContact O-CA 3.37Å; P125-G128 PolarHBondContact O-N 3.21Å; Q126-G128 VanDerWaalsContact C-N 3.26Å; G128-V148 WeakPolarHBondContact O-CG1 3.25Å | ||
| 129 | S | 85.6 | Confident | 86.1 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 21% | 0.21 | 27% | 0.267 | C | S | . | . | trans | -91.6 | 158.5 | 176.3 | 74.9 | 0 | 0 | 0 | 0 | 111.6 | S127 Q131 D132 L133 | S127-S129 PolarHBondContact O-N 3.41Å; S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.09Å; S129-D132 WeakPolarHBondContact CB-OD2 3.26Å; S129-D132 PolarHBondContact N-OD2 3.48Å; S129-D132 PolarHBondContact O-N 3.07Å; S129-D132 PolarHBondContact OG-N 2.87Å; S129-D132 VanDerWaalsContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.36Å; S129-L133 PolarHBondContact O-N 2.8Å | ||
| 130 | W | 85.5 | Confident | 85.8 | Confident | 122 Ų | 122 | 53.9 Ų | 53.9 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -24.7 | 172.1 | 67.9 | -95.4 | 0 | 0 | 0 | 112.6 | K134 V148 | W130-K134 HydrophobicContact CZ3-CD 4.35Å; W130-K134 VanDerWaalsContact O-CB 3.25Å; W130-K134 WeakPolarHBondContact O-CB 3.4Å; W130-K134 PolarHBondContact O-N 3.28Å; W130-V148 HydrophobicContact CB-CB 4.41Å; W130-V148 HydrophobicContact CB-CG2 4.07Å |
| 131 | Q | 86.2 | Confident | 85.7 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.8 | -48.5 | 176.8 | -177.2 | 175.5 | -7 | 0 | 0 | 110.7 | S129 L133 K134 D135 | S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.22Å; Q131-K134 WeakPolarHBondContact O-CB 3.46Å; Q131-K134 PolarHBondContact O-N 2.98Å; Q131-K134 VanDerWaalsContact O-N 3.1Å; Q131-D135 PolarHBondContact O-N 3.48Å |
| 132 | D | 88.1 | Confident | 85.4 | Confident | 27 Ų | 27 | 55.6 Ų | 55.6 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.8 | -43.4 | 173.9 | -60.1 | -42.6 | 0 | 0 | 0 | 110.2 | S129 K134 D135 H136 F176 H179 | S129-D132 WeakPolarHBondContact CB-OD2 3.26Å; S129-D132 PolarHBondContact N-OD2 3.48Å; S129-D132 PolarHBondContact O-N 3.07Å; S129-D132 PolarHBondContact OG-N 2.87Å; S129-D132 VanDerWaalsContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.36Å; D132-K134 PolarHBondContact O-N 3.27Å; D132-D135 PolarHBondContact O-N 3.22Å; D132-H136 WeakPolarHBondContact O-CB 3.34Å; D132-H136 PolarHBondContact O-N 2.91Å; D132-F176 HydrophobicContact CB-CE1 4.37Å; D132-F176 HydrophobicContact CB-CE2 4.05Å; D132-F176 HydrophobicContact CB-CZ 3.47Å; D132-F176 VanDerWaalsContact CB-CZ 3.47Å; D132-F176 WeakPolarHBondContact O-CE2 3.5Å; D132-H179 PolarHBondContact OD1-N 3.03Å; D132-H179 IonicContact OD2-CG 2.67Å; D132-H179 PolarHBondContact OD2-N 3.31Å; D132-H179 IonicContact OD2-ND1 3.58Å; D132-H179 PolarHBondContact OD2-ND1 3.01Å |
| 133 | L | 87.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 174.8 | 179.9 | 59.6 | 0 | 0 | 0 | 112 | V121 L124 S129 Q131 H136 M137 V148 V156 F176 | V121-L133 HydrophobicContact CB-CD1 4.21Å; V121-L133 HydrophobicContact CG1-CD1 3.99Å; V121-L133 HydrophobicContact CG2-CD1 4.09Å; L124-L133 HydrophobicContact CD1-CD1 4.47Å; L124-L133 HydrophobicContact CD1-CD2 4.04Å; L124-L133 HydrophobicContact CD2-CD1 4.01Å; S129-L133 PolarHBondContact O-N 2.8Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.22Å; L133-H136 PolarHBondContact O-N 3.45Å; L133-M137 HydrophobicContact CD1-CG 3.77Å; L133-M137 HydrophobicContact CG-CG 4.32Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.32Å; L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.93Å; L133-V148 HydrophobicContact CB-CG2 3.87Å; L133-V148 HydrophobicContact CD2-CG2 3.43Å; L133-V148 VanDerWaalsContact CD2-CG2 3.43Å; L133-V148 HydrophobicContact CG-CG2 4.29Å; L133-V156 HydrophobicContact CD1-CG2 4.15Å; L133-V156 HydrophobicContact CD2-CG2 3.58Å; L133-V156 HydrophobicContact CG-CG2 3.74Å; L133-F176 HydrophobicContact CB-CE2 4.41Å |
| 134 | K | 87.2 | Confident | 85 | Confident | 67 Ų | 67 | 55 Ų | 55 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 179 | -176.1 | 171.6 | -176.7 | 172.2 | 0 | 111.7 | W130 Q131 D132 M137 R138 V143 A146 | W130-K134 HydrophobicContact CZ3-CD 4.35Å; W130-K134 VanDerWaalsContact O-CB 3.25Å; W130-K134 WeakPolarHBondContact O-CB 3.4Å; W130-K134 PolarHBondContact O-N 3.28Å; Q131-K134 WeakPolarHBondContact O-CB 3.46Å; Q131-K134 PolarHBondContact O-N 2.98Å; Q131-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 PolarHBondContact O-N 3.27Å; K134-M137 PolarHBondContact O-N 3.37Å; K134-R138 PolarHBondContact O-N 3.49Å; K134-V143 HydrophobicContact CD-CG1 4.45Å; K134-V143 VanDerWaalsContact CE-O 3.26Å; K134-V143 WeakPolarHBondContact CE-O 3.43Å; K134-V143 HydrophobicContact CG-CB 4.09Å; K134-V143 HydrophobicContact CG-CG1 3.94Å; K134-V143 PolarHBondContact NZ-O 3.06Å; K134-A146 HydrophobicContact CB-CB 3.96Å; K134-A146 HydrophobicContact CG-CB 4.48Å |
| 135 | D | 87.4 | Confident | 84.7 | Confident | 85 Ų | 85 | 57.2 Ų | 57.2 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | -179.8 | -74.1 | -21.6 | 0 | 0 | 0 | 111.5 | Q131 D132 R138 | Q131-D135 PolarHBondContact O-N 3.48Å; D132-D135 PolarHBondContact O-N 3.22Å; D135-R138 VanDerWaalsContact O-CB 3.32Å; D135-R138 WeakPolarHBondContact O-CB 3.37Å; D135-R138 PolarHBondContact O-N 3.22Å |
| 136 | H | 86.9 | Confident | 84.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 174 | -168.5 | 89.8 | 0 | 0 | 0 | 112.2 | D132 L133 R138 E139 T174 K175 F176 | D132-H136 WeakPolarHBondContact O-CB 3.34Å; D132-H136 PolarHBondContact O-N 2.91Å; L133-H136 PolarHBondContact O-N 3.45Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 2.9Å; H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.77Å; H136-T174 PolarHBondContact NE2-OG1 2.91Å; H136-K175 PolarHBondContact CE1-O 3.14Å; H136-F176 HydrophobicContact CB-CD2 3.84Å; H136-F176 HydrophobicContact CB-CE2 3.93Å; H136-F176 AromaticContact CG-CD2 3.75Å; H136-F176 AromaticContact ND1-CD2 3.97Å |
| 137 | M | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -77.9 | -13.1 | -178.5 | -64.9 | -72.5 | -76.4 | 0 | 0 | 113.2 | V119 V121 L133 K134 E139 A140 V143 V156 F158 A167 L171 V188 | V119-M137 HydrophobicContact CG2-CE 3.52Å; V121-M137 HydrophobicContact CG2-CE 3.88Å; V121-M137 HydrophobicContact CG2-SD 4.31Å; L133-M137 HydrophobicContact CD1-CG 3.77Å; L133-M137 HydrophobicContact CG-CG 4.32Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.32Å; L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.93Å; K134-M137 PolarHBondContact O-N 3.37Å; M137-E139 PolarHBondContact O-N 3.5Å; M137-A140 PolarHBondContact O-N 2.92Å; M137-A140 VanDerWaalsContact O-N 3.1Å; M137-V143 HydrophobicContact CB-CG2 3.86Å; M137-V156 HydrophobicContact CB-CG1 4.06Å; M137-V156 HydrophobicContact CE-CB 4.05Å; M137-V156 HydrophobicContact CE-CG1 4.1Å; M137-V156 HydrophobicContact CE-CG2 4.11Å; M137-V156 HydrophobicContact CG-CG1 4.32Å; M137-V156 HydrophobicContact CG-CG2 4.09Å; M137-F158 HydrophobicContact CB-CZ 4.35Å; M137-F158 HydrophobicContact CE-CE2 3.97Å; M137-F158 HydrophobicContact CE-CZ 3.73Å; M137-A167 HydrophobicContact CE-CB 4.18Å; M137-L171 HydrophobicContact SD-CB 4.37Å; M137-L171 HydrophobicContact SD-CD1 3.58Å; M137-L171 VanDerWaalsContact SD-CD1 3.58Å; M137-V188 HydrophobicContact CE-CG1 3.95Å; M137-V188 HydrophobicContact CE-CG2 4.35Å; M137-V188 HydrophobicContact SD-CG2 4.24Å |
| 138 | R | 86.6 | Confident | 85.3 | Confident | 164 Ų | 164 | 51 Ų | 51 | 62% | 0.619 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -20 | 172.6 | -133.5 | 175.2 | 95.3 | -163.6 | 8.7 | 113.2 | K134 D135 H136 A140 G141 | K134-R138 PolarHBondContact O-N 3.49Å; D135-R138 VanDerWaalsContact O-CB 3.32Å; D135-R138 WeakPolarHBondContact O-CB 3.37Å; D135-R138 PolarHBondContact O-N 3.22Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 2.9Å; R138-A140 PolarHBondContact O-N 2.83Å; R138-G141 WeakPolarHBondContact CA-O 3.5Å; R138-G141 PolarHBondContact O-N 2.82Å |
| 139 | E | 85.3 | Confident | 85.6 | Confident | 126 Ų | 126 | 55 Ų | 55 | 59% | 0.589 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.4 | 171.5 | -174 | 177.1 | 141.3 | 0 | 0 | 112 | H136 M137 L171 | H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.77Å; M137-E139 PolarHBondContact O-N 3.5Å; E139-L171 HydrophobicContact CB-CD2 4.11Å; E139-L171 HydrophobicContact CG-CD2 4.2Å |
| 140 | A | 84.1 | Confident | 85.2 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -20.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M137 R138 F158 Y166 A167 L171 | M137-A140 PolarHBondContact O-N 2.92Å; M137-A140 VanDerWaalsContact O-N 3.1Å; R138-A140 PolarHBondContact O-N 2.83Å; A140-F158 HydrophobicContact CB-CE1 4.29Å; A140-F158 HydrophobicContact CB-CZ 4.36Å; A140-Y166 HydrophobicContact CB-CD1 3.82Å; A140-Y166 HydrophobicContact CB-CE1 4.46Å; A140-A167 VanDerWaalsContact CB-CA 3.46Å; A140-A167 HydrophobicContact CB-CB 3.45Å; A140-A167 VanDerWaalsContact CB-CB 3.45Å; A140-L171 HydrophobicContact CB-CD1 3.42Å; A140-L171 VanDerWaalsContact CB-CD1 3.42Å; A140-L171 HydrophobicContact CB-CG 4.03Å |
| 141 | G | 85.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 65.2 Ų | 65.2 | 18% | 0.175 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 156.1 | -167.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R138 V143 | R138-G141 WeakPolarHBondContact CA-O 3.5Å; R138-G141 PolarHBondContact O-N 2.82Å; G141-V143 PolarHBondContact O-N 2.8Å |
| 142 | D | 83.4 | Confident | 84.7 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | trans | -79.7 | 110.8 | -174.7 | -73.2 | -60.5 | 0 | 0 | 0 | 111.4 | R81 V159 D163 | R81-D142 IonicContact CZ-OD1 2.87Å; R81-D142 IonicContact CZ-OD2 3.07Å; R81-D142 VanDerWaalsContact CZ-OD2 3.29Å; R81-D142 IonicContact NH1-OD1 3.49Å; R81-D142 PolarHBondContact NH1-OD1 3.43Å; R81-D142 IonicContact NH1-OD2 3.9Å; R81-D142 PolarHBondContact NH1-OD2 2.89Å; R81-D142 IonicContact NH2-OD1 3.59Å; R81-D142 IonicContact NH2-OD2 3.84Å; R81-D142 PolarHBondContact NH2-OD2 2.97Å; D142-V159 HydrophobicContact CB-CG2 4.11Å; D142-V159 WeakPolarHBondContact O-CG2 3.2Å; D142-V159 PolarHBondContact O-N 3.28Å; D142-D163 PolarHBondContact N-OD2 2.89Å | ||
| 143 | V | 85.4 | Confident | 84.7 | Confident | 13 Ų | 13 | 61.1 Ų | 61.1 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 114 | 178.5 | 178 | 0 | 0 | 0 | 0 | 110.4 | K134 M137 G141 Y145 A146 V156 F158 | K134-V143 HydrophobicContact CD-CG1 4.45Å; K134-V143 VanDerWaalsContact CE-O 3.26Å; K134-V143 WeakPolarHBondContact CE-O 3.43Å; K134-V143 HydrophobicContact CG-CB 4.09Å; K134-V143 HydrophobicContact CG-CG1 3.94Å; K134-V143 PolarHBondContact NZ-O 3.06Å; M137-V143 HydrophobicContact CB-CG2 3.86Å; G141-V143 PolarHBondContact O-N 2.8Å; V143-Y145 VanDerWaalsContact CG1-O 3.25Å; V143-Y145 WeakPolarHBondContact CG1-O 3.37Å; V143-A146 HydrophobicContact CG1-CB 4.14Å; V143-V156 HydrophobicContact CB-CG1 4.34Å; V143-V156 HydrophobicContact CG1-CG1 3.54Å; V143-V156 HydrophobicContact CG2-CG1 3.85Å; V143-F158 HydrophobicContact CG2-CD1 4.04Å; V143-F158 HydrophobicContact CG2-CE1 3.65Å; V143-F158 HydrophobicContact CG2-CZ 4.29Å |
| 144 | C | 82.7 | Confident | 84.7 | Confident | 52 Ų | 52 | 61.1 Ų | 61.1 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -26.6 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 112.7 | E157 V159 | C144-E157 PolarHBondContact N-O 2.75Å; C144-E157 PolarHBondContact SG-O 3.13Å; C144-V159 HydrophobicContact CB-CG2 3.85Å |
| 145 | Y | 80.9 | Confident | 84.8 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 23% | 0.231 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 139.6 | 178 | 178.3 | -102.8 | 0 | 0 | 0 | 111.1 | P110 V143 D147 V155 V156 E157 | P110-Y145 HydrophobicContact CB-CD2 3.64Å; P110-Y145 HydrophobicContact CB-CE2 3.69Å; P110-Y145 HydrophobicContact CG-CD2 4.26Å; P110-Y145 HydrophobicContact CG-CE2 3.79Å; V143-Y145 VanDerWaalsContact CG1-O 3.25Å; V143-Y145 WeakPolarHBondContact CG1-O 3.37Å; Y145-D147 HydrophobicContact CE1-CB 4Å; Y145-D147 PolarHBondContact OH-OD2 2.93Å; Y145-V155 HydrophobicContact CE1-CG2 4.06Å; Y145-V156 CarbonylContact O-C 3.47Å; Y145-V156 WeakPolarHBondContact O-CA 3.23Å; Y145-E157 HydrophobicContact CD1-CG 3.95Å; Y145-E157 PolarHBondContact N-O 3.17Å; Y145-E157 PolarHBondContact O-N 2.91Å |
| 146 | A | 86.3 | Confident | 84.9 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 9% | 0.091 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 140.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K134 V143 V155 V156 | K134-A146 HydrophobicContact CB-CB 3.96Å; K134-A146 HydrophobicContact CG-CB 4.48Å; V143-A146 HydrophobicContact CG1-CB 4.14Å; A146-V155 CarbonylContact C-O 3.54Å; A146-V155 VanDerWaalsContact CA-O 3.28Å; A146-V155 WeakPolarHBondContact CA-O 3.21Å; A146-V156 HydrophobicContact CB-CG2 4.35Å |
| 147 | D | 84.1 | Confident | 84.9 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.3 | 175.9 | -168.2 | 19.6 | 0 | 0 | 0 | 109.4 | Y145 Y149 G154 V155 | Y145-D147 HydrophobicContact CE1-CB 4Å; Y145-D147 PolarHBondContact OH-OD2 2.93Å; D147-Y149 WeakPolarHBondContact OD2-CE1 3.24Å; D147-Y149 PolarHBondContact OD2-OH 2.85Å; D147-G154 CarbonylContact O-C 3.59Å; D147-G154 WeakPolarHBondContact O-CA 3.17Å; D147-V155 HydrophobicContact CB-CG2 3.76Å; D147-V155 PolarHBondContact N-O 3.16Å; D147-V155 PolarHBondContact O-N 3.06Å |
| 148 | V | 87.2 | Confident | 84.8 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 19% | 0.188 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 128.8 | -179.2 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | L124 G128 W130 L133 | L124-V148 HydrophobicContact CD1-CB 4.46Å; L124-V148 HydrophobicContact CD1-CG1 3.84Å; L124-V148 HydrophobicContact CD1-CG2 3.84Å; G128-V148 WeakPolarHBondContact O-CG1 3.25Å; W130-V148 HydrophobicContact CB-CB 4.41Å; W130-V148 HydrophobicContact CB-CG2 4.07Å; L133-V148 HydrophobicContact CB-CG2 3.87Å; L133-V148 HydrophobicContact CD2-CG2 3.43Å; L133-V148 VanDerWaalsContact CD2-CG2 3.43Å; L133-V148 HydrophobicContact CG-CG2 4.29Å |
| 149 | Y | 85.3 | Confident | 84.7 | Confident | 93 Ų | 93 | 48.4 Ų | 48.4 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | trans | -98 | 153.8 | -179.6 | -58.5 | -68.7 | 0 | 0 | 0 | 110.6 | D147 D151 G152 T153 V155 | D147-Y149 WeakPolarHBondContact OD2-CE1 3.24Å; D147-Y149 PolarHBondContact OD2-OH 2.85Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.41Å; Y149-D151 PolarHBondContact O-N 3.19Å; Y149-D151 VanDerWaalsContact O-N 3.11Å; Y149-G152 PolarHBondContact O-N 3.49Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; Y149-T153 WeakPolarHBondContact CA-O 3.44Å; Y149-T153 WeakPolarHBondContact CB-O 3.5Å; Y149-T153 WeakPolarHBondContact CD2-OG1 3.28Å; Y149-T153 PolarHBondContact N-O 2.8Å; Y149-V155 HydrophobicContact CE2-CB 4.47Å; Y149-V155 HydrophobicContact CE2-CG1 3.84Å; Y149-V155 HydrophobicContact CE2-CG2 3.9Å | ||
| 150 | R | 77.7 | Confident | 84.5 | Confident | 254 Ų | 254 | 48 Ų | 48 | 96% | 0.958 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.1 | -179.4 | -71.6 | -177.5 | 175.6 | -146.4 | -2.7 | 114.3 | ||
| 151 | D | 81.9 | Confident | 84.4 | Confident | 114 Ų | 114 | 53.6 Ų | 53.6 | 61% | 0.61 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 6.2 | 175.9 | 66.7 | -13.5 | 0 | 0 | 0 | 112.8 | Y149 T153 | Y149-D151 WeakPolarHBondContact CB-OD1 3.41Å; Y149-D151 PolarHBondContact O-N 3.19Å; Y149-D151 VanDerWaalsContact O-N 3.11Å; D151-T153 VanDerWaalsContact CG-OG1 3.24Å; D151-T153 PolarHBondContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 PolarHBondContact OD1-N 3.4Å; D151-T153 PolarHBondContact OD1-OG1 3.08Å; D151-T153 PolarHBondContact OD2-OG1 3.16Å |
| 152 | G | 79.2 | Confident | 84.4 | Confident | 12 Ų | 12 | 58.4 Ų | 58.4 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | S | Bend | trans | 75.7 | 15 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G123 L124 Y149 | G123-G152 PolarHBondContact N-O 3.29Å; G123-G152 VanDerWaalsContact N-O 3.11Å; L124-G152 PolarHBondContact N-O 3.41Å; Y149-G152 PolarHBondContact O-N 3.49Å; Y149-G152 VanDerWaalsContact O-N 3.16Å |
| 153 | T | 86.8 | Confident | 84.7 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 23% | 0.233 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 153 | 167.7 | 73 | 0 | 0 | 0 | 0 | 110.3 | V121 Y149 D151 | V121-T153 CarbonylContact O-C 3.57Å; V121-T153 VanDerWaalsContact O-CA 3.3Å; V121-T153 WeakPolarHBondContact O-CA 3.26Å; Y149-T153 WeakPolarHBondContact CA-O 3.44Å; Y149-T153 WeakPolarHBondContact CB-O 3.5Å; Y149-T153 WeakPolarHBondContact CD2-OG1 3.28Å; Y149-T153 PolarHBondContact N-O 2.8Å; D151-T153 VanDerWaalsContact CG-OG1 3.24Å; D151-T153 PolarHBondContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 PolarHBondContact OD1-N 3.4Å; D151-T153 PolarHBondContact OD1-OG1 3.08Å; D151-T153 PolarHBondContact OD2-OG1 3.16Å |
| 154 | G | 88.3 | Confident | 84.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 161.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.7 | V120 V121 D147 | V120-G154 CarbonylContact C-O 3.55Å; V120-G154 WeakPolarHBondContact CA-O 3.46Å; V121-G154 PolarHBondContact N-O 2.74Å; V121-G154 PolarHBondContact O-N 3.27Å; V121-G154 VanDerWaalsContact O-O 3.12Å; D147-G154 CarbonylContact O-C 3.59Å; D147-G154 WeakPolarHBondContact O-CA 3.17Å |
| 155 | V | 89.4 | Confident | 84.9 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 140 | 179 | -66.4 | 0 | 0 | 0 | 0 | 108.4 | V119 V120 Y145 A146 D147 Y149 | V119-V155 WeakPolarHBondContact O-CA 3.49Å; V120-V155 HydrophobicContact CG2-CG1 4.21Å; Y145-V155 HydrophobicContact CE1-CG2 4.06Å; A146-V155 CarbonylContact C-O 3.54Å; A146-V155 VanDerWaalsContact CA-O 3.28Å; A146-V155 WeakPolarHBondContact CA-O 3.21Å; D147-V155 HydrophobicContact CB-CG2 3.76Å; D147-V155 PolarHBondContact N-O 3.16Å; D147-V155 PolarHBondContact O-N 3.06Å; Y149-V155 HydrophobicContact CE2-CB 4.47Å; Y149-V155 HydrophobicContact CE2-CG1 3.84Å; Y149-V155 HydrophobicContact CE2-CG2 3.9Å |
| 156 | V | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130 | -176.1 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | R118 V119 V121 L133 M137 V143 Y145 A146 F158 | R118-V156 CarbonylContact C-O 3.51Å; R118-V156 WeakPolarHBondContact CA-O 3.08Å; V119-V156 HydrophobicContact CG2-CB 3.72Å; V119-V156 HydrophobicContact CG2-CG1 4.48Å; V119-V156 PolarHBondContact N-O 3.23Å; V119-V156 PolarHBondContact O-N 3.48Å; V121-V156 HydrophobicContact CG2-CG2 3.98Å; L133-V156 HydrophobicContact CD1-CG2 4.15Å; L133-V156 HydrophobicContact CD2-CG2 3.58Å; L133-V156 HydrophobicContact CG-CG2 3.74Å; M137-V156 HydrophobicContact CB-CG1 4.06Å; M137-V156 HydrophobicContact CE-CB 4.05Å; M137-V156 HydrophobicContact CE-CG1 4.1Å; M137-V156 HydrophobicContact CE-CG2 4.11Å; M137-V156 HydrophobicContact CG-CG1 4.32Å; M137-V156 HydrophobicContact CG-CG2 4.09Å; V143-V156 HydrophobicContact CB-CG1 4.34Å; V143-V156 HydrophobicContact CG1-CG1 3.54Å; V143-V156 HydrophobicContact CG2-CG1 3.85Å; Y145-V156 CarbonylContact O-C 3.47Å; Y145-V156 WeakPolarHBondContact O-CA 3.23Å; A146-V156 HydrophobicContact CB-CG2 4.35Å; V156-F158 HydrophobicContact CG1-CE2 4.04Å; V156-F158 HydrophobicContact CG1-CZ 4.09Å |
| 157 | E | 86.3 | Confident | 85.3 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 9% | 0.089 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 133.8 | 173.8 | -55.9 | 178.2 | 171.9 | 0 | 0 | 109 | R118 C144 Y145 | R118-E157 HydrophobicContact CB-CG 4Å; R118-E157 HydrophobicContact CG-CG 3.88Å; C144-E157 PolarHBondContact N-O 2.75Å; C144-E157 PolarHBondContact SG-O 3.13Å; Y145-E157 HydrophobicContact CD1-CG 3.95Å; Y145-E157 PolarHBondContact N-O 3.17Å; Y145-E157 PolarHBondContact O-N 2.91Å |
| 158 | F | 85.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 153.2 | 176.8 | -68.7 | -84.3 | 0 | 0 | 0 | 110.8 | S115 Y117 V119 M137 A140 V143 V156 R160 D163 M164 A167 | S115-F158 WeakPolarHBondContact CB-O 3.23Å; Y117-F158 PolarHBondContact O-N 3.11Å; V119-F158 HydrophobicContact CG1-CD2 4.43Å; V119-F158 HydrophobicContact CG1-CE2 4.11Å; V119-F158 HydrophobicContact CG2-CD2 4.48Å; V119-F158 HydrophobicContact CG2-CE2 3.75Å; M137-F158 HydrophobicContact CB-CZ 4.35Å; M137-F158 HydrophobicContact CE-CE2 3.97Å; M137-F158 HydrophobicContact CE-CZ 3.73Å; A140-F158 HydrophobicContact CB-CE1 4.29Å; A140-F158 HydrophobicContact CB-CZ 4.36Å; V143-F158 HydrophobicContact CG2-CD1 4.04Å; V143-F158 HydrophobicContact CG2-CE1 3.65Å; V143-F158 HydrophobicContact CG2-CZ 4.29Å; V156-F158 HydrophobicContact CG1-CE2 4.04Å; V156-F158 HydrophobicContact CG1-CZ 4.09Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 WeakPolarHBondContact CB-O 3.49Å; F158-D163 HydrophobicContact CB-CB 4.16Å; F158-D163 HydrophobicContact CD1-CB 3.74Å; F158-D163 HydrophobicContact CE1-CB 4.42Å; F158-D163 HydrophobicContact CG-CB 4.11Å; F158-M164 HydrophobicContact CB-CB 4.22Å; F158-M164 HydrophobicContact CD2-CB 3.78Å; F158-M164 HydrophobicContact CD2-CG 4.25Å; F158-M164 HydrophobicContact CG-CB 4.24Å; F158-A167 HydrophobicContact CE1-CB 4.29Å; F158-A167 HydrophobicContact CE2-CB 3.63Å; F158-A167 HydrophobicContact CZ-CB 3.38Å |
| 159 | V | 83.1 | Confident | 85.4 | Confident | 60 Ų | 60 | 67 Ų | 67 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -66.6 | -39.2 | 171.6 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | Y117 D142 C144 | Y117-V159 WeakPolarHBondContact CD2-O 2.98Å; D142-V159 HydrophobicContact CB-CG2 4.11Å; D142-V159 WeakPolarHBondContact O-CG2 3.2Å; D142-V159 PolarHBondContact O-N 3.28Å; C144-V159 HydrophobicContact CB-CG2 3.85Å |
| 160 | R | 82.8 | Confident | 85.5 | Confident | 117 Ų | 117 | 68.1 Ų | 68.1 | 44% | 0.442 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -116.5 | 148.7 | -175.6 | -56.4 | 179.2 | 69.6 | 88.1 | 1.6 | 112.6 | F158 E162 D163 M164 | F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 WeakPolarHBondContact CB-O 3.49Å; R160-E162 VanDerWaalsContact C-N 3.3Å; R160-E162 IonicContact CZ-OE2 3.23Å; R160-E162 VanDerWaalsContact CZ-OE2 3.26Å; R160-E162 IonicContact NE-OE2 3.75Å; R160-E162 PolarHBondContact NE-OE2 2.73Å; R160-E162 IonicContact NH2-OE1 3.26Å; R160-E162 PolarHBondContact NH2-OE1 3.42Å; R160-E162 IonicContact NH2-OE2 3.02Å; R160-E162 PolarHBondContact NH2-OE2 3.28Å; R160-E162 PolarHBondContact O-N 3.33Å; R160-D163 HydrophobicContact CB-CB 4.43Å; R160-M164 PolarHBondContact O-N 3.31Å |
| 161 | K | 80.5 | Confident | 85.9 | Confident | 128 Ų | 128 | 56 Ų | 56 | 56% | 0.557 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -64.8 | -34.6 | 173.1 | -169.6 | -178 | 174.1 | -177.3 | 0 | 112.6 | Y117 M164 T165 | Y117-K161 HydrophobicContact CD1-CB 3.62Å; Y117-K161 HydrophobicContact CD1-CG 3.88Å; Y117-K161 HydrophobicContact CE1-CB 3.52Å; Y117-K161 HydrophobicContact CE1-CD 4.18Å; Y117-K161 HydrophobicContact CE1-CG 3.89Å; Y117-K161 HydrophobicContact CE2-CB 4.42Å; Y117-K161 HydrophobicContact CG-CB 4.13Å; K161-M164 HydrophobicContact CG-CE 3.86Å; K161-M164 PolarHBondContact O-N 3.23Å; K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 3.43Å; K161-T165 PolarHBondContact O-OG1 3.07Å |
| 162 | E | 85.8 | Confident | 86.1 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.3 | -52.1 | 179.1 | -68.2 | 144.9 | -161.7 | 0 | 0 | 110.2 | R160 M164 T165 Y166 | R160-E162 VanDerWaalsContact C-N 3.3Å; R160-E162 IonicContact CZ-OE2 3.23Å; R160-E162 VanDerWaalsContact CZ-OE2 3.26Å; R160-E162 IonicContact NE-OE2 3.75Å; R160-E162 PolarHBondContact NE-OE2 2.73Å; R160-E162 IonicContact NH2-OE1 3.26Å; R160-E162 PolarHBondContact NH2-OE1 3.42Å; R160-E162 IonicContact NH2-OE2 3.02Å; R160-E162 PolarHBondContact NH2-OE2 3.28Å; R160-E162 PolarHBondContact O-N 3.33Å; E162-M164 PolarHBondContact O-N 3.06Å; E162-T165 PolarHBondContact O-N 2.9Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-Y166 WeakPolarHBondContact O-CB 3.2Å; E162-Y166 PolarHBondContact O-N 3.31Å |
| 163 | D | 89.4 | Confident | 86.5 | Confident | 25 Ų | 25 | 56.8 Ų | 56.8 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.8 | -45 | 176.8 | -57.7 | 5.7 | 0 | 0 | 0 | 111.7 | D142 F158 R160 T165 Y166 A167 | D142-D163 PolarHBondContact N-OD2 2.89Å; F158-D163 HydrophobicContact CB-CB 4.16Å; F158-D163 HydrophobicContact CD1-CB 3.74Å; F158-D163 HydrophobicContact CE1-CB 4.42Å; F158-D163 HydrophobicContact CG-CB 4.11Å; R160-D163 HydrophobicContact CB-CB 4.43Å; D163-T165 PolarHBondContact O-N 3.38Å; D163-Y166 PolarHBondContact O-N 2.83Å; D163-A167 VanDerWaalsContact O-CB 3.31Å; D163-A167 WeakPolarHBondContact O-CB 3.25Å; D163-A167 PolarHBondContact O-N 3.49Å |
| 164 | M | 86.5 | Confident | 86.6 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.089 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -46.4 | 175.2 | 178.4 | -154.3 | 62.9 | 0 | 0 | 111.9 | Y117 V119 F158 R160 K161 E162 Y166 A167 V168 L190 | Y117-M164 WeakPolarHBondContact CA-SD 3.3Å; V119-M164 HydrophobicContact CG1-CG 3.46Å; V119-M164 VanDerWaalsContact CG1-CG 3.46Å; F158-M164 HydrophobicContact CB-CB 4.22Å; F158-M164 HydrophobicContact CD2-CB 3.78Å; F158-M164 HydrophobicContact CD2-CG 4.25Å; F158-M164 HydrophobicContact CG-CB 4.24Å; R160-M164 PolarHBondContact O-N 3.31Å; K161-M164 HydrophobicContact CG-CE 3.86Å; K161-M164 PolarHBondContact O-N 3.23Å; E162-M164 PolarHBondContact O-N 3.06Å; M164-Y166 VanDerWaalsContact C-N 3.34Å; M164-A167 PolarHBondContact O-N 3.14Å; M164-V168 WeakPolarHBondContact O-CG2 3.27Å; M164-V168 PolarHBondContact O-N 2.67Å; M164-V168 VanDerWaalsContact O-N 3.12Å; M164-L190 HydrophobicContact CE-CD2 3.51Å; M164-L190 HydrophobicContact CG-CD2 3.86Å; M164-L190 HydrophobicContact SD-CD2 3.57Å; M164-L190 VanDerWaalsContact SD-CD2 3.57Å |
| 165 | T | 87.1 | Confident | 86.6 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.9 | -38.6 | -179.8 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | K161 E162 D163 R169 | K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 3.43Å; K161-T165 PolarHBondContact O-OG1 3.07Å; E162-T165 PolarHBondContact O-N 2.9Å; E162-T165 VanDerWaalsContact O-N 3.13Å; D163-T165 PolarHBondContact O-N 3.38Å; T165-R169 VanDerWaalsContact O-CG 3.28Å; T165-R169 WeakPolarHBondContact O-CG 3.28Å; T165-R169 PolarHBondContact O-N 3.08Å |
| 166 | Y | 88.1 | Confident | 86.6 | Confident | 110 Ų | 110 | 62.2 Ų | 62.2 | 43% | 0.431 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 175.1 | -173.9 | -98.9 | 0 | 0 | 0 | 111.4 | A140 E162 D163 M164 V168 R169 K170 | A140-Y166 HydrophobicContact CB-CD1 3.82Å; A140-Y166 HydrophobicContact CB-CE1 4.46Å; E162-Y166 WeakPolarHBondContact O-CB 3.2Å; E162-Y166 PolarHBondContact O-N 3.31Å; D163-Y166 PolarHBondContact O-N 2.83Å; M164-Y166 VanDerWaalsContact C-N 3.34Å; Y166-V168 PolarHBondContact O-N 3.05Å; Y166-R169 PolarHBondContact O-N 2.78Å; Y166-R169 VanDerWaalsContact O-N 3.12Å; Y166-K170 HydrophobicContact CD1-CB 4.23Å; Y166-K170 HydrophobicContact CE1-CB 3.93Å; Y166-K170 HydrophobicContact CE1-CG 3.95Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 HydrophobicContact CE2-CG 4.48Å; Y166-K170 VanDerWaalsContact O-CB 3.25Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.12Å |
| 167 | A | 87.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.3 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | M137 A140 F158 D163 M164 R169 L171 | M137-A167 HydrophobicContact CE-CB 4.18Å; A140-A167 VanDerWaalsContact CB-CA 3.46Å; A140-A167 HydrophobicContact CB-CB 3.45Å; A140-A167 VanDerWaalsContact CB-CB 3.45Å; F158-A167 HydrophobicContact CE1-CB 4.29Å; F158-A167 HydrophobicContact CE2-CB 3.63Å; F158-A167 HydrophobicContact CZ-CB 3.38Å; D163-A167 VanDerWaalsContact O-CB 3.31Å; D163-A167 WeakPolarHBondContact O-CB 3.25Å; D163-A167 PolarHBondContact O-N 3.49Å; M164-A167 PolarHBondContact O-N 3.14Å; A167-R169 VanDerWaalsContact C-N 3.29Å; A167-R169 PolarHBondContact O-N 3.38Å; A167-L171 HydrophobicContact CB-CD1 4.24Å; A167-L171 WeakPolarHBondContact O-CA 3.46Å; A167-L171 VanDerWaalsContact O-CB 3.22Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 3.07Å |
| 168 | V | 88.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.4 | -35.3 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111.7 | V119 M164 Y166 D172 V188 L190 | V119-V168 HydrophobicContact CG1-CG2 3.71Å; M164-V168 WeakPolarHBondContact O-CG2 3.27Å; M164-V168 PolarHBondContact O-N 2.67Å; M164-V168 VanDerWaalsContact O-N 3.12Å; Y166-V168 PolarHBondContact O-N 3.05Å; V168-D172 VanDerWaalsContact O-CB 3.24Å; V168-D172 WeakPolarHBondContact O-CB 3.22Å; V168-V188 HydrophobicContact CG2-CG1 3.94Å; V168-L190 HydrophobicContact CG1-CG 4.38Å; V168-L190 HydrophobicContact CG2-CD2 3.72Å; V168-L190 HydrophobicContact CG2-CG 3.88Å |
| 169 | R | 85.1 | Confident | 86 | Confident | 208 Ų | 208 | 76.1 Ų | 76.1 | 79% | 0.785 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -80.5 | -35.3 | -178.6 | -70.4 | 175.4 | 69.9 | -169.5 | 2.1 | 113.4 | T165 Y166 A167 | T165-R169 VanDerWaalsContact O-CG 3.28Å; T165-R169 WeakPolarHBondContact O-CG 3.28Å; T165-R169 PolarHBondContact O-N 3.08Å; Y166-R169 PolarHBondContact O-N 2.78Å; Y166-R169 VanDerWaalsContact O-N 3.12Å; A167-R169 VanDerWaalsContact C-N 3.29Å; A167-R169 PolarHBondContact O-N 3.38Å |
| 170 | K | 86.4 | Confident | 85.8 | Confident | 115 Ų | 115 | 79.7 Ų | 79.7 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -105 | -35.8 | -169 | -170.9 | 67.9 | 177.8 | -178 | 0 | 113.1 | Y166 T174 | Y166-K170 HydrophobicContact CD1-CB 4.23Å; Y166-K170 HydrophobicContact CE1-CB 3.93Å; Y166-K170 HydrophobicContact CE1-CG 3.95Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 HydrophobicContact CE2-CG 4.48Å; Y166-K170 VanDerWaalsContact O-CB 3.25Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.12Å; K170-T174 WeakPolarHBondContact O-CG2 3.31Å |
| 171 | L | 86.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -94.3 | -6.3 | -176.7 | -56.6 | -178.7 | 0 | 0 | 0 | 113.4 | M137 E139 A140 A167 T174 V188 | M137-L171 HydrophobicContact SD-CB 4.37Å; M137-L171 HydrophobicContact SD-CD1 3.58Å; M137-L171 VanDerWaalsContact SD-CD1 3.58Å; E139-L171 HydrophobicContact CB-CD2 4.11Å; E139-L171 HydrophobicContact CG-CD2 4.2Å; A140-L171 HydrophobicContact CB-CD1 3.42Å; A140-L171 VanDerWaalsContact CB-CD1 3.42Å; A140-L171 HydrophobicContact CB-CG 4.03Å; A167-L171 HydrophobicContact CB-CD1 4.24Å; A167-L171 WeakPolarHBondContact O-CA 3.46Å; A167-L171 VanDerWaalsContact O-CB 3.22Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 3.07Å; L171-T174 HydrophobicContact CD2-CG2 4.41Å; L171-T174 WeakPolarHBondContact O-CB 3.34Å; L171-T174 WeakPolarHBondContact O-CG2 3.44Å; L171-T174 PolarHBondContact O-N 3.41Å; L171-T174 PolarHBondContact O-OG1 2.78Å; L171-V188 HydrophobicContact CB-CG2 4.14Å |
| 172 | D | 87.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 74.8 Ų | 74.8 | 31% | 0.305 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 135.5 | 170.7 | -171.9 | 60.8 | 0 | 0 | 0 | 111.7 | V168 T174 R187 V188 | V168-D172 VanDerWaalsContact O-CB 3.24Å; V168-D172 WeakPolarHBondContact O-CB 3.22Å; D172-T174 PolarHBondContact O-N 3.1Å; D172-R187 VanDerWaalsContact OD1-CA 3.24Å; D172-R187 WeakPolarHBondContact OD1-CA 3.38Å; D172-V188 HydrophobicContact CB-CB 4.5Å; D172-V188 PolarHBondContact OD1-N 3.17Å |
| 173 | N | 87.7 | Confident | 85.8 | Confident | 85 Ų | 85 | 72.6 Ų | 72.6 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 26.9 | -172.4 | -54.5 | -62 | 0 | 0 | 0 | 114.6 | I186 | N173-I186 WeakPolarHBondContact CA-O 3.49Å; N173-I186 PolarHBondContact N-O 2.91Å |
| 174 | T | 88.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 152 | 172 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | H136 K170 L171 D172 F176 Y185 I186 | H136-T174 PolarHBondContact NE2-OG1 2.91Å; K170-T174 WeakPolarHBondContact O-CG2 3.31Å; L171-T174 HydrophobicContact CD2-CG2 4.41Å; L171-T174 WeakPolarHBondContact O-CB 3.34Å; L171-T174 WeakPolarHBondContact O-CG2 3.44Å; L171-T174 PolarHBondContact O-N 3.41Å; L171-T174 PolarHBondContact O-OG1 2.78Å; D172-T174 PolarHBondContact O-N 3.1Å; T174-F176 PolarHBondContact O-N 2.78Å; T174-Y185 WeakPolarHBondContact O-CA 3.46Å; T174-I186 WeakPolarHBondContact O-CG1 3.35Å; T174-I186 PolarHBondContact O-N 2.91Å |
| 175 | K | 88.8 | Confident | 85.9 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 108.1 | 176.2 | -173.7 | 176.8 | -179.4 | 179.5 | 0 | 109.1 | H136 T183 Y185 | H136-K175 PolarHBondContact CE1-O 3.14Å; K175-T183 WeakPolarHBondContact CE-OG1 3.18Å; K175-Y185 HydrophobicContact CB-CD1 4.4Å; K175-Y185 HydrophobicContact CB-CE1 4.13Å |
| 176 | F | 87.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.5 | 171.4 | -179.7 | -97.2 | 0 | 0 | 0 | 110.3 | L124 P125 D132 L133 H136 T174 T183 A184 I186 | L124-F176 HydrophobicContact CD2-CD1 4.07Å; L124-F176 HydrophobicContact CD2-CD2 4.22Å; L124-F176 HydrophobicContact CD2-CE1 4.01Å; L124-F176 HydrophobicContact CD2-CE2 4.19Å; L124-F176 HydrophobicContact CD2-CG 4.13Å; L124-F176 HydrophobicContact CD2-CZ 4.04Å; P125-F176 HydrophobicContact CG-CD1 3.62Å; P125-F176 HydrophobicContact CG-CE1 3.64Å; D132-F176 HydrophobicContact CB-CE1 4.37Å; D132-F176 HydrophobicContact CB-CE2 4.05Å; D132-F176 HydrophobicContact CB-CZ 3.47Å; D132-F176 VanDerWaalsContact CB-CZ 3.47Å; D132-F176 WeakPolarHBondContact O-CE2 3.5Å; L133-F176 HydrophobicContact CB-CE2 4.41Å; H136-F176 HydrophobicContact CB-CD2 3.84Å; H136-F176 HydrophobicContact CB-CE2 3.93Å; H136-F176 AromaticContact CG-CD2 3.75Å; H136-F176 AromaticContact ND1-CD2 3.97Å; T174-F176 PolarHBondContact O-N 2.78Å; F176-T183 CarbonylContact O-C 3.52Å; F176-T183 WeakPolarHBondContact O-CA 3.46Å; F176-T183 WeakPolarHBondContact O-CB 3.38Å; F176-A184 WeakPolarHBondContact CB-O 3.28Å; F176-A184 PolarHBondContact N-O 3.32Å; F176-A184 PolarHBondContact O-N 2.82Å; F176-I186 HydrophobicContact CB-CB 4.4Å; F176-I186 HydrophobicContact CB-CD1 4.45Å; F176-I186 HydrophobicContact CB-CG1 4.22Å; F176-I186 HydrophobicContact CB-CG2 3.42Å; F176-I186 VanDerWaalsContact CB-CG2 3.42Å; F176-I186 HydrophobicContact CD2-CG2 4.46Å; F176-I186 HydrophobicContact CG-CG2 3.93Å |
| 177 | R | 86.8 | Confident | 86.1 | Confident | 185 Ų | 185 | 78.1 Ų | 78.1 | 70% | 0.698 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 124.1 | 174.6 | -176.2 | 178 | 73.3 | 160 | 3.1 | 109.3 | E182 T183 | R177-E182 CarbonylContact C-O 3.42Å; R177-E182 WeakPolarHBondContact CA-O 3.43Å; R177-T183 HydrophobicContact CB-CG2 4.03Å; R177-T183 HydrophobicContact CG-CG2 3.9Å |
| 178 | S | 83.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.021 | 37% | 0.365 | C | S | . | . | trans | -77.9 | 162.6 | 171.8 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | S127 E180 G181 E182 | S127-S178 VanDerWaalsContact OG-CB 3.28Å; S127-S178 WeakPolarHBondContact OG-CB 3.29Å; S127-S178 PolarHBondContact OG-OG 3.35Å; S178-E180 PolarHBondContact O-N 2.67Å; S178-E180 PolarHBondContact OG-N 3.37Å; S178-G181 PolarHBondContact O-N 2.71Å; S178-E182 PolarHBondContact N-O 2.75Å; S178-E182 WeakPolarHBondContact OG-CB 3.49Å; S178-E182 PolarHBondContact OG-N 2.98Å; S178-E182 PolarHBondContact OG-O 3.24Å | ||
| 179 | H | 79 | Confident | 86.1 | Confident | 124 Ų | 124 | 82.7 Ų | 82.7 | 57% | 0.574 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -25 | 172.6 | 70.6 | -73.9 | 0 | 0 | 0 | 113.7 | S127 D132 G181 | S127-H179 PolarHBondContact O-CE1 3.03Å; D132-H179 PolarHBondContact OD1-N 3.03Å; D132-H179 IonicContact OD2-CG 2.67Å; D132-H179 PolarHBondContact OD2-N 3.31Å; D132-H179 IonicContact OD2-ND1 3.58Å; D132-H179 PolarHBondContact OD2-ND1 3.01Å; H179-G181 PolarHBondContact O-N 3.08Å |
| 180 | E | 78.4 | Confident | 85.9 | Confident | 134 Ų | 134 | 77.1 Ų | 77.1 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 0 | 174.7 | -58.2 | -162.4 | 140.5 | 0 | 0 | 113 | S127 S178 E182 | S127-E180 WeakPolarHBondContact CB-OE2 3.25Å; S178-E180 PolarHBondContact O-N 2.67Å; S178-E180 PolarHBondContact OG-N 3.37Å; E180-E182 VanDerWaalsContact C-N 3.34Å |
| 181 | G | 80.1 | Confident | 85 | Confident | 50 Ų | 50 | 74.1 Ų | 74.1 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 85.6 | 1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S178 H179 | S178-G181 PolarHBondContact O-N 2.71Å; H179-G181 PolarHBondContact O-N 3.08Å |
| 182 | E | 82.5 | Confident | 83.4 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 44% | 0.435 | 38% | 0.377 | S | S | . | . | trans | -68.5 | 141.2 | 171.3 | -60.7 | -172.4 | 153.1 | 0 | 0 | 110 | P125 S127 R177 S178 E180 | P125-E182 HydrophobicContact CB-CB 4.05Å; S127-E182 WeakPolarHBondContact CB-OE2 3.28Å; S127-E182 WeakPolarHBondContact OG-CB 2.85Å; S127-E182 WeakPolarHBondContact OG-CG 3.37Å; S127-E182 PolarHBondContact OG-OE2 2.73Å; R177-E182 CarbonylContact C-O 3.42Å; R177-E182 WeakPolarHBondContact CA-O 3.43Å; S178-E182 PolarHBondContact N-O 2.75Å; S178-E182 WeakPolarHBondContact OG-CB 3.49Å; S178-E182 PolarHBondContact OG-N 2.98Å; S178-E182 PolarHBondContact OG-O 3.24Å; E180-E182 VanDerWaalsContact C-N 3.34Å | ||
| 183 | T | 87.6 | Confident | 81.4 | Confident | 71 Ų | 71 | 79.5 Ų | 79.5 | 44% | 0.436 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.9 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | K175 F176 R177 | K175-T183 WeakPolarHBondContact CE-OG1 3.18Å; F176-T183 CarbonylContact O-C 3.52Å; F176-T183 WeakPolarHBondContact O-CA 3.46Å; F176-T183 WeakPolarHBondContact O-CB 3.38Å; R177-T183 HydrophobicContact CB-CG2 4.03Å; R177-T183 HydrophobicContact CG-CG2 3.9Å |
| 184 | A | 87.9 | Confident | 79.1 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 157.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G123 P125 F176 | G123-A184 VanDerWaalsContact O-CB 3.32Å; G123-A184 WeakPolarHBondContact O-CB 3.21Å; P125-A184 HydrophobicContact CB-CB 4.32Å; P125-A184 HydrophobicContact CG-CB 4.43Å; F176-A184 WeakPolarHBondContact CB-O 3.28Å; F176-A184 PolarHBondContact N-O 3.32Å; F176-A184 PolarHBondContact O-N 2.82Å |
| 185 | Y | 89.9 | Confident | 76.5 | Confident | 162 Ų | 162 | 89 Ų | 89 | 64% | 0.635 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.2 | 172.3 | -69.7 | -83.1 | 0 | 0 | 0 | 109.4 | T174 K175 | T174-Y185 WeakPolarHBondContact O-CA 3.46Å; K175-Y185 HydrophobicContact CB-CD1 4.4Å; K175-Y185 HydrophobicContact CB-CE1 4.13Å |
| 186 | I | 90.9 | Very high | 74.1 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 147.3 | 179.7 | 59.1 | 163.2 | 0 | 0 | 0 | 110.9 | V121 S122 L124 N173 T174 F176 V188 | V121-I186 HydrophobicContact CG1-CB 3.85Å; V121-I186 HydrophobicContact CG1-CD1 4.03Å; V121-I186 HydrophobicContact CG1-CG2 4.14Å; S122-I186 CarbonylContact O-C 3.54Å; S122-I186 WeakPolarHBondContact O-CA 3.34Å; L124-I186 HydrophobicContact CD2-CG2 3.53Å; L124-I186 HydrophobicContact CG-CG2 4.23Å; N173-I186 WeakPolarHBondContact CA-O 3.49Å; N173-I186 PolarHBondContact N-O 2.91Å; T174-I186 WeakPolarHBondContact O-CG1 3.35Å; T174-I186 PolarHBondContact O-N 2.91Å; F176-I186 HydrophobicContact CB-CB 4.4Å; F176-I186 HydrophobicContact CB-CD1 4.45Å; F176-I186 HydrophobicContact CB-CG1 4.22Å; F176-I186 HydrophobicContact CB-CG2 3.42Å; F176-I186 VanDerWaalsContact CB-CG2 3.42Å; F176-I186 HydrophobicContact CD2-CG2 4.46Å; F176-I186 HydrophobicContact CG-CG2 3.93Å; I186-V188 HydrophobicContact CD1-CG2 4.23Å |
| 187 | R | 88.6 | Confident | 71.5 | Confident | 140 Ų | 140 | 94.3 Ų | 94.3 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 128.5 | 171.7 | -73.3 | -180 | 176.2 | 175.7 | -0.4 | 109.8 | V121 S122 D172 | V121-R187 CarbonylContact C-O 3.52Å; V121-R187 VanDerWaalsContact CA-O 3.29Å; V121-R187 WeakPolarHBondContact CA-O 3.44Å; S122-R187 PolarHBondContact N-O 2.79Å; S122-R187 PolarHBondContact O-N 2.83Å; S122-R187 PolarHBondContact OG-O 2.81Å; D172-R187 VanDerWaalsContact OD1-CA 3.24Å; D172-R187 WeakPolarHBondContact OD1-CA 3.38Å |
| 188 | V | 88.7 | Confident | 69.2 | Low | 3 Ų | 3 | 96 Ų | 96 | 2% | 0.018 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.6 | -176.4 | -173.5 | 0 | 0 | 0 | 0 | 108.1 | V119 V121 M137 V168 L171 D172 I186 | V119-V188 HydrophobicContact CB-CG1 3.91Å; V119-V188 HydrophobicContact CG1-CG1 4.29Å; V119-V188 HydrophobicContact CG2-CG1 3.89Å; V121-V188 HydrophobicContact CG2-CG1 4.47Å; V121-V188 HydrophobicContact CG2-CG2 4.27Å; M137-V188 HydrophobicContact CE-CG1 3.95Å; M137-V188 HydrophobicContact CE-CG2 4.35Å; M137-V188 HydrophobicContact SD-CG2 4.24Å; V168-V188 HydrophobicContact CG2-CG1 3.94Å; L171-V188 HydrophobicContact CB-CG2 4.14Å; D172-V188 HydrophobicContact CB-CB 4.5Å; D172-V188 PolarHBondContact OD1-N 3.17Å; I186-V188 HydrophobicContact CD1-CG2 4.23Å |
| 189 | K | 86.3 | Confident | 67.2 | Low | 126 Ų | 126 | 98.4 Ų | 98.4 | 55% | 0.548 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.4 | 178.7 | -65.8 | -175.9 | 178.2 | -179 | 0 | 109.8 | V119 V120 D191 | V119-K189 CarbonylContact C-O 3.56Å; V119-K189 VanDerWaalsContact CA-O 3.31Å; V119-K189 WeakPolarHBondContact CA-O 3.24Å; V119-K189 WeakPolarHBondContact CB-O 3.15Å; V120-K189 PolarHBondContact N-O 2.91Å; V120-K189 PolarHBondContact O-N 3.1Å; K189-D191 PolarHBondContact O-N 3.11Å |
| 190 | L | 80.1 | Confident | 65 | Low | 92 Ų | 92 | 102.1 Ų | 102.1 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 129.5 | 167.8 | -67.4 | 170.1 | 0 | 0 | 0 | 108.6 | M164 V168 G192 | M164-L190 HydrophobicContact CE-CD2 3.51Å; M164-L190 HydrophobicContact CG-CD2 3.86Å; M164-L190 HydrophobicContact SD-CD2 3.57Å; M164-L190 VanDerWaalsContact SD-CD2 3.57Å; V168-L190 HydrophobicContact CG1-CG 4.38Å; V168-L190 HydrophobicContact CG2-CD2 3.72Å; V168-L190 HydrophobicContact CG2-CG 3.88Å; L190-G192 PolarHBondContact O-N 3.25Å |
| 191 | D | 68.9 | Low | 63 | Low | 51 Ų | 51 | 101.4 Ų | 101.4 | 27% | 0.273 | 55% | 0.545 | S | S | . | . | trans | -74.3 | 82.1 | 160.9 | -166.7 | 49.6 | 0 | 0 | 0 | 105.2 | R118 V120 K189 | R118-D191 HydrophobicContact CB-CB 4.06Å; R118-D191 WeakPolarHBondContact CD-OD2 3.39Å; R118-D191 HydrophobicContact CG-CB 3.96Å; R118-D191 IonicContact CZ-OD2 3.85Å; R118-D191 IonicContact NE-OD2 3.29Å; R118-D191 IonicContact NH1-OD1 2.67Å; R118-D191 IonicContact NH1-OD2 3.82Å; R118-D191 PolarHBondContact NH1-OD2 2.77Å; R118-D191 WeakPolarHBondContact O-CB 3.44Å; R118-D191 PolarHBondContact O-N 2.65Å; V120-D191 HydrophobicContact CG2-CB 3.83Å; K189-D191 PolarHBondContact O-N 3.11Å | ||
| 192 | G | 52.8 | Low | 60.9 | Low | 42 Ų | 42 | 107.9 Ų | 107.9 | 43% | 0.433 | 55% | 0.554 | S | S | . | * | trans | -51.7 | 150.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L190 R194 | L190-G192 PolarHBondContact O-N 3.25Å; G192-R194 PolarHBondContact O-N 3.4Å | ||
| 193 | P | 44.3 | Very low | 58.7 | Low | 128 Ų | 128 | 108.9 Ų | 108.9 | 83% | 0.831 | 57% | 0.571 | S | S | * | * | trans | -52.8 | 107.8 | -177 | 22.5 | -32.2 | 0 | 0 | 0 | 106.9 | S195 | P193-S195 PolarHBondContact O-N 2.85Š| ||
| 194 | R | 41.1 | Very low | 56.2 | Low | 219 Ų | 219 | 116.2 Ų | 116.2 | 83% | 0.826 | 59% | 0.591 | S | S | * | * | trans | -62.9 | 97.1 | 176.2 | -156.4 | 178.2 | -167.3 | -176.6 | 6.6 | 102.8 | G192 | G192-R194 PolarHBondContact O-N 3.4Š| ||
| 195 | S | 32.8 | Very low | 53.7 | Low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 62% | 0.623 | S | S | * | * | trans | -43.3 | 125.6 | 176.2 | -54.8 | 0 | 0 | 0 | 0 | 105.4 | P193 S197 | P193-S195 PolarHBondContact O-N 2.85Å; S195-S197 PolarHBondContact O-N 3.41Å | ||
| 196 | P | 39.1 | Very low | 51.2 | Low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | trans | -59.1 | 95.7 | 179.3 | -21.1 | 30.9 | 0 | 0 | 0 | 106.7 | Y198 | P196-Y198 PolarHBondContact O-N 3.33Š| ||
| 197 | S | 33.1 | Very low | 48.5 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | trans | -73.8 | 73.5 | 170.3 | -177 | 0 | 0 | 0 | 0 | 105.4 | S195 G199 | S195-S197 PolarHBondContact O-N 3.41Å; S197-G199 PolarHBondContact O-N 3.39Å | ||
| 198 | Y | 38.5 | Very low | 45.9 | Very low | 221 Ų | 221 | 128.3 Ų | 128.3 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | -44.8 | 120.7 | 147.9 | 120.1 | -88.8 | 0 | 0 | 0 | 105.7 | P196 | P196-Y198 PolarHBondContact O-N 3.33Š| ||
| 199 | G | 40 | Very low | 43.2 | Very low | 53 Ų | 53 | 140.3 Ų | 140.3 | 55% | 0.546 | 74% | 0.739 | S | S | . | * | trans | 143.5 | 47.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | S197 | S197-G199 PolarHBondContact O-N 3.39Š| ||
| 200 | R | 32.7 | Very low | 40.7 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | trans | -136.6 | 75.9 | 149 | -149.4 | 171.2 | -161.9 | -150.4 | 4.6 | 110.4 | R202 | R200-R202 PolarHBondContact O-N 3.21Š| ||
| 201 | S | 38.2 | Very low | 38.5 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | trans | -51 | 97.3 | 164 | 1.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | R | 33.9 | Very low | 36.7 | Very low | 186 Ų | 186 | 151.1 Ų | 151.1 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | trans | -107.1 | 89.4 | 159.8 | -87.3 | -179.2 | 171 | 171.8 | -4.3 | 107.2 | R200 R204 | R200-R202 PolarHBondContact O-N 3.21Å; R202-R204 PolarHBondContact O-N 3.34Å | ||
| 203 | S | 37.6 | Very low | 35.8 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -52.5 | 113.5 | 166.5 | 35.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 204 | R | 35.3 | Very low | 35.2 | Very low | 224 Ų | 224 | 160.4 Ų | 160.4 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | -135.3 | 100.1 | 163.2 | -74.4 | -167.4 | 176 | -178.2 | -1.2 | 109.7 | R202 | R202-R204 PolarHBondContact O-N 3.34Š| ||
| 205 | S | 34.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 161.9 Ų | 161.9 | 88% | 0.881 | 83% | 0.833 | S | S | * | * | trans | -48.3 | 126.5 | 170.5 | -28.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 206 | R | 37.1 | Very low | 34.8 | Very low | 250 Ų | 250 | 163.2 Ų | 163.2 | 94% | 0.943 | 84% | 0.842 | S | S | * | * | trans | -108.5 | 105.9 | 171.3 | -72.6 | -172.6 | 178 | -178.7 | 0.2 | 109.6 | ||||
| 207 | G | 34.4 | Very low | 34.4 | Very low | 83 Ų | 83 | 162.2 Ų | 162.2 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | -76.3 | 127.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 208 | S | 34.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 162.6 Ų | 162.6 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -88.5 | 119.2 | 178.2 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 209 | R | 32.6 | Very low | 34.1 | Very low | 255 Ų | 255 | 163.4 Ų | 163.4 | 96% | 0.962 | 85% | 0.848 | S | S | * | * | trans | -112.3 | 108.8 | 161.7 | -87.2 | 179.5 | 173.8 | 161.6 | -1.6 | 109 | ||||
| 210 | S | 33.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 165.8 Ų | 165.8 | 85% | 0.853 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 127.9 | 175 | 48.7 | 0 | 0 | 0 | 0 | 111.3 | ||
| 211 | R | 32.6 | Very low | 33.4 | Very low | 249 Ų | 249 | 166.9 Ų | 166.9 | 94% | 0.94 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 125.3 | 166.3 | -85.6 | 179.8 | 172.6 | 163.4 | -3 | 109.6 | ||
| 212 | S | 31.4 | Very low | 33 | Very low | 124 Ų | 124 | 166.7 Ų | 166.7 | 87% | 0.867 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.5 | -176.7 | 43.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 213 | R | 33 | Very low | 32.8 | Very low | 247 Ų | 247 | 164.7 Ų | 164.7 | 93% | 0.932 | 86% | 0.863 | S | S | * | * | trans | -107 | 128.8 | 163.3 | -85.5 | -179.9 | 172 | 164.7 | -2.6 | 109.5 | ||||
| 214 | S | 32 | Very low | 32.5 | Very low | 118 Ų | 118 | 163.1 Ų | 163.1 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | -74.2 | 132.8 | 175.7 | 38.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 215 | R | 33.5 | Very low | 32.4 | Very low | 250 Ų | 250 | 164.4 Ų | 164.4 | 94% | 0.943 | 86% | 0.856 | S | S | * | * | trans | -144.9 | 138 | 153.5 | -75.1 | -165 | 173.5 | 165.7 | -3.8 | 110.4 | ||||
| 216 | S | 31.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 161.7 Ų | 161.7 | 88% | 0.881 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 145.6 | -168.2 | 27.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 217 | A | 31.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 162 Ų | 162 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 126.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 218 | S | 31 | Very low | 31.9 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -95 | 124.4 | 165.3 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | ||
| 219 | R | 32.9 | Very low | 31.9 | Very low | 238 Ų | 238 | 168 Ų | 168 | 90% | 0.898 | 85% | 0.853 | S | S | * | * | trans | -19.4 | 130.5 | 164 | -62.3 | 167.6 | 174.2 | 170.1 | -3.3 | 116.2 | ||||
| 220 | S | 29.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 158.9 Ų | 158.9 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | 159.3 | 139.2 | 97.4 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 221 | R | 29.9 | Very low | 31.8 | Very low | 225 Ų | 225 | 158.7 Ų | 158.7 | 85% | 0.849 | 84% | 0.837 | S | S | * | * | trans | 78.8 | 115.7 | 143.6 | -72.1 | 168.6 | -179.3 | -178.6 | 0.4 | 122.2 | ||||
| 222 | S | 30.2 | Very low | 32.3 | Very low | 116 Ų | 116 | 152.8 Ų | 152.8 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | 73.5 | 144.8 | 135.6 | 72.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 223 | N | 29.8 | Very low | 32.4 | Very low | 143 Ų | 143 | 158.5 Ų | 158.5 | 77% | 0.765 | 83% | 0.833 | S | S | * | * | cis | -160.7 | 145.5 | 3.3 | -158.3 | -4.9 | 0 | 0 | 0 | 108.3 | ||||
| 224 | S | 31.8 | Very low | 32.1 | Very low | 81 Ų | 81 | 157.5 Ų | 157.5 | 57% | 0.566 | 83% | 0.831 | S | S | * | * | trans | 29.3 | 128.7 | 150.9 | 49.8 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 225 | R | 33.2 | Very low | 32.2 | Very low | 251 Ų | 251 | 156.1 Ų | 156.1 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | 158.7 | 115.1 | 127.6 | -83.5 | 161.5 | -168.4 | -158.9 | 4.7 | 105.6 | |||||
| 226 | G | 31.4 | Very low | 32.7 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | cis | 132.1 | 108 | 26.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 227 | R | 32.7 | Very low | 32.8 | Very low | 256 Ų | 256 | 153.7 Ų | 153.7 | 97% | 0.966 | 81% | 0.805 | S | S | * | * | trans | 61.6 | 110 | 157.2 | -61.6 | -179.2 | 173.3 | -138.1 | -2.3 | 117.6 | ||||
| 228 | G | 31.2 | Very low | 32.7 | Very low | 79 Ų | 79 | 156.5 Ų | 156.5 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | 119.8 | 153.2 | 97.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 229 | R | 33.3 | Very low | 33 | Very low | 252 Ų | 252 | 155.3 Ų | 155.3 | 95% | 0.951 | 79% | 0.792 | S | S | * | * | cis | -175.2 | 139.8 | 20.3 | -173.2 | -179.5 | -171.2 | -149.6 | 3.2 | 106.4 | ||||
| 230 | G | 31 | Very low | 33.3 | Very low | 64 Ų | 64 | 155 Ų | 155 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | trans | 73.4 | 105.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 231 | S | 35.1 | Very low | 33.6 | Very low | 118 Ų | 118 | 155.5 Ų | 155.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | 34.8 | 161.7 | 111 | -51.2 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 232 | P | 43 | Very low | 33.9 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | cis | -135.2 | 165.6 | -24 | 26.3 | -4.1 | 0 | 0 | 0 | 114.3 | ||||
| 233 | R | 32.3 | Very low | 34.3 | Very low | 244 Ų | 244 | 156.9 Ų | 156.9 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -61.7 | 137 | 167.2 | -71.3 | 173.1 | 166.9 | -142.6 | -3.7 | 112.1 | ||||
| 234 | Y | 28.1 | Very low | 34.7 | Very low | 227 Ų | 227 | 161.1 Ų | 161.1 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | trans | -91.4 | 126.7 | 155.5 | -173.8 | -101.2 | 0 | 0 | 0 | 109 | ||||
| 235 | S | 32.2 | Very low | 35.1 | Very low | 89 Ų | 89 | 166.5 Ų | 166.5 | 62% | 0.622 | 84% | 0.843 | S | S | * | * | trans | -75.6 | -158 | 176.3 | -41.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 236 | P | 45.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 162.3 Ų | 162.3 | 60% | 0.604 | 84% | 0.838 | S | S | * | * | cis | -136.5 | -169.2 | -23.8 | 22.9 | 2.4 | 0 | 0 | 0 | 112.1 | ||||
| 237 | R | 32.5 | Very low | 35.4 | Very low | 232 Ų | 232 | 167.2 Ų | 167.2 | 88% | 0.875 | 84% | 0.844 | S | S | * | * | trans | 89.9 | 140.5 | 153.7 | -54.9 | -169.8 | -178 | -117.6 | -0.8 | 114.4 | ||||
| 238 | H | 31.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 162.2 Ų | 162.2 | 75% | 0.75 | 84% | 0.837 | S | S | * | * | cis | 176.9 | 129.8 | -3.2 | 177.4 | 78.5 | 0 | 0 | 0 | 101.1 | ||||
| 239 | S | 36 | Very low | 35.8 | Very low | 95 Ų | 95 | 167.1 Ų | 167.1 | 66% | 0.664 | 84% | 0.839 | S | S | * | * | 173.8 | 126.9 | 82 | 39.4 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 240 | R | 38.8 | Very low | 36 | Very low | 230 Ų | 230 | 161.8 Ų | 161.8 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | 25.8 | 121.4 | 98.2 | -68.8 | -177.9 | 174.9 | 176.8 | -2.2 | 112.3 | |||||
| 241 | S | 36.7 | Very low | 36.3 | Very low | 115 Ų | 115 | 168.3 Ų | 168.3 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | cis | -171.3 | 148.3 | 47 | 38.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 242 | R | 36.2 | Very low | 36.4 | Very low | 249 Ų | 249 | 171.9 Ų | 171.9 | 94% | 0.94 | 84% | 0.844 | S | S | * | * | trans | -123.8 | 119.8 | 158.8 | -100.6 | -176.8 | 171.1 | -179.5 | -3.8 | 107.6 | ||||
| 243 | S | 37.7 | Very low | 35.9 | Very low | 120 Ų | 120 | 175.6 Ų | 175.6 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | trans | -65.6 | 142.4 | 166.2 | -40.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 244 | R | 39.3 | Very low | 36.2 | Very low | 233 Ų | 233 | 169.9 Ų | 169.9 | 88% | 0.879 | 84% | 0.841 | S | S | * | * | trans | -75.7 | 155.8 | 173.2 | -84.7 | 175.4 | 156.8 | -177.4 | -7.4 | 111.1 | ||||
| 245 | S | 40.2 | Very low | 36.9 | Very low | 194 Ų | 194 | 164.7 Ų | 164.7 | 100% | 1.357 | 84% | 0.837 | S | S | * | * | trans | 55.9 | 0 | 139.8 | -58.3 | 0 | 0 | 0 | 0 | 119 |
Retrieved 245 of 245 residues in 634.3 ms
(Link to these results)