| 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 | 36.6 | Very low | 64.9 | Low | 245 Ų | 245 | 125.5 Ų | 125.5 | 100% | 1.207 | 65% | 0.65 | S | S | * | * | 0 | 115 | 0 | -74.8 | 179.5 | 167.4 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 3.02Š| |||
| 2 | L | 32.4 | Very low | 67.6 | Low | 172 Ų | 172 | 117.9 Ų | 117.9 | 90% | 0.901 | 61% | 0.614 | S | S | * | * | trans | -68.5 | 113.6 | 176 | -74.9 | 161.4 | 0 | 0 | 0 | 107.9 | V4 | L2-V4 PolarHBondContact O-N 2.97Š| ||
| 3 | K | 38.2 | Very low | 69.8 | Low | 206 Ų | 206 | 108.8 Ų | 108.8 | 90% | 0.896 | 57% | 0.567 | S | S | * | * | trans | -70.6 | 97.7 | 172.2 | -149.4 | 177.8 | -172.2 | -177.4 | 0 | 105.5 | M1 S5 | M1-K3 PolarHBondContact O-N 3.02Å; K3-S5 PolarHBondContact O-N 2.73Å | ||
| 4 | V | 44.6 | Very low | 71.6 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 79% | 0.788 | 54% | 0.537 | S | S | * | . | trans | -61.9 | 110.7 | 170.7 | 178.4 | 0 | 0 | 0 | 0 | 105.8 | L2 K6 | L2-V4 PolarHBondContact O-N 2.97Å; V4-K6 PolarHBondContact O-N 3.44Å | ||
| 5 | S | 50.4 | Low | 73.3 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 73% | 0.727 | 50% | 0.501 | S | S | * | . | trans | -64.4 | 115.4 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 107.9 | K3 S7 | K3-S5 PolarHBondContact O-N 2.73Å; S5-S7 PolarHBondContact O-N 3.45Å | ||
| 6 | K | 65.2 | Low | 74.6 | Confident | 102 Ų | 102 | 92.9 Ų | 92.9 | 44% | 0.443 | 49% | 0.485 | S | S | . | . | trans | -58.4 | 128.1 | 167.3 | -75.2 | -178.9 | 168.9 | -173.9 | 0 | 107.6 | V4 E8 C49 | V4-K6 PolarHBondContact O-N 3.44Å; K6-E8 PolarHBondContact O-N 3.2Å; K6-C49 PolarHBondContact NZ-O 2.86Å | ||
| 7 | S | 75.4 | Confident | 75.8 | Confident | 53 Ų | 53 | 87.7 Ų | 87.7 | 37% | 0.371 | 46% | 0.457 | S | S | . | . | trans | -60.7 | 130.3 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | S5 M9 Q11 | S5-S7 PolarHBondContact O-N 3.45Å; S7-M9 PolarHBondContact OG-N 3.41Å; S7-M9 PolarHBondContact OG-O 2.97Å; S7-Q11 PolarHBondContact OG-NE2 3.3Å | ||
| 8 | E | 87.2 | Confident | 76.5 | Confident | 137 Ų | 137 | 88.1 Ų | 88.1 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -84.6 | -0.6 | 174.7 | -59.3 | -173.1 | 161.6 | 0 | 0 | 112 | K6 | K6-E8 PolarHBondContact O-N 3.2Š|
| 9 | M | 92.2 | Very high | 77.3 | Confident | 137 Ų | 137 | 88.2 Ų | 88.2 | 68% | 0.675 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -109.8 | 139.4 | 176.5 | -67 | -173.3 | 67.9 | 0 | 0 | 110.6 | S7 Q11 | S7-M9 PolarHBondContact OG-N 3.41Å; S7-M9 PolarHBondContact OG-O 2.97Å; M9-Q11 PolarHBondContact O-N 3.36Å; M9-Q11 PolarHBondContact O-NE2 2.96Å |
| 10 | P | 95.8 | Very high | 78 | Confident | 33 Ų | 33 | 90.2 Ų | 90.2 | 21% | 0.214 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -59 | 134.3 | 172.8 | -20.5 | 32.1 | 0 | 0 | 0 | 110.9 | L46 I47 I92 M93 | P10-L46 CarbonylContact C-O 3.55Å; P10-L46 WeakPolarHBondContact CA-O 3.35Å; P10-I47 HydrophobicContact CB-CB 4.39Å; P10-I47 HydrophobicContact CG-CB 4.44Å; P10-I47 HydrophobicContact CG-CD1 4.07Å; P10-I92 HydrophobicContact CB-CD1 4.46Å; P10-I92 HydrophobicContact CB-CG2 4.16Å; P10-I92 HydrophobicContact CG-CG2 3.65Å; P10-M93 VanDerWaalsContact CD-SD 3.57Å; P10-M93 HydrophobicContact CG-CG 4.17Å; P10-M93 HydrophobicContact CG-SD 3.52Å; P10-M93 VanDerWaalsContact CG-SD 3.52Å |
| 11 | Q | 95.9 | Very high | 78.8 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 29% | 0.29 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.3 | -178.7 | -60.1 | -57.8 | -67 | 0 | 0 | 109.7 | S7 M9 S45 L46 M156 | S7-Q11 PolarHBondContact OG-NE2 3.3Å; M9-Q11 PolarHBondContact O-N 3.36Å; M9-Q11 PolarHBondContact O-NE2 2.96Å; Q11-S45 CarbonylContact O-C 3.56Å; Q11-S45 WeakPolarHBondContact O-CA 3.49Å; Q11-L46 PolarHBondContact N-O 3.15Å; Q11-L46 PolarHBondContact O-N 3.31Å; Q11-M156 HydrophobicContact CB-CE 3.75Å; Q11-M156 HydrophobicContact CG-CE 4.19Å |
| 12 | P | 97.1 | Very high | 81.6 | Confident | 34 Ų | 34 | 75 Ų | 75 | 22% | 0.221 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.7 | 177.1 | 29.5 | -31.6 | 0 | 0 | 0 | 110.8 | T43 I44 L157 | P12-T43 HydrophobicContact CB-CG2 3.62Å; P12-I44 CarbonylContact C-O 3.53Å; P12-I44 WeakPolarHBondContact CA-O 3.32Å; P12-L157 HydrophobicContact CB-CB 4.36Å; P12-L157 HydrophobicContact CG-CB 4.35Å; P12-L157 WeakPolarHBondContact CG-O 3.36Å; P12-L157 PolarHBondContact O-N 3.26Å |
| 13 | V | 96.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.7 | 178.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | I15 I44 L46 T155 M156 | V13-I15 HydrophobicContact CG2-CD1 4.26Å; V13-I15 HydrophobicContact CG2-CG1 3.91Å; V13-I44 HydrophobicContact CG2-CB 4.01Å; V13-I44 HydrophobicContact CG2-CG2 4.46Å; V13-I44 WeakPolarHBondContact CG2-O 3.45Å; V13-I44 PolarHBondContact N-O 3.34Å; V13-I44 PolarHBondContact O-N 3.38Å; V13-L46 HydrophobicContact CG1-CD1 3.89Å; V13-L46 HydrophobicContact CG1-CG 4.24Å; V13-L46 HydrophobicContact CG2-CD1 3.84Å; V13-L46 HydrophobicContact CG2-CD2 4.24Å; V13-L46 HydrophobicContact CG2-CG 3.84Å; V13-T155 CarbonylContact C-O 3.59Å; V13-T155 VanDerWaalsContact CA-O 3.3Å; V13-T155 WeakPolarHBondContact CA-O 3.45Å; V13-M156 HydrophobicContact CG1-CE 4.36Å; V13-M156 HydrophobicContact CG1-SD 3.54Å; V13-M156 VanDerWaalsContact CG1-SD 3.54Å |
| 14 | S | 94.9 | Very high | 87.3 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 136.1 | 160 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | L154 T155 | S14-L154 WeakPolarHBondContact O-CA 3.37Å; S14-T155 PolarHBondContact N-O 3.25Å; S14-T155 PolarHBondContact O-N 2.75Å |
| 15 | I | 96.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134.3 | 177.7 | -61.7 | -176.7 | 0 | 0 | 0 | 109.8 | V13 W23 I44 F118 F152 L154 | V13-I15 HydrophobicContact CG2-CD1 4.26Å; V13-I15 HydrophobicContact CG2-CG1 3.91Å; I15-W23 HydrophobicContact CB-CD2 4.22Å; I15-W23 HydrophobicContact CB-CE3 4.43Å; I15-W23 HydrophobicContact CD1-CE3 4.07Å; I15-W23 HydrophobicContact CD1-CH2 3.9Å; I15-W23 HydrophobicContact CD1-CZ2 4.45Å; I15-W23 HydrophobicContact CD1-CZ3 3.69Å; I15-W23 HydrophobicContact CG2-CD2 3.95Å; I15-W23 HydrophobicContact CG2-CE3 4.43Å; I15-W23 HydrophobicContact CG2-CG 4.45Å; I15-W23 HydrophobicContact CG2-CH2 4.27Å; I15-W23 HydrophobicContact CG2-CZ2 3.77Å; I15-I44 HydrophobicContact CD1-CB 4.03Å; I15-I44 HydrophobicContact CD1-CG1 3.88Å; I15-I44 HydrophobicContact CD1-CG2 4.11Å; I15-I44 HydrophobicContact CG1-CB 4.47Å; I15-I44 HydrophobicContact CG1-CG1 4.31Å; I15-F118 HydrophobicContact CD1-CE2 4.38Å; I15-F118 HydrophobicContact CD1-CZ 4.27Å; I15-F152 HydrophobicContact CG2-CB 3.98Å; I15-F152 HydrophobicContact CG2-CD1 3.92Å; I15-F152 HydrophobicContact CG2-CG 4.13Å; I15-L154 HydrophobicContact CG1-CD1 4.34Å; I15-L154 HydrophobicContact CG1-CG 4.28Å |
| 16 | Q | 95.1 | Very high | 91.8 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.5 | 169.6 | 68 | -177.6 | 1.3 | 0 | 0 | 110.7 | R21 V22 F152 G153 | Q16-R21 CarbonylContact C-O 3.6Å; Q16-R21 WeakPolarHBondContact CA-O 3.42Å; Q16-V22 HydrophobicContact CB-CG1 4.09Å; Q16-F152 CarbonylContact O-C 3.58Å; Q16-F152 VanDerWaalsContact O-CA 3.31Å; Q16-F152 WeakPolarHBondContact O-CA 3.3Å; Q16-G153 PolarHBondContact N-O 3.34Å; Q16-G153 PolarHBondContact O-N 3.45Å |
| 17 | D | 93.6 | Very high | 93 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 175.2 | 172.8 | 79.5 | 0.7 | 0 | 0 | 0 | 112.5 | N19 H20 R21 T149 F152 | D17-N19 PolarHBondContact O-N 3.05Å; D17-N19 VanDerWaalsContact OD1-C 3.26Å; D17-N19 VanDerWaalsContact OD1-CA 3.31Å; D17-N19 WeakPolarHBondContact OD1-CA 3.34Å; D17-N19 WeakPolarHBondContact OD1-CB 3.31Å; D17-N19 PolarHBondContact OD1-N 2.99Å; D17-H20 PolarHBondContact O-N 3.43Å; D17-H20 VanDerWaalsContact O-N 3.09Å; D17-H20 PolarHBondContact OD1-N 2.95Å; D17-R21 PolarHBondContact N-O 3.21Å; D17-R21 WeakPolarHBondContact OD1-CB 3.21Å; D17-R21 PolarHBondContact OD1-N 2.98Å; D17-R21 IonicContact OD1-NE 3.6Å; D17-R21 IonicContact OD2-CZ 3.17Å; D17-R21 IonicContact OD2-NE 3.3Å; D17-R21 PolarHBondContact OD2-NE 3.42Å; D17-R21 IonicContact OD2-NH2 2.74Å; D17-R21 PolarHBondContact OD2-NH2 2.91Å; D17-T149 HydrophobicContact CB-CG2 3.82Å; D17-F152 HydrophobicContact CB-CD1 3.96Å; D17-F152 HydrophobicContact CB-CE1 4.04Å |
| 18 | I | 89.6 | Confident | 93.7 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -15.9 | 178.6 | 63 | 170.9 | 0 | 0 | 0 | 114 | H20 T149 D151 | I18-H20 VanDerWaalsContact C-N 3.29Å; I18-T149 HydrophobicContact CD1-CG2 4.24Å; I18-T149 HydrophobicContact CG1-CG2 3.69Å; I18-D151 HydrophobicContact CG2-CB 3.9Å |
| 19 | N | 90.6 | Very high | 93.9 | Very high | 90 Ų | 90 | 58.3 Ų | 58.3 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 15.8 | 176.8 | -64.1 | -43.9 | 0 | 0 | 0 | 111.7 | D17 R21 T149 | D17-N19 PolarHBondContact O-N 3.05Å; D17-N19 VanDerWaalsContact OD1-C 3.26Å; D17-N19 VanDerWaalsContact OD1-CA 3.31Å; D17-N19 WeakPolarHBondContact OD1-CA 3.34Å; D17-N19 WeakPolarHBondContact OD1-CB 3.31Å; D17-N19 PolarHBondContact OD1-N 2.99Å; N19-R21 PolarHBondContact ND2-NH2 2.84Å; N19-R21 PolarHBondContact O-N 3.41Å; N19-T149 PolarHBondContact ND2-OG1 3.28Å |
| 20 | H | 91.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 52.2 Ų | 52.2 | 59% | 0.593 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 59.3 | 29.9 | -179.3 | -53.7 | -69.3 | 0 | 0 | 0 | 113.9 | D17 I18 R35 | D17-H20 PolarHBondContact O-N 3.43Å; D17-H20 VanDerWaalsContact O-N 3.09Å; D17-H20 PolarHBondContact OD1-N 2.95Å; I18-H20 VanDerWaalsContact C-N 3.29Å; H20-R35 WeakPolarHBondContact O-CB 3.42Å; H20-R35 PolarHBondContact O-N 3.45Å |
| 21 | R | 94.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 6% | 0.064 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 135.6 | 172 | -60.9 | 176.9 | -70.9 | -170.7 | 3.6 | 110.1 | Q16 D17 N19 A32 V33 V130 S131 T149 | Q16-R21 CarbonylContact C-O 3.6Å; Q16-R21 WeakPolarHBondContact CA-O 3.42Å; D17-R21 PolarHBondContact N-O 3.21Å; D17-R21 WeakPolarHBondContact OD1-CB 3.21Å; D17-R21 PolarHBondContact OD1-N 2.98Å; D17-R21 IonicContact OD1-NE 3.6Å; D17-R21 IonicContact OD2-CZ 3.17Å; D17-R21 IonicContact OD2-NE 3.3Å; D17-R21 PolarHBondContact OD2-NE 3.42Å; D17-R21 IonicContact OD2-NH2 2.74Å; D17-R21 PolarHBondContact OD2-NH2 2.91Å; N19-R21 PolarHBondContact ND2-NH2 2.84Å; N19-R21 PolarHBondContact O-N 3.41Å; R21-A32 HydrophobicContact CB-CB 4.28Å; R21-V33 CarbonylContact C-O 3.57Å; R21-V33 WeakPolarHBondContact CA-O 3.46Å; R21-V33 WeakPolarHBondContact CB-O 3.48Å; R21-V130 VanDerWaalsContact NH2-CG1 3.34Å; R21-S131 PolarHBondContact NH1-O 2.74Å; R21-T149 PolarHBondContact NH2-OG1 3.31Å |
| 22 | V | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 151.3 | 179.5 | -70 | 0 | 0 | 0 | 0 | 109.9 | Q16 V24 A32 V33 R35 V39 P41 | Q16-V22 HydrophobicContact CB-CG1 4.09Å; V22-V24 HydrophobicContact CG2-CG2 4.48Å; V22-A32 WeakPolarHBondContact O-CA 3.4Å; V22-V33 HydrophobicContact CG2-CG2 4.35Å; V22-V33 PolarHBondContact N-O 2.84Å; V22-V33 PolarHBondContact O-N 3.3Å; V22-R35 HydrophobicContact CG1-CB 4.06Å; V22-R35 HydrophobicContact CG1-CG 4.1Å; V22-R35 HydrophobicContact CG2-CB 4.28Å; V22-V39 HydrophobicContact CG2-CG1 3.85Å; V22-P41 HydrophobicContact CB-CB 4.07Å; V22-P41 HydrophobicContact CB-CG 4.01Å; V22-P41 HydrophobicContact CG1-CG 4.18Å; V22-P41 HydrophobicContact CG2-CB 4.38Å; V22-P41 HydrophobicContact CG2-CG 4.01Å |
| 23 | W | 95.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 135.4 | 176.9 | -62.4 | 2.6 | 0 | 0 | 0 | 110 | I15 L30 I31 P41 V42 I44 L74 I128 L138 F152 | I15-W23 HydrophobicContact CB-CD2 4.22Å; I15-W23 HydrophobicContact CB-CE3 4.43Å; I15-W23 HydrophobicContact CD1-CE3 4.07Å; I15-W23 HydrophobicContact CD1-CH2 3.9Å; I15-W23 HydrophobicContact CD1-CZ2 4.45Å; I15-W23 HydrophobicContact CD1-CZ3 3.69Å; I15-W23 HydrophobicContact CG2-CD2 3.95Å; I15-W23 HydrophobicContact CG2-CE3 4.43Å; I15-W23 HydrophobicContact CG2-CG 4.45Å; I15-W23 HydrophobicContact CG2-CH2 4.27Å; I15-W23 HydrophobicContact CG2-CZ2 3.77Å; W23-L30 HydrophobicContact CE3-CD1 4.12Å; W23-I31 WeakPolarHBondContact CA-O 3.49Å; W23-P41 CarbonylContact O-C 3.56Å; W23-P41 VanDerWaalsContact O-CA 3.29Å; W23-P41 WeakPolarHBondContact O-CA 3.38Å; W23-V42 HydrophobicContact CB-CG2 3.76Å; W23-V42 WeakPolarHBondContact O-CG2 3.36Å; W23-V42 PolarHBondContact O-N 2.91Å; W23-I44 HydrophobicContact CE3-CD1 4.1Å; W23-I44 HydrophobicContact CE3-CG1 4.01Å; W23-I44 HydrophobicContact CZ3-CD1 4.47Å; W23-I44 HydrophobicContact CZ3-CG1 4.31Å; W23-L74 HydrophobicContact CZ3-CD2 4.25Å; W23-I128 HydrophobicContact CH2-CD1 4.38Å; W23-I128 HydrophobicContact CH2-CG2 3.99Å; W23-I128 HydrophobicContact CZ2-CG2 3.92Å; W23-L138 HydrophobicContact CD2-CD1 3.52Å; W23-L138 HydrophobicContact CD2-CD2 4.49Å; W23-L138 HydrophobicContact CE3-CD1 3.72Å; W23-L138 HydrophobicContact CG-CD1 4.03Å; W23-L138 HydrophobicContact CH2-CD1 4.05Å; W23-L138 HydrophobicContact CZ2-CD1 3.86Å; W23-L138 HydrophobicContact CZ2-CD2 4.48Å; W23-L138 HydrophobicContact CZ3-CD1 3.97Å; W23-F152 HydrophobicContact CZ2-CD1 4.08Å; W23-F152 AromaticContact CZ2-CE1 3.8Å; W23-F152 HydrophobicContact CZ2-CE1 3.8Å; W23-F152 HydrophobicContact CZ2-CE2 4.33Å; W23-F152 HydrophobicContact CZ2-CG 4.47Å; W23-F152 AromaticContact CZ2-CZ 3.93Å; W23-F152 HydrophobicContact CZ2-CZ 3.93Å; W23-F152 AromaticContact NE1-CE1 3.63Å |
| 24 | V | 95.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 142.5 | 178 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | V22 L30 I31 V33 V39 | V22-V24 HydrophobicContact CG2-CG2 4.48Å; V24-L30 WeakPolarHBondContact O-CA 3.23Å; V24-I31 HydrophobicContact CB-CG1 4.2Å; V24-I31 PolarHBondContact N-O 3.04Å; V24-I31 PolarHBondContact O-N 2.99Å; V24-V33 HydrophobicContact CB-CG2 4.34Å; V24-V33 HydrophobicContact CG2-CG2 3.57Å; V24-V39 HydrophobicContact CG2-CG1 3.5Å; V24-V39 VanDerWaalsContact CG2-CG1 3.5Å |
| 25 | L | 95.8 | Very high | 93.4 | Very high | 56 Ų | 56 | 58 Ų | 58 | 29% | 0.293 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 120.8 | 171.5 | -176.8 | 65.7 | 0 | 0 | 0 | 109.3 | L30 V42 L67 L70 L72 L87 | L25-L30 HydrophobicContact CB-CD2 4.42Å; L25-L30 HydrophobicContact CD1-CD2 4.43Å; L25-V42 HydrophobicContact CB-CG1 3.59Å; L25-L67 HydrophobicContact CB-CD2 4.41Å; L25-L67 HydrophobicContact CD1-CD2 4.06Å; L25-L67 HydrophobicContact CD2-CD2 3.97Å; L25-L67 HydrophobicContact CG-CD2 4.39Å; L25-L70 HydrophobicContact CD2-CD1 3.74Å; L25-L72 HydrophobicContact CD2-CD1 4.29Å; L25-L87 HydrophobicContact CD1-CD1 3.38Å |
| 26 | Q | 93.3 | Very high | 93.1 | Very high | 105 Ų | 105 | 64.8 Ų | 64.8 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 124.2 | 172.7 | -178.4 | 175.1 | -17.7 | 0 | 0 | 108.7 | Q28 I29 I31 | Q26-Q28 VanDerWaalsContact C-N 3.26Å; Q26-Q28 PolarHBondContact O-N 3.05Å; Q26-I29 PolarHBondContact N-O 3.33Å; Q26-I29 WeakPolarHBondContact O-CA 3.21Å; Q26-I29 WeakPolarHBondContact O-CB 3.26Å; Q26-I29 PolarHBondContact O-N 2.99Å; Q26-I29 VanDerWaalsContact O-O 3.09Å; Q26-I31 HydrophobicContact CB-CD1 4Å; Q26-I31 HydrophobicContact CB-CG1 4.36Å |
| 27 | D | 90.2 | Very high | 92.4 | Very high | 138 Ų | 138 | 70.7 Ų | 70.7 | 74% | 0.738 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.6 | 177.5 | -55.6 | -45.4 | 0 | 0 | 0 | 114 | I29 | D27-I29 PolarHBondContact O-N 3.3Š|
| 28 | Q | 89.4 | Confident | 92.2 | Very high | 145 Ų | 145 | 82.4 Ų | 82.4 | 68% | 0.678 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 20.1 | -175.5 | -57.1 | -172.1 | 89.2 | 0 | 0 | 115.6 | Q26 L87 | Q26-Q28 VanDerWaalsContact C-N 3.26Å; Q26-Q28 PolarHBondContact O-N 3.05Å; Q28-L87 WeakPolarHBondContact O-CD1 3.47Å |
| 29 | I | 92.6 | Very high | 92.2 | Very high | 82 Ų | 82 | 80 Ų | 80 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 136.2 | 175.2 | -59 | 173.2 | 0 | 0 | 0 | 108.7 | Q26 D27 I31 P137 | Q26-I29 PolarHBondContact N-O 3.33Å; Q26-I29 WeakPolarHBondContact O-CA 3.21Å; Q26-I29 WeakPolarHBondContact O-CB 3.26Å; Q26-I29 PolarHBondContact O-N 2.99Å; Q26-I29 VanDerWaalsContact O-O 3.09Å; D27-I29 PolarHBondContact O-N 3.3Å; I29-I31 HydrophobicContact CG2-CG2 4.2Å; I29-P137 HydrophobicContact CG2-CB 3.68Å; I29-P137 HydrophobicContact CG2-CG 3.88Å |
| 30 | L | 95.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 80.5 Ų | 80.5 | 5% | 0.047 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 121.9 | 167.5 | -74.1 | 178.5 | 0 | 0 | 0 | 109.5 | W23 V24 L25 V42 L67 L74 L87 P137 L138 | W23-L30 HydrophobicContact CE3-CD1 4.12Å; V24-L30 WeakPolarHBondContact O-CA 3.23Å; L25-L30 HydrophobicContact CB-CD2 4.42Å; L25-L30 HydrophobicContact CD1-CD2 4.43Å; L30-V42 HydrophobicContact CD2-CG1 4.17Å; L30-V42 HydrophobicContact CD2-CG2 3.73Å; L30-L67 HydrophobicContact CD1-CD1 4.23Å; L30-L67 HydrophobicContact CD2-CD2 4.16Å; L30-L74 HydrophobicContact CD1-CD1 3.91Å; L30-L74 HydrophobicContact CD1-CD2 4.41Å; L30-L74 HydrophobicContact CD1-CG 4.32Å; L30-L87 HydrophobicContact CD1-CD2 4.19Å; L30-L87 HydrophobicContact CG-CD1 4.11Å; L30-L87 HydrophobicContact CG-CD2 4.34Å; L30-L87 HydrophobicContact CG-CG 4.46Å; L30-P137 CarbonylContact O-C 3.49Å; L30-P137 WeakPolarHBondContact O-CA 3.21Å; L30-L138 HydrophobicContact CB-CD1 3.61Å; L30-L138 HydrophobicContact CB-CG 3.97Å; L30-L138 HydrophobicContact CD1-CD1 3.89Å; L30-L138 HydrophobicContact CG-CD1 4.4Å; L30-L138 PolarHBondContact O-N 3.42Å |
| 31 | I | 95.2 | Very high | 92.4 | Very high | 17 Ų | 17 | 76.2 Ų | 76.2 | 9% | 0.087 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 154.4 | 173.1 | 63.1 | 169.8 | 0 | 0 | 0 | 109.7 | W23 V24 Q26 I29 V33 | W23-I31 WeakPolarHBondContact CA-O 3.49Å; V24-I31 HydrophobicContact CB-CG1 4.2Å; V24-I31 PolarHBondContact N-O 3.04Å; V24-I31 PolarHBondContact O-N 2.99Å; Q26-I31 HydrophobicContact CB-CD1 4Å; Q26-I31 HydrophobicContact CB-CG1 4.36Å; I29-I31 HydrophobicContact CG2-CG2 4.2Å; I31-V33 HydrophobicContact CD1-CG1 3.68Å; I31-V33 HydrophobicContact CG1-CG1 4.06Å |
| 32 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R21 V22 V130 G135 C136 L138 | R21-A32 HydrophobicContact CB-CB 4.28Å; V22-A32 WeakPolarHBondContact O-CA 3.4Å; A32-V130 HydrophobicContact CB-CB 4.18Å; A32-V130 HydrophobicContact CB-CG1 3.42Å; A32-V130 VanDerWaalsContact CB-CG1 3.42Å; A32-V130 HydrophobicContact CB-CG2 3.61Å; A32-G135 PolarHBondContact O-N 2.74Å; A32-G135 VanDerWaalsContact O-N 3.1Å; A32-C136 PolarHBondContact N-O 2.87Å; A32-L138 HydrophobicContact CB-CD2 4.05Å |
| 33 | V | 93.3 | Very high | 92.6 | Very high | 29 Ų | 29 | 78.5 Ų | 78.5 | 18% | 0.176 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 150.1 | -176.8 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | R21 V22 V24 I31 R35 V39 | R21-V33 CarbonylContact C-O 3.57Å; R21-V33 WeakPolarHBondContact CA-O 3.46Å; R21-V33 WeakPolarHBondContact CB-O 3.48Å; V22-V33 HydrophobicContact CG2-CG2 4.35Å; V22-V33 PolarHBondContact N-O 2.84Å; V22-V33 PolarHBondContact O-N 3.3Å; V24-V33 HydrophobicContact CB-CG2 4.34Å; V24-V33 HydrophobicContact CG2-CG2 3.57Å; I31-V33 HydrophobicContact CD1-CG1 3.68Å; I31-V33 HydrophobicContact CG1-CG1 4.06Å; V33-R35 PolarHBondContact O-N 3.19Å; V33-V39 HydrophobicContact CG2-CG1 3.84Å; V33-V39 HydrophobicContact CG2-CG2 4.38Å |
| 34 | P | 93.2 | Very high | 92.7 | Very high | 72 Ų | 72 | 78.4 Ų | 78.4 | 47% | 0.468 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 133.9 | 174.3 | -24.3 | 34.1 | 0 | 0 | 0 | 111.4 | K36 | P34-K36 PolarHBondContact O-N 3.14Å |
| 35 | R | 90.3 | Very high | 92.8 | Very high | 153 Ų | 153 | 77.6 Ų | 77.6 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | trans | -63.8 | 124.8 | 176.8 | -169 | 174.6 | -176.6 | 165.4 | 0.6 | 110.5 | H20 V22 V33 | H20-R35 WeakPolarHBondContact O-CB 3.42Å; H20-R35 PolarHBondContact O-N 3.45Å; V22-R35 HydrophobicContact CG1-CB 4.06Å; V22-R35 HydrophobicContact CG1-CG 4.1Å; V22-R35 HydrophobicContact CG2-CB 4.28Å; V33-R35 PolarHBondContact O-N 3.19Å | ||
| 36 | K | 90.1 | Very high | 92.9 | Very high | 145 Ų | 145 | 75.8 Ų | 75.8 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | trans | -142.9 | 160.6 | 176 | -63.5 | -178.2 | -178 | 178.4 | 0 | 109.2 | P34 R38 V39 | P34-K36 PolarHBondContact O-N 3.14Å; K36-R38 PolarHBondContact O-N 2.86Å; K36-V39 HydrophobicContact CB-CG2 4.21Å; K36-V39 WeakPolarHBondContact O-CB 3.32Å; K36-V39 PolarHBondContact O-N 3.32Å | ||
| 37 | D | 81.4 | Confident | 93.1 | Very high | 174 Ų | 174 | 70.9 Ų | 70.9 | 93% | 0.93 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -27.9 | -174 | -59 | -27.6 | 0 | 0 | 0 | 114.8 | ||
| 38 | R | 87.9 | Confident | 93.4 | Very high | 249 Ų | 249 | 65.4 Ų | 65.4 | 94% | 0.94 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -1 | -179.1 | -60.5 | -176 | -176.4 | 179.5 | 0.6 | 113.9 | K36 | K36-R38 PolarHBondContact O-N 2.86Š|
| 39 | V | 89.1 | Confident | 93.8 | Very high | 45 Ų | 45 | 58.6 Ų | 58.6 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -92 | 126 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | V22 V24 V33 K36 P41 | V22-V39 HydrophobicContact CG2-CG1 3.85Å; V24-V39 HydrophobicContact CG2-CG1 3.5Å; V24-V39 VanDerWaalsContact CG2-CG1 3.5Å; V33-V39 HydrophobicContact CG2-CG1 3.84Å; V33-V39 HydrophobicContact CG2-CG2 4.38Å; K36-V39 HydrophobicContact CB-CG2 4.21Å; K36-V39 WeakPolarHBondContact O-CB 3.32Å; K36-V39 PolarHBondContact O-N 3.32Å; V39-P41 WeakPolarHBondContact O-CD 3.49Å | ||
| 40 | S | 91.9 | Very high | 93.8 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 69% | 0.692 | 30% | 0.297 | S | S | * | . | trans | -100.2 | 105.3 | 170.8 | -169.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 41 | P | 95.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 148.9 | 176.4 | -19.6 | 32.8 | 0 | 0 | 0 | 111.3 | V22 W23 V39 | V22-P41 HydrophobicContact CB-CB 4.07Å; V22-P41 HydrophobicContact CB-CG 4.01Å; V22-P41 HydrophobicContact CG1-CG 4.18Å; V22-P41 HydrophobicContact CG2-CB 4.38Å; V22-P41 HydrophobicContact CG2-CG 4.01Å; W23-P41 CarbonylContact O-C 3.56Å; W23-P41 VanDerWaalsContact O-CA 3.29Å; W23-P41 WeakPolarHBondContact O-CA 3.38Å; V39-P41 WeakPolarHBondContact O-CD 3.49Å |
| 42 | V | 96.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 63.6 Ų | 63.6 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 141.5 | 165.4 | -66.4 | 0 | 0 | 0 | 0 | 110 | W23 L25 L30 I44 L67 | W23-V42 HydrophobicContact CB-CG2 3.76Å; W23-V42 WeakPolarHBondContact O-CG2 3.36Å; W23-V42 PolarHBondContact O-N 2.91Å; L25-V42 HydrophobicContact CB-CG1 3.59Å; L30-V42 HydrophobicContact CD2-CG1 4.17Å; L30-V42 HydrophobicContact CD2-CG2 3.73Å; V42-I44 HydrophobicContact CB-CD1 4.41Å; V42-I44 HydrophobicContact CG2-CD1 3.68Å; V42-I44 HydrophobicContact CG2-CG1 4.27Å; V42-L67 HydrophobicContact CG1-CD2 4.32Å |
| 43 | T | 97.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 69.8 Ų | 69.8 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 130.5 | 164.4 | -61.6 | 0 | 0 | 0 | 0 | 108.2 | P12 N68 L157 | P12-T43 HydrophobicContact CB-CG2 3.62Å; T43-N68 HydrophobicContact CG2-CB 3.55Å; T43-N68 WeakPolarHBondContact O-CB 3.49Å; T43-N68 PolarHBondContact O-N 3.4Å; T43-L157 HydrophobicContact CG2-CD1 3.61Å |
| 44 | I | 98.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.6 | 179.6 | -59.5 | -58.8 | 0 | 0 | 0 | 108.8 | P12 V13 I15 W23 V42 L46 L65 G66 L67 | P12-I44 CarbonylContact C-O 3.53Å; P12-I44 WeakPolarHBondContact CA-O 3.32Å; V13-I44 HydrophobicContact CG2-CB 4.01Å; V13-I44 HydrophobicContact CG2-CG2 4.46Å; V13-I44 WeakPolarHBondContact CG2-O 3.45Å; V13-I44 PolarHBondContact N-O 3.34Å; V13-I44 PolarHBondContact O-N 3.38Å; I15-I44 HydrophobicContact CD1-CB 4.03Å; I15-I44 HydrophobicContact CD1-CG1 3.88Å; I15-I44 HydrophobicContact CD1-CG2 4.11Å; I15-I44 HydrophobicContact CG1-CB 4.47Å; I15-I44 HydrophobicContact CG1-CG1 4.31Å; W23-I44 HydrophobicContact CE3-CD1 4.1Å; W23-I44 HydrophobicContact CE3-CG1 4.01Å; W23-I44 HydrophobicContact CZ3-CD1 4.47Å; W23-I44 HydrophobicContact CZ3-CG1 4.31Å; V42-I44 HydrophobicContact CB-CD1 4.41Å; V42-I44 HydrophobicContact CG2-CD1 3.68Å; V42-I44 HydrophobicContact CG2-CG1 4.27Å; I44-L46 HydrophobicContact CG2-CD2 3.71Å; I44-L65 HydrophobicContact CG2-CB 4.2Å; I44-L65 HydrophobicContact CG2-CD2 3.93Å; I44-G66 CarbonylContact C-O 3.6Å; I44-G66 WeakPolarHBondContact CA-O 3.43Å; I44-G66 WeakPolarHBondContact CG2-O 3.48Å; I44-L67 HydrophobicContact CD1-CD1 3.98Å; I44-L67 HydrophobicContact CD1-CG 4.09Å |
| 45 | S | 97.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 69.7 Ų | 69.7 | 5% | 0.049 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 125.2 | 171.6 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | Q11 L65 G66 N68 I92 | Q11-S45 CarbonylContact O-C 3.56Å; Q11-S45 WeakPolarHBondContact O-CA 3.49Å; S45-L65 WeakPolarHBondContact O-CA 3.49Å; S45-G66 PolarHBondContact N-O 2.86Å; S45-G66 PolarHBondContact O-N 2.83Å; S45-N68 VanDerWaalsContact OG-CA 3.23Å; S45-N68 WeakPolarHBondContact OG-CA 3.19Å; S45-N68 WeakPolarHBondContact OG-CB 3.42Å; S45-N68 PolarHBondContact OG-OD1 3.17Å; S45-N68 VanDerWaalsContact OG-OD1 3.05Å; S45-I92 VanDerWaalsContact O-CD1 3.26Å; S45-I92 WeakPolarHBondContact O-CD1 3.47Å |
| 46 | L | 97.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 67.2 Ų | 67.2 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 132.1 | 174.7 | -50.4 | -178.3 | 0 | 0 | 0 | 110 | P10 Q11 V13 I44 I63 L65 L154 | P10-L46 CarbonylContact C-O 3.55Å; P10-L46 WeakPolarHBondContact CA-O 3.35Å; Q11-L46 PolarHBondContact N-O 3.15Å; Q11-L46 PolarHBondContact O-N 3.31Å; V13-L46 HydrophobicContact CG1-CD1 3.89Å; V13-L46 HydrophobicContact CG1-CG 4.24Å; V13-L46 HydrophobicContact CG2-CD1 3.84Å; V13-L46 HydrophobicContact CG2-CD2 4.24Å; V13-L46 HydrophobicContact CG2-CG 3.84Å; I44-L46 HydrophobicContact CG2-CD2 3.71Å; L46-I63 HydrophobicContact CB-CD1 4.5Å; L46-I63 HydrophobicContact CD1-CD1 4.49Å; L46-I63 HydrophobicContact CD2-CD1 3.95Å; L46-L65 HydrophobicContact CD2-CB 4.46Å; L46-L65 HydrophobicContact CD2-CD2 3.41Å; L46-L65 VanDerWaalsContact CD2-CD2 3.41Å; L46-L65 HydrophobicContact CD2-CG 3.73Å; L46-L154 HydrophobicContact CD1-CD2 3.75Å |
| 47 | I | 97.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.1 | 169 | -167.3 | 166.1 | 0 | 0 | 0 | 110.6 | P10 I63 Y64 I92 M93 Y96 | P10-I47 HydrophobicContact CB-CB 4.39Å; P10-I47 HydrophobicContact CG-CB 4.44Å; P10-I47 HydrophobicContact CG-CD1 4.07Å; I47-I63 CarbonylContact O-C 3.49Å; I47-I63 VanDerWaalsContact O-CA 3.25Å; I47-I63 WeakPolarHBondContact O-CA 3.42Å; I47-I63 WeakPolarHBondContact O-CB 3.34Å; I47-Y64 HydrophobicContact CG2-CD2 4.13Å; I47-Y64 PolarHBondContact N-O 2.79Å; I47-Y64 PolarHBondContact O-N 2.85Å; I47-I92 HydrophobicContact CB-CD1 4.33Å; I47-I92 HydrophobicContact CG2-CD1 3.62Å; I47-I92 HydrophobicContact CG2-CG1 3.7Å; I47-M93 HydrophobicContact CD1-CE 4.3Å; I47-M93 HydrophobicContact CD1-SD 3.6Å; I47-Y96 HydrophobicContact CD1-CD1 3.96Å; I47-Y96 HydrophobicContact CD1-CD2 3.41Å; I47-Y96 VanDerWaalsContact CD1-CD2 3.41Å; I47-Y96 HydrophobicContact CD1-CE1 4.29Å; I47-Y96 HydrophobicContact CD1-CE2 3.81Å; I47-Y96 HydrophobicContact CD1-CG 3.5Å; I47-Y96 VanDerWaalsContact CD1-CG 3.5Å; I47-Y96 HydrophobicContact CG1-CD2 3.66Å; I47-Y96 HydrophobicContact CG1-CE2 4.03Å; I47-Y96 HydrophobicContact CG1-CG 4.22Å; I47-Y96 HydrophobicContact CG2-CD2 4.48Å |
| 48 | S | 97.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 68.2 Ų | 68.2 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 136.8 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | R50 N61 Y96 | S48-R50 PolarHBondContact O-N 2.91Å; S48-N61 PolarHBondContact OG-ND2 2.94Å; S48-Y96 WeakPolarHBondContact O-CD2 3.46Å; S48-Y96 WeakPolarHBondContact O-CE2 3.36Å |
| 49 | C | 96.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | trans | -59.8 | 136.7 | 171.6 | -167.8 | 0 | 0 | 0 | 0 | 110 | K6 V52 P62 Y64 L106 | K6-C49 PolarHBondContact NZ-O 2.86Å; C49-V52 HydrophobicContact CB-CG1 4.32Å; C49-V52 WeakPolarHBondContact O-CG1 3.47Å; C49-P62 HydrophobicContact CB-CB 4.01Å; C49-P62 WeakPolarHBondContact CB-O 3.39Å; C49-P62 PolarHBondContact N-O 2.97Å; C49-Y64 HydrophobicContact CB-CE2 4.49Å; C49-L106 HydrophobicContact CB-CD1 4.49Å; C49-L106 HydrophobicContact CB-CD2 3.81Å | ||
| 50 | R | 93.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -75.2 | -43 | 177.2 | -175.7 | -179.9 | -72.1 | 168.3 | -3.8 | 111.6 | S48 V52 Y96 | S48-R50 PolarHBondContact O-N 2.91Å; R50-V52 PolarHBondContact O-N 3.07Å; R50-Y96 HydrophobicContact CB-CE2 4.23Å; R50-Y96 PolarHBondContact NE-OH 3.22Å; R50-Y96 VanDerWaalsContact NH2-CZ 3.29Å; R50-Y96 PolarHBondContact NH2-OH 3.25Å |
| 51 | H | 93.5 | Very high | 95 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 21% | 0.208 | 29% | 0.294 | C | S | . | . | trans | -98.7 | 84.3 | -172.9 | -63.1 | -68.6 | 0 | 0 | 0 | 110.5 | E53 Q98 P99 P101 | H51-E53 VanDerWaalsContact C-OE2 3.27Å; H51-E53 VanDerWaalsContact CA-OE2 3.32Å; H51-E53 WeakPolarHBondContact CA-OE2 3.47Å; H51-E53 WeakPolarHBondContact CB-OE1 3.44Å; H51-E53 IonicContact CG-OE1 3.19Å; H51-E53 IonicContact ND1-OE1 3.02Å; H51-E53 PolarHBondContact ND1-OE1 2.93Å; H51-Q98 PolarHBondContact CD2-O 2.86Å; H51-P99 PolarHBondContact CD2-O 2.96Å; H51-P101 HydrophobicContact CB-CG 3.77Å; H51-P101 WeakPolarHBondContact O-CG 3.43Å | ||
| 52 | V | 94 | Very high | 95.1 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 33% | 0.327 | 29% | 0.285 | S | S | . | . | trans | -97.1 | -9.7 | -175.7 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | C49 R50 T54 L55 P62 | C49-V52 HydrophobicContact CB-CG1 4.32Å; C49-V52 WeakPolarHBondContact O-CG1 3.47Å; R50-V52 PolarHBondContact O-N 3.07Å; V52-T54 VanDerWaalsContact C-N 3.27Å; V52-T54 PolarHBondContact O-N 3.47Å; V52-L55 WeakPolarHBondContact O-CB 3.49Å; V52-L55 PolarHBondContact O-N 2.82Å; V52-L55 VanDerWaalsContact O-N 3.08Å; V52-P62 HydrophobicContact CG1-CG 3.94Å | ||
| 53 | E | 91.7 | Very high | 95.2 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 60% | 0.603 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.1 | -174.5 | 55.7 | -81.3 | -175.1 | 0 | 0 | 114 | H51 | H51-E53 VanDerWaalsContact C-OE2 3.27Å; H51-E53 VanDerWaalsContact CA-OE2 3.32Å; H51-E53 WeakPolarHBondContact CA-OE2 3.47Å; H51-E53 WeakPolarHBondContact CB-OE1 3.44Å; H51-E53 IonicContact CG-OE1 3.19Å; H51-E53 IonicContact ND1-OE1 3.02Å; H51-E53 PolarHBondContact ND1-OE1 2.93Å |
| 54 | T | 90.8 | Very high | 95.2 | Very high | 87 Ų | 87 | 53 Ų | 53 | 53% | 0.534 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.3 | 178.5 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | V52 | V52-T54 VanDerWaalsContact C-N 3.27Å; V52-T54 PolarHBondContact O-N 3.47Å |
| 55 | L | 95.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 53 Ų | 53 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -102.1 | 159.1 | -177.4 | -57.4 | -177.8 | 0 | 0 | 0 | 110.8 | V52 K57 P62 P101 K103 L106 Y108 V121 | V52-L55 WeakPolarHBondContact O-CB 3.49Å; V52-L55 PolarHBondContact O-N 2.82Å; V52-L55 VanDerWaalsContact O-N 3.08Å; L55-K57 PolarHBondContact O-N 2.75Å; L55-P62 HydrophobicContact CD1-CB 3.55Å; L55-P62 HydrophobicContact CD1-CG 3.64Å; L55-P101 HydrophobicContact CD1-CB 4.38Å; L55-P101 HydrophobicContact CD1-CG 4.45Å; L55-P101 HydrophobicContact CD2-CB 4.02Å; L55-P101 HydrophobicContact CD2-CG 4.28Å; L55-P101 HydrophobicContact CG-CB 4.46Å; L55-P101 HydrophobicContact CG-CG 4.33Å; L55-K103 HydrophobicContact CD2-CG 4.36Å; L55-L106 HydrophobicContact CD1-CD1 3.98Å; L55-Y108 HydrophobicContact CB-CE1 4.31Å; L55-V121 HydrophobicContact CD2-CG1 3.93Å |
| 56 | E | 93.8 | Very high | 95.3 | Very high | 101 Ų | 101 | 52.8 Ų | 52.8 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 136.1 | 178.2 | -64.8 | -179 | 174.1 | 0 | 0 | 109.9 | R59 Y108 | E56-R59 HydrophobicContact CB-CG 4.12Å; E56-R59 WeakPolarHBondContact OE2-CD 3.39Å; E56-R59 IonicContact OE2-CZ 2.57Å; E56-R59 IonicContact OE2-NE 3.81Å; E56-R59 IonicContact OE2-NH1 3.06Å; E56-R59 PolarHBondContact OE2-NH1 3.17Å; E56-Y108 WeakPolarHBondContact CB-OH 3.35Å; E56-Y108 PolarHBondContact N-OH 2.96Å |
| 57 | K | 91.4 | Very high | 95.3 | Very high | 170 Ų | 170 | 52.1 Ų | 52.1 | 74% | 0.739 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -82.8 | 161.1 | 178.2 | -61.6 | -178 | -177 | 177.1 | 0 | 110.1 | L55 R59 | L55-K57 PolarHBondContact O-N 2.75Å; K57-R59 WeakPolarHBondContact O-CG 2.94Å; K57-R59 PolarHBondContact O-N 2.88Å; K57-R59 VanDerWaalsContact O-N 3.16Å |
| 58 | D | 90.5 | Very high | 95.1 | Very high | 170 Ų | 170 | 55.8 Ų | 55.8 | 91% | 0.909 | 28% | 0.283 | S | S | * | . | S | Bend | trans | 63.1 | 20.2 | 171.9 | -48.6 | -45 | 0 | 0 | 0 | 115.6 | ||
| 59 | R | 93.1 | Very high | 94.9 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 28% | 0.275 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -103.8 | -3.9 | 176.8 | -53.8 | -155.2 | 71.6 | 167.3 | 8.6 | 114.8 | E56 K57 Y108 E119 | E56-R59 HydrophobicContact CB-CG 4.12Å; E56-R59 WeakPolarHBondContact OE2-CD 3.39Å; E56-R59 IonicContact OE2-CZ 2.57Å; E56-R59 IonicContact OE2-NE 3.81Å; E56-R59 IonicContact OE2-NH1 3.06Å; E56-R59 PolarHBondContact OE2-NH1 3.17Å; K57-R59 WeakPolarHBondContact O-CG 2.94Å; K57-R59 PolarHBondContact O-N 2.88Å; K57-R59 VanDerWaalsContact O-N 3.16Å; R59-Y108 HydrophobicContact CB-CD1 4Å; R59-Y108 HydrophobicContact CB-CD2 3.79Å; R59-Y108 HydrophobicContact CB-CE1 4.33Å; R59-Y108 HydrophobicContact CB-CE2 4.13Å; R59-Y108 HydrophobicContact CB-CG 3.74Å; R59-Y108 WeakPolarHBondContact O-CB 3.4Å; R59-E119 IonicContact CZ-OE1 3.7Å; R59-E119 IonicContact CZ-OE2 3.7Å; R59-E119 VanDerWaalsContact CZ-OE2 3.3Å; R59-E119 IonicContact NE-OE1 3.74Å; R59-E119 IonicContact NE-OE2 3.46Å; R59-E119 PolarHBondContact NE-OE2 2.91Å; R59-E119 IonicContact NH1-OE1 2.76Å; R59-E119 PolarHBondContact NH1-OE1 3.1Å; R59-E119 IonicContact NH2-OE1 3.3Å; R59-E119 PolarHBondContact NH2-OE1 3.21Å; R59-E119 IonicContact NH2-OE2 2.91Å; R59-E119 PolarHBondContact NH2-OE2 2.9Å |
| 60 | G | 95.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 62.2 Ų | 62.2 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | 115.5 | -177.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112 | P62 H109 | G60-P62 WeakPolarHBondContact O-CD 3.47Å; G60-H109 CarbonylContact C-O 3.58Å; G60-H109 VanDerWaalsContact CA-O 3.29Å; G60-H109 WeakPolarHBondContact CA-O 2.97Å | ||
| 61 | N | 96.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 61.5 Ų | 61.5 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.3 | 178.5 | -176.9 | 36.8 | 0 | 0 | 0 | 110 | S48 I63 H109 | S48-N61 PolarHBondContact OG-ND2 2.94Å; N61-I63 WeakPolarHBondContact ND2-CG2 3.46Å; N61-I63 PolarHBondContact O-N 2.75Å; N61-H109 PolarHBondContact N-O 3.16Å; N61-H109 PolarHBondContact O-N 2.89Å |
| 62 | P | 98 | Very high | 95.2 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 122.8 | 175.7 | -12.8 | 27.3 | 0 | 0 | 0 | 110.1 | C49 V52 L55 G60 F107 Y108 | C49-P62 HydrophobicContact CB-CB 4.01Å; C49-P62 WeakPolarHBondContact CB-O 3.39Å; C49-P62 PolarHBondContact N-O 2.97Å; V52-P62 HydrophobicContact CG1-CG 3.94Å; L55-P62 HydrophobicContact CD1-CB 3.55Å; L55-P62 HydrophobicContact CD1-CG 3.64Å; G60-P62 WeakPolarHBondContact O-CD 3.47Å; P62-F107 CarbonylContact C-O 3.51Å; P62-F107 WeakPolarHBondContact CA-O 3.46Å; P62-Y108 HydrophobicContact CB-CD1 4.18Å; P62-Y108 HydrophobicContact CB-CE1 4.27Å; P62-Y108 HydrophobicContact CG-CD1 3.87Å; P62-Y108 HydrophobicContact CG-CE1 3.81Å |
| 63 | I | 98.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.8 | -177.7 | 63.6 | 163.8 | 0 | 0 | 0 | 111.8 | L46 I47 N61 L65 L106 F107 H109 F118 | L46-I63 HydrophobicContact CB-CD1 4.5Å; L46-I63 HydrophobicContact CD1-CD1 4.49Å; L46-I63 HydrophobicContact CD2-CD1 3.95Å; I47-I63 CarbonylContact O-C 3.49Å; I47-I63 VanDerWaalsContact O-CA 3.25Å; I47-I63 WeakPolarHBondContact O-CA 3.42Å; I47-I63 WeakPolarHBondContact O-CB 3.34Å; N61-I63 WeakPolarHBondContact ND2-CG2 3.46Å; N61-I63 PolarHBondContact O-N 2.75Å; I63-L65 HydrophobicContact CD1-CD1 4.07Å; I63-L65 HydrophobicContact CD1-CD2 4.36Å; I63-L65 HydrophobicContact CD1-CG 4.04Å; I63-L65 HydrophobicContact CG1-CD1 4.18Å; I63-L106 WeakPolarHBondContact O-CA 3.25Å; I63-L106 WeakPolarHBondContact O-CD2 3.48Å; I63-F107 WeakPolarHBondContact CG1-O 3.46Å; I63-F107 PolarHBondContact N-O 2.57Å; I63-F107 PolarHBondContact O-N 2.97Å; I63-H109 HydrophobicContact CD1-CB 3.63Å; I63-H109 HydrophobicContact CG1-CB 3.85Å; I63-H109 HydrophobicContact CG2-CB 4.3Å; I63-F118 HydrophobicContact CD1-CD1 4.05Å; I63-F118 HydrophobicContact CD1-CE1 3.79Å |
| 64 | Y | 98.7 | Very high | 95.7 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 143.9 | 161.2 | -60.9 | -71.3 | 0 | 0 | 0 | 109.2 | I47 C49 L95 V102 F105 L106 | I47-Y64 HydrophobicContact CG2-CD2 4.13Å; I47-Y64 PolarHBondContact N-O 2.79Å; I47-Y64 PolarHBondContact O-N 2.85Å; C49-Y64 HydrophobicContact CB-CE2 4.49Å; Y64-L95 HydrophobicContact CD1-CB 3.92Å; Y64-L95 HydrophobicContact CD1-CD1 3.96Å; Y64-L95 HydrophobicContact CD1-CG 4.47Å; Y64-L95 HydrophobicContact CD2-CB 4.16Å; Y64-L95 HydrophobicContact CE1-CB 3.86Å; Y64-L95 HydrophobicContact CE1-CD1 4.41Å; Y64-L95 HydrophobicContact CE2-CB 4.09Å; Y64-L95 WeakPolarHBondContact CE2-O 3.45Å; Y64-L95 HydrophobicContact CG-CB 4.06Å; Y64-L95 HydrophobicContact CG-CD1 4.42Å; Y64-L95 PolarHBondContact OH-O 3.46Å; Y64-V102 HydrophobicContact CE1-CB 4.25Å; Y64-V102 PolarHBondContact OH-N 3.39Å; Y64-F105 HydrophobicContact CD1-CB 3.73Å; Y64-F105 WeakPolarHBondContact CD1-O 3.26Å; Y64-F105 HydrophobicContact CE1-CB 3.86Å; Y64-L106 HydrophobicContact CD1-CD2 3.55Å; Y64-L106 HydrophobicContact CD1-CG 3.94Å; Y64-L106 HydrophobicContact CD2-CD2 3.99Å; Y64-L106 HydrophobicContact CE1-CD1 4.28Å; Y64-L106 HydrophobicContact CE1-CD2 3.37Å; Y64-L106 HydrophobicContact CE1-CG 3.43Å; Y64-L106 VanDerWaalsContact CE1-CG 3.43Å; Y64-L106 HydrophobicContact CE2-CD2 3.85Å; Y64-L106 HydrophobicContact CG-CD2 3.86Å |
| 65 | L | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 118.2 | 173 | -62.4 | 106.3 | 0 | 0 | 0 | 109.9 | I44 S45 L46 I63 C73 L74 F107 F118 | I44-L65 HydrophobicContact CG2-CB 4.2Å; I44-L65 HydrophobicContact CG2-CD2 3.93Å; S45-L65 WeakPolarHBondContact O-CA 3.49Å; L46-L65 HydrophobicContact CD2-CB 4.46Å; L46-L65 HydrophobicContact CD2-CD2 3.41Å; L46-L65 VanDerWaalsContact CD2-CD2 3.41Å; L46-L65 HydrophobicContact CD2-CG 3.73Å; I63-L65 HydrophobicContact CD1-CD1 4.07Å; I63-L65 HydrophobicContact CD1-CD2 4.36Å; I63-L65 HydrophobicContact CD1-CG 4.04Å; I63-L65 HydrophobicContact CG1-CD1 4.18Å; L65-C73 WeakPolarHBondContact O-CA 3.48Å; L65-L74 HydrophobicContact CB-CB 4.31Å; L65-L74 HydrophobicContact CB-CD1 4.15Å; L65-L74 HydrophobicContact CB-CD2 4.26Å; L65-L74 HydrophobicContact CB-CG 4.48Å; L65-L74 PolarHBondContact O-N 3.18Å; L65-F107 HydrophobicContact CD1-CB 3.82Å; L65-F107 HydrophobicContact CD1-CD2 3.26Å; L65-F107 HydrophobicContact CD1-CE2 3.97Å; L65-F107 HydrophobicContact CD1-CG 3.66Å; L65-F118 HydrophobicContact CD1-CD1 4.31Å; L65-F118 HydrophobicContact CD2-CD1 4.15Å; L65-F118 HydrophobicContact CD2-CE1 3.94Å; L65-F118 HydrophobicContact CD2-CZ 4.28Å |
| 66 | G | 98.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 161.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I44 S45 L72 | I44-G66 CarbonylContact C-O 3.6Å; I44-G66 WeakPolarHBondContact CA-O 3.43Å; I44-G66 WeakPolarHBondContact CG2-O 3.48Å; S45-G66 PolarHBondContact N-O 2.86Å; S45-G66 PolarHBondContact O-N 2.83Å; G66-L72 CarbonylContact C-O 3.19Å; G66-L72 WeakPolarHBondContact CA-O 3.48Å |
| 67 | L | 97.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.5 | 168.3 | -82.1 | 62.4 | 0 | 0 | 0 | 108.1 | L25 L30 V42 I44 G69 L70 L72 L74 L87 | L25-L67 HydrophobicContact CB-CD2 4.41Å; L25-L67 HydrophobicContact CD1-CD2 4.06Å; L25-L67 HydrophobicContact CD2-CD2 3.97Å; L25-L67 HydrophobicContact CG-CD2 4.39Å; L30-L67 HydrophobicContact CD1-CD1 4.23Å; L30-L67 HydrophobicContact CD2-CD2 4.16Å; V42-L67 HydrophobicContact CG1-CD2 4.32Å; I44-L67 HydrophobicContact CD1-CD1 3.98Å; I44-L67 HydrophobicContact CD1-CG 4.09Å; L67-G69 PolarHBondContact O-N 3.5Å; L67-L70 HydrophobicContact CB-CB 4Å; L67-L70 HydrophobicContact CB-CD1 4.03Å; L67-L70 HydrophobicContact CB-CG 4.4Å; L67-L70 HydrophobicContact CD2-CD1 3.97Å; L67-L70 PolarHBondContact O-N 3.08Å; L67-L72 HydrophobicContact CB-CB 4.44Å; L67-L72 HydrophobicContact CD2-CD1 4.41Å; L67-L72 PolarHBondContact N-O 3.32Å; L67-L74 HydrophobicContact CD1-CD1 3.75Å; L67-L87 HydrophobicContact CD1-CD2 3.63Å; L67-L87 HydrophobicContact CD2-CD1 4.15Å |
| 68 | N | 94.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 129.5 | -173.8 | -173.7 | 77.6 | 0 | 0 | 0 | 111.5 | T43 S45 L70 | T43-N68 HydrophobicContact CG2-CB 3.55Å; T43-N68 WeakPolarHBondContact O-CB 3.49Å; T43-N68 PolarHBondContact O-N 3.4Å; S45-N68 VanDerWaalsContact OG-CA 3.23Å; S45-N68 WeakPolarHBondContact OG-CA 3.19Å; S45-N68 WeakPolarHBondContact OG-CB 3.42Å; S45-N68 PolarHBondContact OG-OD1 3.17Å; S45-N68 VanDerWaalsContact OG-OD1 3.05Å; N68-L70 PolarHBondContact O-N 3.28Å |
| 69 | G | 91.9 | Very high | 96.2 | Very high | 76 Ų | 76 | 38.3 Ų | 38.3 | 78% | 0.784 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L67 | L67-G69 PolarHBondContact O-N 3.5Š|
| 70 | L | 95.1 | Very high | 95.8 | Very high | 84 Ų | 84 | 37.8 Ų | 37.8 | 44% | 0.44 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -123.5 | 144.4 | 175.2 | -57.4 | 178.9 | 0 | 0 | 0 | 109.9 | L25 L67 N68 L72 | L25-L70 HydrophobicContact CD2-CD1 3.74Å; L67-L70 HydrophobicContact CB-CB 4Å; L67-L70 HydrophobicContact CB-CD1 4.03Å; L67-L70 HydrophobicContact CB-CG 4.4Å; L67-L70 HydrophobicContact CD2-CD1 3.97Å; L67-L70 PolarHBondContact O-N 3.08Å; N68-L70 PolarHBondContact O-N 3.28Å; L70-L72 HydrophobicContact CB-CB 4.45Å; L70-L72 HydrophobicContact CB-CD1 4.43Å; L70-L72 HydrophobicContact CB-CG 4.47Å; L70-L72 HydrophobicContact CD1-CD1 4.35Å; L70-L72 PolarHBondContact O-N 2.88Å |
| 71 | N | 96.4 | Very high | 95.5 | Very high | 99 Ų | 99 | 43.9 Ų | 43.9 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -80.7 | 52.2 | 173.4 | -68.8 | -15.1 | 0 | 0 | 0 | 110.8 | E89 K90 | N71-E89 CarbonylContact O-C 3.49Å; N71-E89 WeakPolarHBondContact O-CA 3.43Å; N71-K90 CarbonylContact C-O 3.46Å; N71-K90 PolarHBondContact O-N 2.89Å |
| 72 | L | 98.2 | Very high | 95.3 | Very high | 24 Ų | 24 | 47.2 Ų | 47.2 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.5 | -178.7 | -67.4 | 171.7 | 0 | 0 | 0 | 109.8 | L25 G66 L67 L70 L87 K88 K90 | L25-L72 HydrophobicContact CD2-CD1 4.29Å; G66-L72 CarbonylContact C-O 3.19Å; G66-L72 WeakPolarHBondContact CA-O 3.48Å; L67-L72 HydrophobicContact CB-CB 4.44Å; L67-L72 HydrophobicContact CD2-CD1 4.41Å; L67-L72 PolarHBondContact N-O 3.32Å; L70-L72 HydrophobicContact CB-CB 4.45Å; L70-L72 HydrophobicContact CB-CD1 4.43Å; L70-L72 HydrophobicContact CB-CG 4.47Å; L70-L72 HydrophobicContact CD1-CD1 4.35Å; L70-L72 PolarHBondContact O-N 2.88Å; L72-L87 HydrophobicContact CD1-CD1 4.42Å; L72-K88 WeakPolarHBondContact CA-O 3.45Å; L72-K90 PolarHBondContact N-O 2.99Å |
| 73 | C | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.007 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.5 | 175.2 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | L65 K88 K90 L95 F105 | L65-C73 WeakPolarHBondContact O-CA 3.48Å; C73-K88 PolarHBondContact N-O 2.76Å; C73-K88 PolarHBondContact O-N 2.97Å; C73-K90 HydrophobicContact CB-CB 4.38Å; C73-K90 PolarHBondContact SG-O 3.43Å; C73-L95 HydrophobicContact CB-CD1 3.82Å; C73-F105 HydrophobicContact CB-CD1 3.82Å; C73-F105 HydrophobicContact CB-CE1 4Å |
| 74 | L | 98.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 131.3 | 173.1 | -80.3 | 69.3 | 0 | 0 | 0 | 109.4 | W23 L30 L65 L67 L85 L87 F105 F107 I128 | W23-L74 HydrophobicContact CZ3-CD2 4.25Å; L30-L74 HydrophobicContact CD1-CD1 3.91Å; L30-L74 HydrophobicContact CD1-CD2 4.41Å; L30-L74 HydrophobicContact CD1-CG 4.32Å; L65-L74 HydrophobicContact CB-CB 4.31Å; L65-L74 HydrophobicContact CB-CD1 4.15Å; L65-L74 HydrophobicContact CB-CD2 4.26Å; L65-L74 HydrophobicContact CB-CG 4.48Å; L65-L74 PolarHBondContact O-N 3.18Å; L67-L74 HydrophobicContact CD1-CD1 3.75Å; L74-L85 HydrophobicContact CB-CD1 4.31Å; L74-L85 HydrophobicContact CD2-CD1 4.27Å; L74-L85 HydrophobicContact CD2-CD2 4.21Å; L74-L85 HydrophobicContact CG-CD1 4.46Å; L74-L87 HydrophobicContact CD1-CD2 3.81Å; L74-L87 HydrophobicContact CG-CD2 4.25Å; L74-F105 VanDerWaalsContact O-CD1 3.32Å; L74-F105 WeakPolarHBondContact O-CD1 3.31Å; L74-F107 HydrophobicContact CB-CE2 3.9Å; L74-F107 HydrophobicContact CB-CZ 4.18Å; L74-I128 HydrophobicContact CD2-CD1 3.77Å |
| 75 | M | 98.3 | Very high | 95 | Very high | 41 Ų | 41 | 50.5 Ų | 50.5 | 20% | 0.202 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.4 | 177.5 | -174.6 | -162.9 | 166.8 | 0 | 0 | 109.6 | A77 Q86 K88 S104 F105 | M75-A77 HydrophobicContact CE-CB 4.18Å; M75-Q86 PolarHBondContact N-O 2.84Å; M75-Q86 PolarHBondContact O-N 2.89Å; M75-K88 HydrophobicContact CB-CB 4.33Å; M75-K88 HydrophobicContact SD-CB 4.48Å; M75-S104 CarbonylContact C-O 3.54Å; M75-S104 WeakPolarHBondContact CA-O 3.35Å; M75-F105 HydrophobicContact CB-CD1 3.91Å; M75-F105 HydrophobicContact CB-CE1 3.76Å; M75-F105 HydrophobicContact CB-CE2 4.41Å; M75-F105 HydrophobicContact CB-CG 4.33Å; M75-F105 HydrophobicContact CB-CZ 4.02Å; M75-F105 HydrophobicContact CG-CD1 4.32Å; M75-F105 HydrophobicContact CG-CD2 4.09Å; M75-F105 HydrophobicContact CG-CE1 4.14Å; M75-F105 HydrophobicContact CG-CE2 3.88Å; M75-F105 HydrophobicContact CG-CG 4.33Å; M75-F105 HydrophobicContact CG-CZ 3.91Å; M75-F105 HydrophobicContact SD-CE2 4.05Å; M75-F105 HydrophobicContact SD-CZ 3.96Å |
| 76 | C | 98.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.7 | 163.4 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | T84 S104 F107 S120 F123 L140 | C76-T84 WeakPolarHBondContact CA-O 3.29Å; C76-S104 PolarHBondContact N-O 3.02Å; C76-F107 WeakPolarHBondContact SG-CE1 3.41Å; C76-F107 WeakPolarHBondContact SG-CZ 3.4Å; C76-S120 PolarHBondContact SG-OG 3.04Å; C76-F123 HydrophobicContact CB-CD2 3.59Å; C76-F123 HydrophobicContact CB-CE2 3.67Å; C76-L140 HydrophobicContact CB-CD1 4.2Å |
| 77 | A | 95.9 | Very high | 94.8 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | M75 A79 P83 T84 Q86 | M75-A77 HydrophobicContact CE-CB 4.18Å; A77-A79 PolarHBondContact O-N 3.2Å; A77-P83 CarbonylContact O-C 3.53Å; A77-P83 WeakPolarHBondContact O-CA 3.43Å; A77-T84 PolarHBondContact N-O 3.1Å; A77-T84 PolarHBondContact O-N 3.49Å; A77-T84 PolarHBondContact O-OG1 2.89Å; A77-Q86 HydrophobicContact CB-CG 4.48Å |
| 78 | K | 92.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 61.6 Ų | 61.6 | 65% | 0.648 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 123 | 170.9 | -170.1 | 171.1 | -176.1 | 176.8 | 0 | 108.9 | G80 F123 | K78-G80 WeakPolarHBondContact CE-O 3.38Å; K78-G80 WeakPolarHBondContact CG-O 3.41Å; K78-F123 HydrophobicContact CB-CE1 4.19Å; K78-F123 HydrophobicContact CB-CZ 3.99Å |
| 79 | A | 86.8 | Confident | 95 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 103.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | A77 D81 Q82 T84 | A77-A79 PolarHBondContact O-N 3.2Å; A79-D81 PolarHBondContact O-N 2.78Å; A79-Q82 PolarHBondContact N-O 3.25Å; A79-Q82 VanDerWaalsContact N-O 3.1Å; A79-Q82 VanDerWaalsContact O-O 3.08Å; A79-T84 HydrophobicContact CB-CG2 3.82Å |
| 80 | G | 86.5 | Confident | 95.3 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 63% | 0.629 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | -128.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K78 | K78-G80 WeakPolarHBondContact CE-O 3.38Å; K78-G80 WeakPolarHBondContact CG-O 3.41Å |
| 81 | D | 87.8 | Confident | 95.4 | Very high | 162 Ų | 162 | 63.8 Ų | 63.8 | 87% | 0.866 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -15.8 | -173.8 | -64.5 | -33.3 | 0 | 0 | 0 | 113.9 | A79 | A79-D81 PolarHBondContact O-N 2.78Š|
| 82 | Q | 92 | Very high | 95.4 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.4 | -175.9 | -66.2 | -175.5 | -5.4 | 0 | 0 | 111.9 | A79 W126 | A79-Q82 PolarHBondContact N-O 3.25Å; A79-Q82 VanDerWaalsContact N-O 3.1Å; A79-Q82 VanDerWaalsContact O-O 3.08Å; Q82-W126 HydrophobicContact CB-CH2 4.03Å; Q82-W126 HydrophobicContact CG-CH2 3.93Å; Q82-W126 HydrophobicContact CG-CZ2 4.36Å |
| 83 | P | 96.4 | Very high | 95.4 | Very high | 11 Ų | 11 | 61.3 Ų | 61.3 | 7% | 0.071 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 148.1 | 171.3 | 33.6 | -34.4 | 0 | 0 | 0 | 110.7 | A77 F123 W126 L140 | A77-P83 CarbonylContact O-C 3.53Å; A77-P83 WeakPolarHBondContact O-CA 3.43Å; P83-F123 HydrophobicContact CB-CB 4.09Å; P83-F123 HydrophobicContact CB-CD1 3.71Å; P83-F123 HydrophobicContact CB-CD2 3.63Å; P83-F123 HydrophobicContact CB-CE1 3.98Å; P83-F123 HydrophobicContact CB-CE2 3.92Å; P83-F123 HydrophobicContact CB-CG 3.52Å; P83-F123 HydrophobicContact CB-CZ 4.09Å; P83-F123 HydrophobicContact CG-CB 4.03Å; P83-F123 HydrophobicContact CG-CD1 4.14Å; P83-F123 HydrophobicContact CG-CD2 4.49Å; P83-F123 HydrophobicContact CG-CG 3.97Å; P83-W126 VanDerWaalsContact CD-CE2 3.46Å; P83-W126 VanDerWaalsContact CD-CZ2 3.47Å; P83-W126 HydrophobicContact CG-CB 4.31Å; P83-W126 HydrophobicContact CG-CD2 3.28Å; P83-W126 VanDerWaalsContact CG-CE2 3.46Å; P83-W126 HydrophobicContact CG-CE3 3.67Å; P83-W126 HydrophobicContact CG-CG 3.6Å; P83-W126 HydrophobicContact CG-CH2 4.3Å; P83-W126 HydrophobicContact CG-CZ2 3.99Å; P83-W126 HydrophobicContact CG-CZ3 4.14Å; P83-L140 HydrophobicContact CB-CD1 3.81Å; P83-L140 HydrophobicContact CG-CD1 4.13Å |
| 84 | T | 95.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.7 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 109.9 | C76 A77 A79 Q86 | C76-T84 WeakPolarHBondContact CA-O 3.29Å; A77-T84 PolarHBondContact N-O 3.1Å; A77-T84 PolarHBondContact O-N 3.49Å; A77-T84 PolarHBondContact O-OG1 2.89Å; A79-T84 HydrophobicContact CB-CG2 3.82Å; T84-Q86 PolarHBondContact OG1-NE2 2.84Å; T84-Q86 VanDerWaalsContact OG1-NE2 3.15Å |
| 85 | L | 97 | Very high | 95.4 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 129.6 | 171.4 | -167.6 | 65.9 | 0 | 0 | 0 | 109.1 | L74 F107 I128 L138 L140 | L74-L85 HydrophobicContact CB-CD1 4.31Å; L74-L85 HydrophobicContact CD2-CD1 4.27Å; L74-L85 HydrophobicContact CD2-CD2 4.21Å; L74-L85 HydrophobicContact CG-CD1 4.46Å; L85-F107 HydrophobicContact CD1-CE1 4Å; L85-F107 HydrophobicContact CD1-CZ 3.58Å; L85-I128 HydrophobicContact CD1-CD1 4.42Å; L85-I128 HydrophobicContact CD1-CG1 4.36Å; L85-I128 HydrophobicContact CD2-CD1 4.32Å; L85-I128 HydrophobicContact CD2-CG1 4.17Å; L85-I128 HydrophobicContact CD2-CG2 4.11Å; L85-L138 HydrophobicContact CD2-CB 3.76Å; L85-L138 HydrophobicContact CD2-CD1 4.42Å; L85-L140 HydrophobicContact CB-CG 4.16Å; L85-L140 HydrophobicContact CD1-CD2 4.46Å |
| 86 | Q | 96.1 | Very high | 95.3 | Very high | 89 Ų | 89 | 63.7 Ų | 63.7 | 42% | 0.416 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 155.7 | -178.1 | -59.5 | -175.6 | 0.4 | 0 | 0 | 110.3 | M75 A77 T84 | M75-Q86 PolarHBondContact N-O 2.84Å; M75-Q86 PolarHBondContact O-N 2.89Å; A77-Q86 HydrophobicContact CB-CG 4.48Å; T84-Q86 PolarHBondContact OG1-NE2 2.84Å; T84-Q86 VanDerWaalsContact OG1-NE2 3.15Å |
| 87 | L | 97.7 | Very high | 95.3 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.178 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 133.1 | 163.3 | -70.3 | 179.6 | 0 | 0 | 0 | 109.3 | L25 Q28 L30 L67 L72 L74 | L25-L87 HydrophobicContact CD1-CD1 3.38Å; Q28-L87 WeakPolarHBondContact O-CD1 3.47Å; L30-L87 HydrophobicContact CD1-CD2 4.19Å; L30-L87 HydrophobicContact CG-CD1 4.11Å; L30-L87 HydrophobicContact CG-CD2 4.34Å; L30-L87 HydrophobicContact CG-CG 4.46Å; L67-L87 HydrophobicContact CD1-CD2 3.63Å; L67-L87 HydrophobicContact CD2-CD1 4.15Å; L72-L87 HydrophobicContact CD1-CD1 4.42Å; L74-L87 HydrophobicContact CD1-CD2 3.81Å; L74-L87 HydrophobicContact CG-CD2 4.25Å |
| 88 | K | 97.7 | Very high | 95.3 | Very high | 117 Ų | 117 | 70.6 Ų | 70.6 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 135.8 | 176.6 | -174.6 | 63.2 | 174.3 | 178.6 | 0 | 110 | L72 C73 M75 K90 F105 | L72-K88 WeakPolarHBondContact CA-O 3.45Å; C73-K88 PolarHBondContact N-O 2.76Å; C73-K88 PolarHBondContact O-N 2.97Å; M75-K88 HydrophobicContact CB-CB 4.33Å; M75-K88 HydrophobicContact SD-CB 4.48Å; K88-K90 PolarHBondContact O-N 3.25Å; K88-F105 HydrophobicContact CB-CE1 3.86Å; K88-F105 HydrophobicContact CB-CZ 3.98Å; K88-F105 HydrophobicContact CG-CE1 4.24Å; K88-F105 HydrophobicContact CG-CZ 3.9Å |
| 89 | E | 97.7 | Very high | 95.5 | Very high | 158 Ų | 158 | 68.2 Ų | 68.2 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 104.1 | 173 | -168.6 | 179 | 177.9 | 0 | 0 | 110.1 | N71 | N71-E89 CarbonylContact O-C 3.49Å; N71-E89 WeakPolarHBondContact O-CA 3.43Å |
| 90 | K | 97.6 | Very high | 96 | Very high | 65 Ų | 65 | 72.9 Ų | 72.9 | 28% | 0.283 | 38% | 0.382 | S | S | . | . | trans | -165.9 | 135.8 | -176.8 | -162.2 | 62.7 | 177.5 | 154.2 | 0 | 110.2 | N71 L72 C73 K88 D94 L95 F105 | N71-K90 CarbonylContact C-O 3.46Å; N71-K90 PolarHBondContact O-N 2.89Å; L72-K90 PolarHBondContact N-O 2.99Å; C73-K90 HydrophobicContact CB-CB 4.38Å; C73-K90 PolarHBondContact SG-O 3.43Å; K88-K90 PolarHBondContact O-N 3.25Å; K90-D94 HydrophobicContact CD-CB 4.4Å; K90-D94 IonicContact NZ-OD2 2.73Å; K90-D94 PolarHBondContact NZ-OD2 2.86Å; K90-L95 HydrophobicContact CG-CD1 4.14Å; K90-L95 HydrophobicContact CG-CD2 3.97Å; K90-L95 HydrophobicContact CG-CG 3.81Å; K90-F105 HydrophobicContact CB-CE1 4.34Å | ||
| 91 | D | 97.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | trans | -73.1 | 135.3 | 167.7 | -170.1 | -47.4 | 0 | 0 | 0 | 109.6 | M93 D94 L95 | D91-M93 PolarHBondContact O-N 3.46Å; D91-M93 WeakPolarHBondContact OD1-CA 3.42Å; D91-M93 WeakPolarHBondContact OD1-CB 3.42Å; D91-M93 PolarHBondContact OD1-N 3.02Å; D91-D94 HydrophobicContact CB-CB 4.28Å; D91-D94 WeakPolarHBondContact O-CB 3.47Å; D91-D94 PolarHBondContact O-N 2.99Å; D91-L95 PolarHBondContact O-N 3.32Å | ||
| 92 | I | 98.1 | Very high | 97 | Very high | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.2 | -31.2 | 179.4 | -160.4 | -179 | 0 | 0 | 0 | 112.3 | P10 S45 I47 L95 Y96 | P10-I92 HydrophobicContact CB-CD1 4.46Å; P10-I92 HydrophobicContact CB-CG2 4.16Å; P10-I92 HydrophobicContact CG-CG2 3.65Å; S45-I92 VanDerWaalsContact O-CD1 3.26Å; S45-I92 WeakPolarHBondContact O-CD1 3.47Å; I47-I92 HydrophobicContact CB-CD1 4.33Å; I47-I92 HydrophobicContact CG2-CD1 3.62Å; I47-I92 HydrophobicContact CG2-CG1 3.7Å; I92-L95 WeakPolarHBondContact O-CB 3.3Å; I92-L95 PolarHBondContact O-N 2.82Å; I92-Y96 PolarHBondContact O-N 2.88Å |
| 93 | M | 97.9 | Very high | 97.3 | Very high | 55 Ų | 55 | 64.3 Ų | 64.3 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -73.6 | -28.9 | 176.7 | -66.9 | -55.9 | -67.4 | 0 | 0 | 112.2 | P10 I47 D91 L95 Y96 N97 | P10-M93 VanDerWaalsContact CD-SD 3.57Å; P10-M93 HydrophobicContact CG-CG 4.17Å; P10-M93 HydrophobicContact CG-SD 3.52Å; P10-M93 VanDerWaalsContact CG-SD 3.52Å; I47-M93 HydrophobicContact CD1-CE 4.3Å; I47-M93 HydrophobicContact CD1-SD 3.6Å; D91-M93 PolarHBondContact O-N 3.46Å; D91-M93 WeakPolarHBondContact OD1-CA 3.42Å; D91-M93 WeakPolarHBondContact OD1-CB 3.42Å; D91-M93 PolarHBondContact OD1-N 3.02Å; M93-L95 VanDerWaalsContact C-N 3.26Å; M93-L95 PolarHBondContact O-N 3.5Å; M93-Y96 HydrophobicContact CE-CD1 3.53Å; M93-Y96 HydrophobicContact CE-CE1 3.98Å; M93-Y96 HydrophobicContact CE-CG 4.36Å; M93-Y96 PolarHBondContact O-N 2.74Å; M93-Y96 HydrophobicContact SD-CD1 4.21Å; M93-Y96 HydrophobicContact SD-CG 4.5Å; M93-N97 VanDerWaalsContact O-CB 3.3Å; M93-N97 WeakPolarHBondContact O-CB 3.07Å; M93-N97 VanDerWaalsContact O-CG 3.31Å; M93-N97 PolarHBondContact O-N 3.36Å; M93-N97 PolarHBondContact O-ND2 2.82Å |
| 94 | D | 97.8 | Very high | 97.4 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -37.8 | 170.1 | -80.1 | -0.7 | 0 | 0 | 0 | 111.5 | K90 D91 Q98 | K90-D94 HydrophobicContact CD-CB 4.4Å; K90-D94 IonicContact NZ-OD2 2.73Å; K90-D94 PolarHBondContact NZ-OD2 2.86Å; D91-D94 HydrophobicContact CB-CB 4.28Å; D91-D94 WeakPolarHBondContact O-CB 3.47Å; D91-D94 PolarHBondContact O-N 2.99Å; D94-Q98 WeakPolarHBondContact O-CG 3.41Å; D94-Q98 PolarHBondContact O-NE2 3.01Å |
| 95 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.4 | -43.5 | 177.3 | -66.4 | 171 | 0 | 0 | 0 | 111.2 | Y64 C73 K90 D91 I92 M93 N97 Q98 V102 F105 | Y64-L95 HydrophobicContact CD1-CB 3.92Å; Y64-L95 HydrophobicContact CD1-CD1 3.96Å; Y64-L95 HydrophobicContact CD1-CG 4.47Å; Y64-L95 HydrophobicContact CD2-CB 4.16Å; Y64-L95 HydrophobicContact CE1-CB 3.86Å; Y64-L95 HydrophobicContact CE1-CD1 4.41Å; Y64-L95 HydrophobicContact CE2-CB 4.09Å; Y64-L95 WeakPolarHBondContact CE2-O 3.45Å; Y64-L95 HydrophobicContact CG-CB 4.06Å; Y64-L95 HydrophobicContact CG-CD1 4.42Å; Y64-L95 PolarHBondContact OH-O 3.46Å; C73-L95 HydrophobicContact CB-CD1 3.82Å; K90-L95 HydrophobicContact CG-CD1 4.14Å; K90-L95 HydrophobicContact CG-CD2 3.97Å; K90-L95 HydrophobicContact CG-CG 3.81Å; D91-L95 PolarHBondContact O-N 3.32Å; I92-L95 WeakPolarHBondContact O-CB 3.3Å; I92-L95 PolarHBondContact O-N 2.82Å; M93-L95 VanDerWaalsContact C-N 3.26Å; M93-L95 PolarHBondContact O-N 3.5Å; L95-N97 VanDerWaalsContact C-N 3.29Å; L95-N97 PolarHBondContact O-N 3.05Å; L95-Q98 PolarHBondContact O-N 3.4Å; L95-V102 HydrophobicContact CD2-CB 4.05Å; L95-V102 HydrophobicContact CD2-CG1 4.21Å; L95-V102 HydrophobicContact CD2-CG2 3.97Å; L95-F105 HydrophobicContact CD1-CB 3.88Å; L95-F105 HydrophobicContact CD1-CD1 3.55Å; L95-F105 HydrophobicContact CD1-CE1 4.18Å; L95-F105 HydrophobicContact CD1-CG 3.81Å; L95-F105 HydrophobicContact CD2-CB 4.24Å; L95-F105 HydrophobicContact CD2-CD1 4.2Å; L95-F105 HydrophobicContact CD2-CD2 3.95Å; L95-F105 HydrophobicContact CD2-CE1 4.5Å; L95-F105 HydrophobicContact CD2-CE2 4.29Å; L95-F105 HydrophobicContact CD2-CG 3.88Å |
| 96 | Y | 97.6 | Very high | 97.6 | Very high | 16 Ų | 16 | 62.7 Ų | 62.7 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -37.3 | 177.9 | 171.7 | -103.1 | 0 | 0 | 0 | 112.8 | I47 S48 R50 I92 M93 Q98 | I47-Y96 HydrophobicContact CD1-CD1 3.96Å; I47-Y96 HydrophobicContact CD1-CD2 3.41Å; I47-Y96 VanDerWaalsContact CD1-CD2 3.41Å; I47-Y96 HydrophobicContact CD1-CE1 4.29Å; I47-Y96 HydrophobicContact CD1-CE2 3.81Å; I47-Y96 HydrophobicContact CD1-CG 3.5Å; I47-Y96 VanDerWaalsContact CD1-CG 3.5Å; I47-Y96 HydrophobicContact CG1-CD2 3.66Å; I47-Y96 HydrophobicContact CG1-CE2 4.03Å; I47-Y96 HydrophobicContact CG1-CG 4.22Å; I47-Y96 HydrophobicContact CG2-CD2 4.48Å; S48-Y96 WeakPolarHBondContact O-CD2 3.46Å; S48-Y96 WeakPolarHBondContact O-CE2 3.36Å; R50-Y96 HydrophobicContact CB-CE2 4.23Å; R50-Y96 PolarHBondContact NE-OH 3.22Å; R50-Y96 VanDerWaalsContact NH2-CZ 3.29Å; R50-Y96 PolarHBondContact NH2-OH 3.25Å; I92-Y96 PolarHBondContact O-N 2.88Å; M93-Y96 HydrophobicContact CE-CD1 3.53Å; M93-Y96 HydrophobicContact CE-CE1 3.98Å; M93-Y96 HydrophobicContact CE-CG 4.36Å; M93-Y96 PolarHBondContact O-N 2.74Å; M93-Y96 HydrophobicContact SD-CD1 4.21Å; M93-Y96 HydrophobicContact SD-CG 4.5Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å |
| 97 | N | 96.8 | Very high | 97.7 | Very high | 86 Ų | 86 | 58.4 Ų | 58.4 | 46% | 0.46 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.3 | -178.4 | -70.9 | -42.8 | 0 | 0 | 0 | 114.3 | M93 L95 | M93-N97 VanDerWaalsContact O-CB 3.3Å; M93-N97 WeakPolarHBondContact O-CB 3.07Å; M93-N97 VanDerWaalsContact O-CG 3.31Å; M93-N97 PolarHBondContact O-N 3.36Å; M93-N97 PolarHBondContact O-ND2 2.82Å; L95-N97 VanDerWaalsContact C-N 3.29Å; L95-N97 PolarHBondContact O-N 3.05Å |
| 98 | Q | 97.2 | Very high | 97.8 | Very high | 75 Ų | 75 | 57 Ų | 57 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | trans | -62.4 | 142.5 | 173.6 | -68.1 | -56.2 | -44.3 | 0 | 0 | 110.8 | H51 D94 L95 Y96 E100 V102 | H51-Q98 PolarHBondContact CD2-O 2.86Å; D94-Q98 WeakPolarHBondContact O-CG 3.41Å; D94-Q98 PolarHBondContact O-NE2 3.01Å; L95-Q98 PolarHBondContact O-N 3.4Å; Y96-Q98 VanDerWaalsContact C-N 3.34Å; Q98-E100 VanDerWaalsContact CB-O 3.31Å; Q98-E100 WeakPolarHBondContact CB-O 3.45Å; Q98-E100 PolarHBondContact O-N 3.04Å; Q98-V102 HydrophobicContact CB-CG2 3.98Å; Q98-V102 HydrophobicContact CG-CG2 3.54Å | ||
| 99 | P | 95.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 64% | 0.643 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -68.2 | -18.6 | 179 | 29.7 | -36 | 0 | 0 | 0 | 112.7 | H51 | H51-P99 PolarHBondContact CD2-O 2.96Š|
| 100 | E | 96.8 | Very high | 97.8 | Very high | 149 Ų | 149 | 47.8 Ų | 47.8 | 70% | 0.696 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -131.9 | 154.5 | 176.8 | -66.7 | -174.2 | 178.2 | 0 | 0 | 110.9 | Q98 V102 | Q98-E100 VanDerWaalsContact CB-O 3.31Å; Q98-E100 WeakPolarHBondContact CB-O 3.45Å; Q98-E100 PolarHBondContact O-N 3.04Å; E100-V102 PolarHBondContact O-N 2.87Å |
| 101 | P | 97.5 | Very high | 97.6 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | trans | -60.8 | 123.3 | 177 | -27.6 | 39.9 | 0 | 0 | 0 | 112.9 | H51 L55 K103 L106 | H51-P101 HydrophobicContact CB-CG 3.77Å; H51-P101 WeakPolarHBondContact O-CG 3.43Å; L55-P101 HydrophobicContact CD1-CB 4.38Å; L55-P101 HydrophobicContact CD1-CG 4.45Å; L55-P101 HydrophobicContact CD2-CB 4.02Å; L55-P101 HydrophobicContact CD2-CG 4.28Å; L55-P101 HydrophobicContact CG-CB 4.46Å; L55-P101 HydrophobicContact CG-CG 4.33Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 PolarHBondContact O-N 3.32Å; P101-L106 HydrophobicContact CB-CD1 3.61Å | ||
| 102 | V | 98.2 | Very high | 97.3 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 24% | 0.242 | 28% | 0.282 | C | S | . | . | trans | -82.7 | 81.9 | 172.2 | -163.5 | 0 | 0 | 0 | 0 | 109 | Y64 L95 Q98 E100 S104 F105 | Y64-V102 HydrophobicContact CE1-CB 4.25Å; Y64-V102 PolarHBondContact OH-N 3.39Å; L95-V102 HydrophobicContact CD2-CB 4.05Å; L95-V102 HydrophobicContact CD2-CG1 4.21Å; L95-V102 HydrophobicContact CD2-CG2 3.97Å; Q98-V102 HydrophobicContact CB-CG2 3.98Å; Q98-V102 HydrophobicContact CG-CG2 3.54Å; E100-V102 PolarHBondContact O-N 2.87Å; V102-S104 PolarHBondContact O-N 2.78Å; V102-F105 HydrophobicContact CB-CD2 4.34Å; V102-F105 HydrophobicContact CG1-CD2 3.57Å; V102-F105 HydrophobicContact CG1-CE2 4.11Å; V102-F105 PolarHBondContact O-N 3.14Å | ||
| 103 | K | 98.1 | Very high | 97 | Very high | 106 Ų | 106 | 54.8 Ų | 54.8 | 46% | 0.461 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -52.9 | -34 | -169.1 | -65.6 | -173.3 | 179.6 | -174.9 | 0 | 115 | L55 P101 F105 L106 V121 A122 | L55-K103 HydrophobicContact CD2-CG 4.36Å; P101-K103 VanDerWaalsContact C-N 3.32Å; P101-K103 PolarHBondContact O-N 3.32Å; K103-F105 PolarHBondContact O-N 3.46Å; K103-L106 PolarHBondContact O-N 2.68Å; K103-V121 HydrophobicContact CB-CG1 4.14Å; K103-V121 HydrophobicContact CD-CG1 4.44Å; K103-V121 HydrophobicContact CG-CG1 4.08Å; K103-A122 HydrophobicContact CB-CB 4.49Å; K103-A122 PolarHBondContact O-N 2.91Å |
| 104 | S | 98.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -65.1 | -19.2 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 114 | M75 C76 V102 | M75-S104 CarbonylContact C-O 3.54Å; M75-S104 WeakPolarHBondContact CA-O 3.35Å; C76-S104 PolarHBondContact N-O 3.02Å; V102-S104 PolarHBondContact O-N 2.78Å |
| 105 | F | 98.7 | Very high | 96.5 | Very high | 19 Ų | 19 | 62 Ų | 62 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -104.7 | -2 | 177.7 | -70 | -100.2 | 0 | 0 | 0 | 113.1 | Y64 C73 L74 M75 K88 K90 L95 V102 K103 | Y64-F105 HydrophobicContact CD1-CB 3.73Å; Y64-F105 WeakPolarHBondContact CD1-O 3.26Å; Y64-F105 HydrophobicContact CE1-CB 3.86Å; C73-F105 HydrophobicContact CB-CD1 3.82Å; C73-F105 HydrophobicContact CB-CE1 4Å; L74-F105 VanDerWaalsContact O-CD1 3.32Å; L74-F105 WeakPolarHBondContact O-CD1 3.31Å; M75-F105 HydrophobicContact CB-CD1 3.91Å; M75-F105 HydrophobicContact CB-CE1 3.76Å; M75-F105 HydrophobicContact CB-CE2 4.41Å; M75-F105 HydrophobicContact CB-CG 4.33Å; M75-F105 HydrophobicContact CB-CZ 4.02Å; M75-F105 HydrophobicContact CG-CD1 4.32Å; M75-F105 HydrophobicContact CG-CD2 4.09Å; M75-F105 HydrophobicContact CG-CE1 4.14Å; M75-F105 HydrophobicContact CG-CE2 3.88Å; M75-F105 HydrophobicContact CG-CG 4.33Å; M75-F105 HydrophobicContact CG-CZ 3.91Å; M75-F105 HydrophobicContact SD-CE2 4.05Å; M75-F105 HydrophobicContact SD-CZ 3.96Å; K88-F105 HydrophobicContact CB-CE1 3.86Å; K88-F105 HydrophobicContact CB-CZ 3.98Å; K88-F105 HydrophobicContact CG-CE1 4.24Å; K88-F105 HydrophobicContact CG-CZ 3.9Å; K90-F105 HydrophobicContact CB-CE1 4.34Å; L95-F105 HydrophobicContact CD1-CB 3.88Å; L95-F105 HydrophobicContact CD1-CD1 3.55Å; L95-F105 HydrophobicContact CD1-CE1 4.18Å; L95-F105 HydrophobicContact CD1-CG 3.81Å; L95-F105 HydrophobicContact CD2-CB 4.24Å; L95-F105 HydrophobicContact CD2-CD1 4.2Å; L95-F105 HydrophobicContact CD2-CD2 3.95Å; L95-F105 HydrophobicContact CD2-CE1 4.5Å; L95-F105 HydrophobicContact CD2-CE2 4.29Å; L95-F105 HydrophobicContact CD2-CG 3.88Å; V102-F105 HydrophobicContact CB-CD2 4.34Å; V102-F105 HydrophobicContact CG1-CD2 3.57Å; V102-F105 HydrophobicContact CG1-CE2 4.11Å; V102-F105 PolarHBondContact O-N 3.14Å; K103-F105 PolarHBondContact O-N 3.46Å |
| 106 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 142.1 | -175.6 | -76.2 | 172.2 | 0 | 0 | 0 | 111.7 | C49 L55 I63 Y64 P101 K103 V121 | C49-L106 HydrophobicContact CB-CD1 4.49Å; C49-L106 HydrophobicContact CB-CD2 3.81Å; L55-L106 HydrophobicContact CD1-CD1 3.98Å; I63-L106 WeakPolarHBondContact O-CA 3.25Å; I63-L106 WeakPolarHBondContact O-CD2 3.48Å; Y64-L106 HydrophobicContact CD1-CD2 3.55Å; Y64-L106 HydrophobicContact CD1-CG 3.94Å; Y64-L106 HydrophobicContact CD2-CD2 3.99Å; Y64-L106 HydrophobicContact CE1-CD1 4.28Å; Y64-L106 HydrophobicContact CE1-CD2 3.37Å; Y64-L106 HydrophobicContact CE1-CG 3.43Å; Y64-L106 VanDerWaalsContact CE1-CG 3.43Å; Y64-L106 HydrophobicContact CE2-CD2 3.85Å; Y64-L106 HydrophobicContact CG-CD2 3.86Å; P101-L106 HydrophobicContact CB-CD1 3.61Å; K103-L106 PolarHBondContact O-N 2.68Å; L106-V121 HydrophobicContact CB-CB 3.74Å; L106-V121 HydrophobicContact CB-CG1 4.3Å; L106-V121 HydrophobicContact CB-CG2 3.5Å; L106-V121 WeakPolarHBondContact O-CB 3.46Å; L106-V121 WeakPolarHBondContact O-CG2 3.3Å; L106-V121 PolarHBondContact O-N 2.93Å |
| 107 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 137.1 | 171.3 | -59.9 | -98.5 | 0 | 0 | 0 | 109.3 | P62 I63 L65 L74 C76 L85 H109 F118 E119 I128 L140 | P62-F107 CarbonylContact C-O 3.51Å; P62-F107 WeakPolarHBondContact CA-O 3.46Å; I63-F107 WeakPolarHBondContact CG1-O 3.46Å; I63-F107 PolarHBondContact N-O 2.57Å; I63-F107 PolarHBondContact O-N 2.97Å; L65-F107 HydrophobicContact CD1-CB 3.82Å; L65-F107 HydrophobicContact CD1-CD2 3.26Å; L65-F107 HydrophobicContact CD1-CE2 3.97Å; L65-F107 HydrophobicContact CD1-CG 3.66Å; L74-F107 HydrophobicContact CB-CE2 3.9Å; L74-F107 HydrophobicContact CB-CZ 4.18Å; C76-F107 WeakPolarHBondContact SG-CE1 3.41Å; C76-F107 WeakPolarHBondContact SG-CZ 3.4Å; L85-F107 HydrophobicContact CD1-CE1 4Å; L85-F107 HydrophobicContact CD1-CZ 3.58Å; F107-H109 PolarHBondContact O-N 3.46Å; F107-F118 HydrophobicContact CB-CB 4.24Å; F107-F118 HydrophobicContact CD1-CB 4.3Å; F107-E119 CarbonylContact C-O 3.49Å; F107-E119 WeakPolarHBondContact CA-O 3.44Å; F107-I128 HydrophobicContact CD1-CD1 3.79Å; F107-I128 HydrophobicContact CD1-CG1 3.91Å; F107-I128 HydrophobicContact CE1-CD1 3.59Å; F107-I128 HydrophobicContact CE1-CG1 3.61Å; F107-I128 HydrophobicContact CG-CD1 4.41Å; F107-I128 HydrophobicContact CZ-CD1 4.07Å; F107-I128 HydrophobicContact CZ-CG1 4.44Å; F107-L140 HydrophobicContact CE1-CD2 4.48Å |
| 108 | Y | 98.7 | Very high | 96.5 | Very high | 5 Ų | 5 | 58.6 Ų | 58.6 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 114.9 | 163.6 | -59.8 | -67.1 | 0 | 0 | 0 | 108.5 | L55 E56 R59 P62 F118 E119 V121 | L55-Y108 HydrophobicContact CB-CE1 4.31Å; E56-Y108 WeakPolarHBondContact CB-OH 3.35Å; E56-Y108 PolarHBondContact N-OH 2.96Å; R59-Y108 HydrophobicContact CB-CD1 4Å; R59-Y108 HydrophobicContact CB-CD2 3.79Å; R59-Y108 HydrophobicContact CB-CE1 4.33Å; R59-Y108 HydrophobicContact CB-CE2 4.13Å; R59-Y108 HydrophobicContact CB-CG 3.74Å; R59-Y108 WeakPolarHBondContact O-CB 3.4Å; P62-Y108 HydrophobicContact CB-CD1 4.18Å; P62-Y108 HydrophobicContact CB-CE1 4.27Å; P62-Y108 HydrophobicContact CG-CD1 3.87Å; P62-Y108 HydrophobicContact CG-CE1 3.81Å; Y108-F118 WeakPolarHBondContact O-CA 3.46Å; Y108-E119 PolarHBondContact N-O 3.04Å; Y108-E119 PolarHBondContact O-N 2.97Å; Y108-V121 HydrophobicContact CD1-CG2 4.12Å; Y108-V121 HydrophobicContact CD2-CG2 3.78Å; Y108-V121 HydrophobicContact CE1-CG2 3.97Å; Y108-V121 HydrophobicContact CE2-CB 4.21Å; Y108-V121 HydrophobicContact CE2-CG1 4.36Å; Y108-V121 HydrophobicContact CE2-CG2 3.63Å; Y108-V121 HydrophobicContact CG-CG2 4.01Å |
| 109 | H | 98.3 | Very high | 96.6 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 13% | 0.134 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.7 | 171.1 | 171.7 | -136.8 | 0 | 0 | 0 | 109.6 | G60 N61 I63 F107 S116 T117 F118 | G60-H109 CarbonylContact C-O 3.58Å; G60-H109 VanDerWaalsContact CA-O 3.29Å; G60-H109 WeakPolarHBondContact CA-O 2.97Å; N61-H109 PolarHBondContact N-O 3.16Å; N61-H109 PolarHBondContact O-N 2.89Å; I63-H109 HydrophobicContact CD1-CB 3.63Å; I63-H109 HydrophobicContact CG1-CB 3.85Å; I63-H109 HydrophobicContact CG2-CB 4.3Å; F107-H109 PolarHBondContact O-N 3.46Å; H109-S116 VanDerWaalsContact NE2-CB 3.35Å; H109-S116 WeakPolarHBondContact NE2-CB 3.35Å; H109-S116 PolarHBondContact NE2-OG 2.82Å; H109-T117 WeakPolarHBondContact CA-O 3.47Å; H109-F118 HydrophobicContact CB-CD1 4.17Å; H109-F118 HydrophobicContact CB-CE1 4.17Å; H109-F118 AromaticContact CD2-CE1 3.68Å |
| 110 | S | 96.7 | Very high | 96.7 | Very high | 52 Ų | 52 | 50.8 Ų | 50.8 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 140.1 | 172.2 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | S116 T117 | S110-S116 CarbonylContact O-C 3.56Å; S110-S116 VanDerWaalsContact O-CA 3.26Å; S110-S116 WeakPolarHBondContact O-CA 3.42Å; S110-T117 PolarHBondContact N-O 3.48Å; S110-T117 VanDerWaalsContact N-O 3.16Å; S110-T117 PolarHBondContact O-N 3.16Å |
| 111 | Q | 94.4 | Very high | 96.8 | Very high | 130 Ų | 130 | 44.3 Ų | 44.3 | 61% | 0.607 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.3 | 178.8 | -174.6 | 176.6 | -4.8 | 0 | 0 | 110.2 | G113 N115 | Q111-G113 WeakPolarHBondContact CG-O 3.4Å; Q111-G113 PolarHBondContact NE2-O 2.73Å; Q111-N115 CarbonylContact C-O 3.46Å; Q111-N115 WeakPolarHBondContact CA-O 3.48Å |
| 112 | S | 91.7 | Very high | 96.8 | Very high | 97 Ų | 97 | 45.1 Ų | 45.1 | 68% | 0.678 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 104.3 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 109 | R114 N115 | S112-R114 PolarHBondContact O-N 3.3Å; S112-R114 VanDerWaalsContact O-N 3.16Å; S112-N115 PolarHBondContact N-O 3.01Å; S112-N115 PolarHBondContact O-N 2.92Å |
| 113 | G | 92.3 | Very high | 96.8 | Very high | 63 Ų | 63 | 45.6 Ų | 45.6 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | -116.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q111 | Q111-G113 WeakPolarHBondContact CG-O 3.4Å; Q111-G113 PolarHBondContact NE2-O 2.73Å |
| 114 | R | 90.4 | Very high | 96.7 | Very high | 220 Ų | 220 | 43.6 Ų | 43.6 | 83% | 0.83 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -9.6 | 178 | -67.6 | -173.6 | -69 | -177.5 | -1.4 | 113.6 | S112 | S112-R114 PolarHBondContact O-N 3.3Å; S112-R114 VanDerWaalsContact O-N 3.16Å |
| 115 | N | 93.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 43.1 Ų | 43.1 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.3 | -175.5 | -64.9 | 3.2 | 0 | 0 | 0 | 109.8 | Q111 S112 D151 F152 | Q111-N115 CarbonylContact C-O 3.46Å; Q111-N115 WeakPolarHBondContact CA-O 3.48Å; S112-N115 PolarHBondContact N-O 3.01Å; S112-N115 PolarHBondContact O-N 2.92Å; N115-D151 HydrophobicContact CB-CB 4.19Å; N115-D151 WeakPolarHBondContact CB-OD1 3.26Å; N115-D151 PolarHBondContact ND2-OD1 3.23Å; N115-F152 CarbonylContact C-O 3.58Å |
| 116 | S | 97 | Very high | 96.6 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141 | 172.4 | -64.5 | 0 | 0 | 0 | 0 | 109.8 | H109 S110 F152 | H109-S116 VanDerWaalsContact NE2-CB 3.35Å; H109-S116 WeakPolarHBondContact NE2-CB 3.35Å; H109-S116 PolarHBondContact NE2-OG 2.82Å; S110-S116 CarbonylContact O-C 3.56Å; S110-S116 VanDerWaalsContact O-CA 3.26Å; S110-S116 WeakPolarHBondContact O-CA 3.42Å; S116-F152 WeakPolarHBondContact CB-O 3.29Å; S116-F152 PolarHBondContact N-O 3.2Å; S116-F152 PolarHBondContact O-N 3.32Å |
| 117 | T | 97.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.1 | 170 | 62 | 0 | 0 | 0 | 0 | 109.6 | H109 S110 | H109-T117 WeakPolarHBondContact CA-O 3.47Å; S110-T117 PolarHBondContact N-O 3.48Å; S110-T117 VanDerWaalsContact N-O 3.16Å; S110-T117 PolarHBondContact O-N 3.16Å |
| 118 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 101.4 | 179.1 | -57.1 | -78 | 0 | 0 | 0 | 109.2 | I15 I63 L65 F107 Y108 H109 F127 I128 F152 L154 | I15-F118 HydrophobicContact CD1-CE2 4.38Å; I15-F118 HydrophobicContact CD1-CZ 4.27Å; I63-F118 HydrophobicContact CD1-CD1 4.05Å; I63-F118 HydrophobicContact CD1-CE1 3.79Å; L65-F118 HydrophobicContact CD1-CD1 4.31Å; L65-F118 HydrophobicContact CD2-CD1 4.15Å; L65-F118 HydrophobicContact CD2-CE1 3.94Å; L65-F118 HydrophobicContact CD2-CZ 4.28Å; F107-F118 HydrophobicContact CB-CB 4.24Å; F107-F118 HydrophobicContact CD1-CB 4.3Å; Y108-F118 WeakPolarHBondContact O-CA 3.46Å; H109-F118 HydrophobicContact CB-CD1 4.17Å; H109-F118 HydrophobicContact CB-CE1 4.17Å; H109-F118 AromaticContact CD2-CE1 3.68Å; F118-F127 CarbonylContact O-C 3.47Å; F118-F127 VanDerWaalsContact O-CA 3.3Å; F118-F127 WeakPolarHBondContact O-CA 3.45Å; F118-I128 HydrophobicContact CB-CB 4.17Å; F118-I128 HydrophobicContact CB-CD1 3.76Å; F118-I128 HydrophobicContact CB-CG1 3.98Å; F118-I128 HydrophobicContact CG-CD1 4.32Å; F118-I128 PolarHBondContact O-N 2.9Å; F118-F152 AromaticContact CD2-CD2 3.75Å; F118-F152 HydrophobicContact CD2-CD2 3.75Å; F118-F152 HydrophobicContact CD2-CE2 4.18Å; F118-F152 HydrophobicContact CE2-CB 4.23Å; F118-F152 AromaticContact CE2-CD2 3.83Å; F118-F152 HydrophobicContact CE2-CD2 3.83Å; F118-F152 HydrophobicContact CE2-CG 4.25Å; F118-L154 HydrophobicContact CE2-CD1 4.31Å; F118-L154 HydrophobicContact CZ-CD1 3.98Å; F118-L154 HydrophobicContact CZ-CD2 4.11Å |
| 119 | E | 98.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.6 | 177.9 | -164.5 | -170.6 | 161 | 0 | 0 | 110.7 | R59 F107 Y108 V121 G125 W126 F127 | R59-E119 IonicContact CZ-OE1 3.7Å; R59-E119 IonicContact CZ-OE2 3.7Å; R59-E119 VanDerWaalsContact CZ-OE2 3.3Å; R59-E119 IonicContact NE-OE1 3.74Å; R59-E119 IonicContact NE-OE2 3.46Å; R59-E119 PolarHBondContact NE-OE2 2.91Å; R59-E119 IonicContact NH1-OE1 2.76Å; R59-E119 PolarHBondContact NH1-OE1 3.1Å; R59-E119 IonicContact NH2-OE1 3.3Å; R59-E119 PolarHBondContact NH2-OE1 3.21Å; R59-E119 IonicContact NH2-OE2 2.91Å; R59-E119 PolarHBondContact NH2-OE2 2.9Å; F107-E119 CarbonylContact C-O 3.49Å; F107-E119 WeakPolarHBondContact CA-O 3.44Å; Y108-E119 PolarHBondContact N-O 3.04Å; Y108-E119 PolarHBondContact O-N 2.97Å; E119-V121 PolarHBondContact O-N 2.84Å; E119-G125 WeakPolarHBondContact OE1-CA 3.45Å; E119-G125 PolarHBondContact OE1-N 3.44Å; E119-W126 CarbonylContact C-O 3.55Å; E119-F127 HydrophobicContact CB-CD1 3.77Å; E119-F127 HydrophobicContact CB-CE1 3.54Å; E119-F127 HydrophobicContact CB-CG 4.49Å; E119-F127 HydrophobicContact CB-CZ 4.08Å; E119-F127 HydrophobicContact CG-CD1 4.04Å; E119-F127 HydrophobicContact CG-CD2 4.4Å; E119-F127 HydrophobicContact CG-CE1 3.7Å; E119-F127 HydrophobicContact CG-CE2 4.07Å; E119-F127 HydrophobicContact CG-CG 4.38Å; E119-F127 HydrophobicContact CG-CZ 3.7Å |
| 120 | S | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 128.5 | 175.2 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | C76 A122 F123 W126 | C76-S120 PolarHBondContact SG-OG 3.04Å; S120-A122 PolarHBondContact OG-N 3.36Å; S120-F123 CarbonylContact O-C 3.57Å; S120-F123 PolarHBondContact OG-N 3.04Å; S120-W126 WeakPolarHBondContact CB-O 3.48Å; S120-W126 PolarHBondContact N-O 2.76Å |
| 121 | V | 98.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -72.8 | -37.8 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | L55 K103 L106 Y108 E119 F123 | L55-V121 HydrophobicContact CD2-CG1 3.93Å; K103-V121 HydrophobicContact CB-CG1 4.14Å; K103-V121 HydrophobicContact CD-CG1 4.44Å; K103-V121 HydrophobicContact CG-CG1 4.08Å; L106-V121 HydrophobicContact CB-CB 3.74Å; L106-V121 HydrophobicContact CB-CG1 4.3Å; L106-V121 HydrophobicContact CB-CG2 3.5Å; L106-V121 WeakPolarHBondContact O-CB 3.46Å; L106-V121 WeakPolarHBondContact O-CG2 3.3Å; L106-V121 PolarHBondContact O-N 2.93Å; Y108-V121 HydrophobicContact CD1-CG2 4.12Å; Y108-V121 HydrophobicContact CD2-CG2 3.78Å; Y108-V121 HydrophobicContact CE1-CG2 3.97Å; Y108-V121 HydrophobicContact CE2-CB 4.21Å; Y108-V121 HydrophobicContact CE2-CG1 4.36Å; Y108-V121 HydrophobicContact CE2-CG2 3.63Å; Y108-V121 HydrophobicContact CG-CG2 4.01Å; E119-V121 PolarHBondContact O-N 2.84Å; V121-F123 VanDerWaalsContact C-N 3.32Å |
| 122 | A | 97.8 | Very high | 95.3 | Very high | 36 Ų | 36 | 39 Ų | 39 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -73.9 | -23.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K103 S120 | K103-A122 HydrophobicContact CB-CB 4.49Å; K103-A122 PolarHBondContact O-N 2.91Å; S120-A122 PolarHBondContact OG-N 3.36Å |
| 123 | F | 97.6 | Very high | 94.4 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -134 | 79.1 | -178.3 | -56.2 | -84.7 | 0 | 0 | 0 | 109.9 | C76 K78 P83 S120 V121 G125 W126 | C76-F123 HydrophobicContact CB-CD2 3.59Å; C76-F123 HydrophobicContact CB-CE2 3.67Å; K78-F123 HydrophobicContact CB-CE1 4.19Å; K78-F123 HydrophobicContact CB-CZ 3.99Å; P83-F123 HydrophobicContact CB-CB 4.09Å; P83-F123 HydrophobicContact CB-CD1 3.71Å; P83-F123 HydrophobicContact CB-CD2 3.63Å; P83-F123 HydrophobicContact CB-CE1 3.98Å; P83-F123 HydrophobicContact CB-CE2 3.92Å; P83-F123 HydrophobicContact CB-CG 3.52Å; P83-F123 HydrophobicContact CB-CZ 4.09Å; P83-F123 HydrophobicContact CG-CB 4.03Å; P83-F123 HydrophobicContact CG-CD1 4.14Å; P83-F123 HydrophobicContact CG-CD2 4.49Å; P83-F123 HydrophobicContact CG-CG 3.97Å; S120-F123 CarbonylContact O-C 3.57Å; S120-F123 PolarHBondContact OG-N 3.04Å; V121-F123 VanDerWaalsContact C-N 3.32Å; F123-G125 PolarHBondContact O-N 3.07Å; F123-W126 HydrophobicContact CB-CB 4.25Å; F123-W126 HydrophobicContact CB-CG 4.19Å; F123-W126 VanDerWaalsContact O-CB 3.31Å; F123-W126 WeakPolarHBondContact O-CB 3.41Å; F123-W126 PolarHBondContact O-N 3.37Å; F123-W126 VanDerWaalsContact O-N 3.14Å |
| 124 | P | 96.1 | Very high | 93.2 | Very high | 65 Ų | 65 | 40.4 Ų | 40.4 | 42% | 0.422 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 137.4 | 177.8 | -33.1 | 39.5 | 0 | 0 | 0 | 113.7 | W126 | P124-W126 VanDerWaalsContact C-N 3.3Š|
| 125 | G | 96.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 32.1 Ų | 32.1 | 23% | 0.227 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -4.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E119 F123 F127 Q142 | E119-G125 WeakPolarHBondContact OE1-CA 3.45Å; E119-G125 PolarHBondContact OE1-N 3.44Å; F123-G125 PolarHBondContact O-N 3.07Å; G125-F127 WeakPolarHBondContact O-CD2 3.17Å; G125-F127 WeakPolarHBondContact O-CE2 3.16Å; G125-Q142 WeakPolarHBondContact O-CA 3.31Å |
| 126 | W | 97.7 | Very high | 91.8 | Very high | 33 Ų | 33 | 30.9 Ų | 30.9 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | trans | -100.4 | 124 | 178.1 | -69.7 | 81.6 | 0 | 0 | 0 | 111.4 | Q82 P83 E119 S120 F123 P124 L140 T141 Q142 | Q82-W126 HydrophobicContact CB-CH2 4.03Å; Q82-W126 HydrophobicContact CG-CH2 3.93Å; Q82-W126 HydrophobicContact CG-CZ2 4.36Å; P83-W126 VanDerWaalsContact CD-CE2 3.46Å; P83-W126 VanDerWaalsContact CD-CZ2 3.47Å; P83-W126 HydrophobicContact CG-CB 4.31Å; P83-W126 HydrophobicContact CG-CD2 3.28Å; P83-W126 VanDerWaalsContact CG-CE2 3.46Å; P83-W126 HydrophobicContact CG-CE3 3.67Å; P83-W126 HydrophobicContact CG-CG 3.6Å; P83-W126 HydrophobicContact CG-CH2 4.3Å; P83-W126 HydrophobicContact CG-CZ2 3.99Å; P83-W126 HydrophobicContact CG-CZ3 4.14Å; E119-W126 CarbonylContact C-O 3.55Å; S120-W126 WeakPolarHBondContact CB-O 3.48Å; S120-W126 PolarHBondContact N-O 2.76Å; F123-W126 HydrophobicContact CB-CB 4.25Å; F123-W126 HydrophobicContact CB-CG 4.19Å; F123-W126 VanDerWaalsContact O-CB 3.31Å; F123-W126 WeakPolarHBondContact O-CB 3.41Å; F123-W126 PolarHBondContact O-N 3.37Å; F123-W126 VanDerWaalsContact O-N 3.14Å; P124-W126 VanDerWaalsContact C-N 3.3Å; W126-L140 HydrophobicContact CB-CB 4.32Å; W126-L140 HydrophobicContact CD2-CB 4.5Å; W126-L140 HydrophobicContact CE3-CB 3.68Å; W126-L140 HydrophobicContact CZ3-CB 4.41Å; W126-L140 WeakPolarHBondContact CZ3-O 3.33Å; W126-T141 CarbonylContact C-O 3.35Å; W126-T141 WeakPolarHBondContact CA-O 3.44Å; W126-Q142 HydrophobicContact CD2-CG 3.47Å; W126-Q142 VanDerWaalsContact CD2-CG 3.47Å; W126-Q142 HydrophobicContact CE3-CG 3.93Å; W126-Q142 HydrophobicContact CG-CG 3.87Å; W126-Q142 HydrophobicContact CH2-CG 4.16Å; W126-Q142 HydrophobicContact CZ2-CG 3.69Å; W126-Q142 HydrophobicContact CZ3-CG 4.27Å; W126-Q142 VanDerWaalsContact NE1-CD 3.33Å | ||
| 127 | F | 98 | Very high | 91.6 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.2 | -176 | -63.2 | -99.1 | 0 | 0 | 0 | 111 | F118 E119 G125 A129 L140 T141 L144 T150 | F118-F127 CarbonylContact O-C 3.47Å; F118-F127 VanDerWaalsContact O-CA 3.3Å; F118-F127 WeakPolarHBondContact O-CA 3.45Å; E119-F127 HydrophobicContact CB-CD1 3.77Å; E119-F127 HydrophobicContact CB-CE1 3.54Å; E119-F127 HydrophobicContact CB-CG 4.49Å; E119-F127 HydrophobicContact CB-CZ 4.08Å; E119-F127 HydrophobicContact CG-CD1 4.04Å; E119-F127 HydrophobicContact CG-CD2 4.4Å; E119-F127 HydrophobicContact CG-CE1 3.7Å; E119-F127 HydrophobicContact CG-CE2 4.07Å; E119-F127 HydrophobicContact CG-CG 4.38Å; E119-F127 HydrophobicContact CG-CZ 3.7Å; G125-F127 WeakPolarHBondContact O-CD2 3.17Å; G125-F127 WeakPolarHBondContact O-CE2 3.16Å; F127-A129 PolarHBondContact O-N 3.28Å; F127-L140 CarbonylContact O-C 3.57Å; F127-L140 VanDerWaalsContact O-CA 3.26Å; F127-L140 WeakPolarHBondContact O-CA 3.38Å; F127-T141 PolarHBondContact N-O 3.03Å; F127-T141 PolarHBondContact O-N 2.86Å; F127-L144 HydrophobicContact CB-CD2 4.31Å; F127-L144 HydrophobicContact CD1-CD2 4.33Å; F127-L144 HydrophobicContact CD2-CD1 4.36Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CD2-CG 4.21Å; F127-L144 HydrophobicContact CE2-CD1 3.84Å; F127-L144 HydrophobicContact CE2-CD2 3.93Å; F127-L144 HydrophobicContact CE2-CG 4.14Å; F127-L144 HydrophobicContact CG-CD2 3.81Å; F127-L144 HydrophobicContact CZ-CD1 4.01Å; F127-L144 HydrophobicContact CZ-CD2 4.43Å; F127-T150 HydrophobicContact CB-CG2 3.92Å |
| 128 | I | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 131.6 | 165.3 | -60.5 | -178.8 | 0 | 0 | 0 | 108 | W23 L74 L85 F107 F118 I139 L140 F152 | W23-I128 HydrophobicContact CH2-CD1 4.38Å; W23-I128 HydrophobicContact CH2-CG2 3.99Å; W23-I128 HydrophobicContact CZ2-CG2 3.92Å; L74-I128 HydrophobicContact CD2-CD1 3.77Å; L85-I128 HydrophobicContact CD1-CD1 4.42Å; L85-I128 HydrophobicContact CD1-CG1 4.36Å; L85-I128 HydrophobicContact CD2-CD1 4.32Å; L85-I128 HydrophobicContact CD2-CG1 4.17Å; L85-I128 HydrophobicContact CD2-CG2 4.11Å; F107-I128 HydrophobicContact CD1-CD1 3.79Å; F107-I128 HydrophobicContact CD1-CG1 3.91Å; F107-I128 HydrophobicContact CE1-CD1 3.59Å; F107-I128 HydrophobicContact CE1-CG1 3.61Å; F107-I128 HydrophobicContact CG-CD1 4.41Å; F107-I128 HydrophobicContact CZ-CD1 4.07Å; F107-I128 HydrophobicContact CZ-CG1 4.44Å; F118-I128 HydrophobicContact CB-CB 4.17Å; F118-I128 HydrophobicContact CB-CD1 3.76Å; F118-I128 HydrophobicContact CB-CG1 3.98Å; F118-I128 HydrophobicContact CG-CD1 4.32Å; F118-I128 PolarHBondContact O-N 2.9Å; I128-I139 CarbonylContact C-O 3.54Å; I128-I139 WeakPolarHBondContact CA-O 3.41Å; I128-L140 HydrophobicContact CG1-CD2 4.22Å; I128-F152 HydrophobicContact CB-CE2 4.49Å; I128-F152 HydrophobicContact CG2-CE2 4.28Å; I128-F152 HydrophobicContact CG2-CZ 4.19Å; I128-F152 WeakPolarHBondContact O-CE2 3.4Å |
| 129 | A | 96.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 160.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F127 I139 T141 N148 T149 T150 | F127-A129 PolarHBondContact O-N 3.28Å; A129-I139 HydrophobicContact CB-CG1 4.16Å; A129-I139 PolarHBondContact N-O 2.72Å; A129-I139 PolarHBondContact O-N 2.91Å; A129-T141 HydrophobicContact CB-CG2 3.45Å; A129-T141 VanDerWaalsContact CB-CG2 3.45Å; A129-N148 HydrophobicContact CB-CB 4.07Å; A129-T149 CarbonylContact C-O 3.56Å; A129-T149 WeakPolarHBondContact CA-O 3.28Å; A129-T149 WeakPolarHBondContact CB-O 3.25Å; A129-T150 HydrophobicContact CB-CG2 3.77Å |
| 130 | V | 94.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -109.1 | 126.2 | 169.6 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | R21 A32 L138 N148 T149 F152 | R21-V130 VanDerWaalsContact NH2-CG1 3.34Å; A32-V130 HydrophobicContact CB-CB 4.18Å; A32-V130 HydrophobicContact CB-CG1 3.42Å; A32-V130 VanDerWaalsContact CB-CG1 3.42Å; A32-V130 HydrophobicContact CB-CG2 3.61Å; V130-L138 HydrophobicContact CG2-CD2 3.66Å; V130-N148 WeakPolarHBondContact O-CA 3.45Å; V130-T149 PolarHBondContact N-O 3.47Å; V130-T149 PolarHBondContact O-N 2.85Å; V130-F152 HydrophobicContact CG2-CE1 3.83Å; V130-F152 HydrophobicContact CG2-CZ 4.22Å |
| 131 | S | 89.8 | Confident | 91.1 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | trans | -60.8 | 148 | 173.2 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | R21 E133 G134 N148 | R21-S131 PolarHBondContact NH1-O 2.74Å; S131-E133 PolarHBondContact O-N 2.9Å; S131-E133 PolarHBondContact OG-N 3.17Å; S131-G134 PolarHBondContact O-N 2.89Å; S131-N148 WeakPolarHBondContact CA-OD1 3.31Å | ||
| 132 | S | 81.9 | Confident | 90.9 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 113 | G134 A147 | S132-G134 PolarHBondContact O-N 3.35Å; S132-A147 WeakPolarHBondContact CB-O 3.48Å |
| 133 | E | 73.8 | Confident | 90.5 | Very high | 164 Ų | 164 | 43.2 Ų | 43.2 | 77% | 0.766 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.3 | -175 | -64.2 | -179.8 | 178.2 | 0 | 0 | 113 | S131 | S131-E133 PolarHBondContact O-N 2.9Å; S131-E133 PolarHBondContact OG-N 3.17Å |
| 134 | G | 66.8 | Low | 89.9 | Confident | 26 Ų | 26 | 45 Ų | 45 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 68.4 | 154.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S131 S132 C136 | S131-G134 PolarHBondContact O-N 2.89Å; S132-G134 PolarHBondContact O-N 3.35Å; G134-C136 PolarHBondContact O-N 3.19Å; G134-C136 PolarHBondContact O-SG 3.09Å |
| 135 | G | 71.5 | Confident | 89 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 46% | 0.464 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 67.2 | -0 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A32 | A32-G135 PolarHBondContact O-N 2.74Å; A32-G135 VanDerWaalsContact O-N 3.1Å |
| 136 | C | 82.5 | Confident | 88.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -80.7 | 158.8 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | A32 G134 | A32-C136 PolarHBondContact N-O 2.87Å; G134-C136 PolarHBondContact O-N 3.19Å; G134-C136 PolarHBondContact O-SG 3.09Å |
| 137 | P | 93.3 | Very high | 87.7 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -51.2 | 150.4 | 165.1 | -25.9 | 35.6 | 0 | 0 | 0 | 112.3 | I29 L30 | I29-P137 HydrophobicContact CG2-CB 3.68Å; I29-P137 HydrophobicContact CG2-CG 3.88Å; L30-P137 CarbonylContact O-C 3.49Å; L30-P137 WeakPolarHBondContact O-CA 3.21Å |
| 138 | L | 95.5 | Very high | 87.4 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 139 | 162 | -63.2 | -177.9 | 0 | 0 | 0 | 109.3 | W23 L30 A32 L85 V130 | W23-L138 HydrophobicContact CD2-CD1 3.52Å; W23-L138 HydrophobicContact CD2-CD2 4.49Å; W23-L138 HydrophobicContact CE3-CD1 3.72Å; W23-L138 HydrophobicContact CG-CD1 4.03Å; W23-L138 HydrophobicContact CH2-CD1 4.05Å; W23-L138 HydrophobicContact CZ2-CD1 3.86Å; W23-L138 HydrophobicContact CZ2-CD2 4.48Å; W23-L138 HydrophobicContact CZ3-CD1 3.97Å; L30-L138 HydrophobicContact CB-CD1 3.61Å; L30-L138 HydrophobicContact CB-CG 3.97Å; L30-L138 HydrophobicContact CD1-CD1 3.89Å; L30-L138 HydrophobicContact CG-CD1 4.4Å; L30-L138 PolarHBondContact O-N 3.42Å; A32-L138 HydrophobicContact CB-CD2 4.05Å; L85-L138 HydrophobicContact CD2-CB 3.76Å; L85-L138 HydrophobicContact CD2-CD1 4.42Å; V130-L138 HydrophobicContact CG2-CD2 3.66Å |
| 139 | I | 94.7 | Very high | 87.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 172.5 | -176.9 | 60.9 | 170.2 | 0 | 0 | 0 | 110.9 | I128 A129 | I128-I139 CarbonylContact C-O 3.54Å; I128-I139 WeakPolarHBondContact CA-O 3.41Å; A129-I139 HydrophobicContact CB-CG1 4.16Å; A129-I139 PolarHBondContact N-O 2.72Å; A129-I139 PolarHBondContact O-N 2.91Å |
| 140 | L | 96.4 | Very high | 87.2 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 141 | 161.7 | -65.9 | 172.1 | 0 | 0 | 0 | 109 | C76 P83 L85 F107 W126 F127 I128 | C76-L140 HydrophobicContact CB-CD1 4.2Å; P83-L140 HydrophobicContact CB-CD1 3.81Å; P83-L140 HydrophobicContact CG-CD1 4.13Å; L85-L140 HydrophobicContact CB-CG 4.16Å; L85-L140 HydrophobicContact CD1-CD2 4.46Å; F107-L140 HydrophobicContact CE1-CD2 4.48Å; W126-L140 HydrophobicContact CB-CB 4.32Å; W126-L140 HydrophobicContact CD2-CB 4.5Å; W126-L140 HydrophobicContact CE3-CB 3.68Å; W126-L140 HydrophobicContact CZ3-CB 4.41Å; W126-L140 WeakPolarHBondContact CZ3-O 3.33Å; F127-L140 CarbonylContact O-C 3.57Å; F127-L140 VanDerWaalsContact O-CA 3.26Å; F127-L140 WeakPolarHBondContact O-CA 3.38Å; I128-L140 HydrophobicContact CG1-CD2 4.22Å |
| 141 | T | 95.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 150.5 | 176.2 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | W126 F127 A129 E143 N148 T150 | W126-T141 CarbonylContact C-O 3.35Å; W126-T141 WeakPolarHBondContact CA-O 3.44Å; F127-T141 PolarHBondContact N-O 3.03Å; F127-T141 PolarHBondContact O-N 2.86Å; A129-T141 HydrophobicContact CB-CG2 3.45Å; A129-T141 VanDerWaalsContact CB-CG2 3.45Å; T141-E143 PolarHBondContact OG1-N 2.92Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 PolarHBondContact OG1-ND2 3.16Å; T141-T150 HydrophobicContact CG2-CG2 3.8Å |
| 142 | Q | 94.8 | Very high | 87.6 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 54% | 0.537 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -97.3 | -8.6 | 165.9 | -56.7 | -175.7 | -75 | 0 | 0 | 112.3 | G125 W126 L144 | G125-Q142 WeakPolarHBondContact O-CA 3.31Å; W126-Q142 HydrophobicContact CD2-CG 3.47Å; W126-Q142 VanDerWaalsContact CD2-CG 3.47Å; W126-Q142 HydrophobicContact CE3-CG 3.93Å; W126-Q142 HydrophobicContact CG-CG 3.87Å; W126-Q142 HydrophobicContact CH2-CG 4.16Å; W126-Q142 HydrophobicContact CZ2-CG 3.69Å; W126-Q142 HydrophobicContact CZ3-CG 4.27Å; W126-Q142 VanDerWaalsContact NE1-CD 3.33Å; Q142-L144 PolarHBondContact O-N 2.95Å |
| 143 | E | 89.8 | Confident | 88.3 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | trans | -90.5 | 88.5 | -174.8 | -56.1 | -157.8 | 130.4 | 0 | 0 | 111.8 | T141 K146 | T141-E143 PolarHBondContact OG1-N 2.92Å; E143-K146 HydrophobicContact CB-CB 4.35Å; E143-K146 HydrophobicContact CB-CD 3.97Å; E143-K146 HydrophobicContact CB-CG 4.25Å; E143-K146 HydrophobicContact CG-CD 4.36Å; E143-K146 IonicContact OE1-NZ 2.75Å; E143-K146 PolarHBondContact OE1-NZ 3.32Å | ||
| 144 | L | 83.8 | Confident | 89.4 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 46% | 0.461 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 140.3 | 174.7 | -59.9 | -178.5 | 0 | 0 | 0 | 111.6 | F127 Q142 K146 T150 | F127-L144 HydrophobicContact CB-CD2 4.31Å; F127-L144 HydrophobicContact CD1-CD2 4.33Å; F127-L144 HydrophobicContact CD2-CD1 4.36Å; F127-L144 HydrophobicContact CD2-CD2 3.58Å; F127-L144 HydrophobicContact CD2-CG 4.21Å; F127-L144 HydrophobicContact CE2-CD1 3.84Å; F127-L144 HydrophobicContact CE2-CD2 3.93Å; F127-L144 HydrophobicContact CE2-CG 4.14Å; F127-L144 HydrophobicContact CG-CD2 3.81Å; F127-L144 HydrophobicContact CZ-CD1 4.01Å; F127-L144 HydrophobicContact CZ-CD2 4.43Å; Q142-L144 PolarHBondContact O-N 2.95Å; L144-K146 PolarHBondContact O-N 3.33Å; L144-T150 HydrophobicContact CD2-CG2 3.8Å |
| 145 | G | 77.9 | Confident | 90.7 | Very high | 79 Ų | 79 | 49 Ų | 49 | 81% | 0.814 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 15.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 146 | K | 82.5 | Confident | 91.7 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -102.9 | -137 | 176 | -56.8 | -163.5 | -162.4 | 170.1 | 0 | 110.9 | E143 L144 N148 | E143-K146 HydrophobicContact CB-CB 4.35Å; E143-K146 HydrophobicContact CB-CD 3.97Å; E143-K146 HydrophobicContact CB-CG 4.25Å; E143-K146 HydrophobicContact CG-CD 4.36Å; E143-K146 IonicContact OE1-NZ 2.75Å; E143-K146 PolarHBondContact OE1-NZ 3.32Å; L144-K146 PolarHBondContact O-N 3.33Å; K146-N148 VanDerWaalsContact C-N 3.32Å; K146-N148 PolarHBondContact O-N 2.81Å |
| 147 | A | 85.4 | Confident | 92.1 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 50% | 0.504 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68 | -30.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S132 | S132-A147 WeakPolarHBondContact CB-O 3.48Š|
| 148 | N | 91.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.139 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -89 | 139.5 | -176.8 | -64.1 | -28.5 | 0 | 0 | 0 | 111.5 | A129 V130 S131 T141 K146 | A129-N148 HydrophobicContact CB-CB 4.07Å; V130-N148 WeakPolarHBondContact O-CA 3.45Å; S131-N148 WeakPolarHBondContact CA-OD1 3.31Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 PolarHBondContact OG1-ND2 3.16Å; K146-N148 VanDerWaalsContact C-N 3.32Å; K146-N148 PolarHBondContact O-N 2.81Å |
| 149 | T | 93.8 | Very high | 91.2 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | B | Isolated β-bridge | trans | -91.5 | 121.4 | 176.1 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | D17 I18 N19 R21 A129 V130 | D17-T149 HydrophobicContact CB-CG2 3.82Å; I18-T149 HydrophobicContact CD1-CG2 4.24Å; I18-T149 HydrophobicContact CG1-CG2 3.69Å; N19-T149 PolarHBondContact ND2-OG1 3.28Å; R21-T149 PolarHBondContact NH2-OG1 3.31Å; A129-T149 CarbonylContact C-O 3.56Å; A129-T149 WeakPolarHBondContact CA-O 3.28Å; A129-T149 WeakPolarHBondContact CB-O 3.25Å; V130-T149 PolarHBondContact N-O 3.47Å; V130-T149 PolarHBondContact O-N 2.85Å |
| 150 | T | 95.9 | Very high | 91 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 4% | 0.037 | 35% | 0.352 | C | S | . | . | trans | -112.1 | -7.5 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | F127 A129 T141 L144 F152 | F127-T150 HydrophobicContact CB-CG2 3.92Å; A129-T150 HydrophobicContact CB-CG2 3.77Å; T141-T150 HydrophobicContact CG2-CG2 3.8Å; L144-T150 HydrophobicContact CD2-CG2 3.8Å; T150-F152 VanDerWaalsContact O-CD2 3.25Å; T150-F152 WeakPolarHBondContact O-CD2 3.33Å; T150-F152 VanDerWaalsContact O-CE2 3.28Å; T150-F152 WeakPolarHBondContact O-CE2 3.48Å | ||
| 151 | D | 95.5 | Very high | 90.7 | Very high | 52 Ų | 52 | 66.9 Ų | 66.9 | 28% | 0.278 | 37% | 0.368 | S | S | . | . | trans | -91.5 | 122.1 | -180 | -68.3 | -79.4 | 0 | 0 | 0 | 111.1 | I18 N115 | I18-D151 HydrophobicContact CG2-CB 3.9Å; N115-D151 HydrophobicContact CB-CB 4.19Å; N115-D151 WeakPolarHBondContact CB-OD1 3.26Å; N115-D151 PolarHBondContact ND2-OD1 3.23Å | ||
| 152 | F | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137 | -178.5 | -58.1 | -74.9 | 0 | 0 | 0 | 112 | I15 Q16 D17 W23 N115 S116 F118 I128 V130 T150 L154 | I15-F152 HydrophobicContact CG2-CB 3.98Å; I15-F152 HydrophobicContact CG2-CD1 3.92Å; I15-F152 HydrophobicContact CG2-CG 4.13Å; Q16-F152 CarbonylContact O-C 3.58Å; Q16-F152 VanDerWaalsContact O-CA 3.31Å; Q16-F152 WeakPolarHBondContact O-CA 3.3Å; D17-F152 HydrophobicContact CB-CD1 3.96Å; D17-F152 HydrophobicContact CB-CE1 4.04Å; W23-F152 HydrophobicContact CZ2-CD1 4.08Å; W23-F152 AromaticContact CZ2-CE1 3.8Å; W23-F152 HydrophobicContact CZ2-CE1 3.8Å; W23-F152 HydrophobicContact CZ2-CE2 4.33Å; W23-F152 HydrophobicContact CZ2-CG 4.47Å; W23-F152 AromaticContact CZ2-CZ 3.93Å; W23-F152 HydrophobicContact CZ2-CZ 3.93Å; W23-F152 AromaticContact NE1-CE1 3.63Å; N115-F152 CarbonylContact C-O 3.58Å; S116-F152 WeakPolarHBondContact CB-O 3.29Å; S116-F152 PolarHBondContact N-O 3.2Å; S116-F152 PolarHBondContact O-N 3.32Å; F118-F152 AromaticContact CD2-CD2 3.75Å; F118-F152 HydrophobicContact CD2-CD2 3.75Å; F118-F152 HydrophobicContact CD2-CE2 4.18Å; F118-F152 HydrophobicContact CE2-CB 4.23Å; F118-F152 AromaticContact CE2-CD2 3.83Å; F118-F152 HydrophobicContact CE2-CD2 3.83Å; F118-F152 HydrophobicContact CE2-CG 4.25Å; I128-F152 HydrophobicContact CB-CE2 4.49Å; I128-F152 HydrophobicContact CG2-CE2 4.28Å; I128-F152 HydrophobicContact CG2-CZ 4.19Å; I128-F152 WeakPolarHBondContact O-CE2 3.4Å; V130-F152 HydrophobicContact CG2-CE1 3.83Å; V130-F152 HydrophobicContact CG2-CZ 4.22Å; T150-F152 VanDerWaalsContact O-CD2 3.25Å; T150-F152 WeakPolarHBondContact O-CD2 3.33Å; T150-F152 VanDerWaalsContact O-CE2 3.28Å; T150-F152 WeakPolarHBondContact O-CE2 3.48Å; F152-L154 HydrophobicContact CB-CD1 4.1Å |
| 153 | G | 97.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 67.5 Ų | 67.5 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q16 | Q16-G153 PolarHBondContact N-O 3.34Å; Q16-G153 PolarHBondContact O-N 3.45Å |
| 154 | L | 96.3 | Very high | 90.2 | Very high | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.1 | 175.5 | -81.6 | 56.7 | 0 | 0 | 0 | 109.3 | S14 I15 L46 F118 F152 | S14-L154 WeakPolarHBondContact O-CA 3.37Å; I15-L154 HydrophobicContact CG1-CD1 4.34Å; I15-L154 HydrophobicContact CG1-CG 4.28Å; L46-L154 HydrophobicContact CD1-CD2 3.75Å; F118-L154 HydrophobicContact CE2-CD1 4.31Å; F118-L154 HydrophobicContact CZ-CD1 3.98Å; F118-L154 HydrophobicContact CZ-CD2 4.11Å; F152-L154 HydrophobicContact CB-CD1 4.1Å |
| 155 | T | 95 | Very high | 90.7 | Very high | 77 Ų | 77 | 64.6 Ų | 64.6 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.4 | 171 | -56.6 | 0 | 0 | 0 | 0 | 108.7 | V13 S14 | V13-T155 CarbonylContact C-O 3.59Å; V13-T155 VanDerWaalsContact CA-O 3.3Å; V13-T155 WeakPolarHBondContact CA-O 3.45Å; S14-T155 PolarHBondContact N-O 3.25Å; S14-T155 PolarHBondContact O-N 2.75Å |
| 156 | M | 92.7 | Very high | 91.6 | Very high | 77 Ų | 77 | 63.5 Ų | 63.5 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 135.8 | 175.3 | -59.1 | -63.1 | -64.4 | 0 | 0 | 109.8 | Q11 V13 F158 | Q11-M156 HydrophobicContact CB-CE 3.75Å; Q11-M156 HydrophobicContact CG-CE 4.19Å; V13-M156 HydrophobicContact CG1-CE 4.36Å; V13-M156 HydrophobicContact CG1-SD 3.54Å; V13-M156 VanDerWaalsContact CG1-SD 3.54Å; M156-F158 HydrophobicContact CB-CD2 4.36Å; M156-F158 HydrophobicContact CB-CE1 4.2Å; M156-F158 HydrophobicContact CB-CE2 3.65Å; M156-F158 HydrophobicContact CB-CZ 3.56Å; M156-F158 HydrophobicContact CG-CZ 4.17Å |
| 157 | L | 90.7 | Very high | 92.4 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 37% | 0.366 | 31% | 0.314 | S | S | . | . | trans | -103.6 | 119.1 | 173 | -53.6 | -180 | 0 | 0 | 0 | 106.8 | P12 T43 | P12-L157 HydrophobicContact CB-CB 4.36Å; P12-L157 HydrophobicContact CG-CB 4.35Å; P12-L157 WeakPolarHBondContact CG-O 3.36Å; P12-L157 PolarHBondContact O-N 3.26Å; T43-L157 HydrophobicContact CG2-CD1 3.61Å | ||
| 158 | F | 78.1 | Confident | 93 | Very high | 247 Ų | 247 | 57.5 Ų | 57.5 | 100% | 1.083 | 30% | 0.297 | S | S | * | . | trans | -107.2 | 0 | 179.5 | -58.1 | -77 | 0 | 0 | 0 | 110.4 | M156 | M156-F158 HydrophobicContact CB-CD2 4.36Å; M156-F158 HydrophobicContact CB-CE1 4.2Å; M156-F158 HydrophobicContact CB-CE2 3.65Å; M156-F158 HydrophobicContact CB-CZ 3.56Å; M156-F158 HydrophobicContact CG-CZ 4.17Å |
Retrieved 158 of 158 residues in 99.6 ms
(Link to these results)