| 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 | 28.4 | Very low | 36.8 | Very low | 207 Ų | 207 | 141.8 Ų | 141.8 | 100% | 1.02 | 69% | 0.692 | S | S | * | * | 0 | 74.7 | 0 | -167.3 | 176.5 | -166.2 | 0 | 0 | 108.8 | |||||
| 2 | H | 26.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 58% | 0.583 | 69% | 0.685 | S | S | * | * | trans | -96 | 114.8 | 146.2 | -102.6 | -46.4 | 0 | 0 | 0 | 103.7 | L4 F180 | H2-L4 PolarHBondContact O-N 3.13Å; H2-F180 AromaticContact CD2-CE1 3.33Å; H2-F180 WeakPolarHBondContact CD2-CE1 3.46Å; H2-F180 AromaticContact CE1-CD1 3.86Å; H2-F180 AromaticContact CE1-CE1 3.7Å; H2-F180 AromaticContact CG-CE1 3.86Å; H2-F180 AromaticContact NE2-CD1 3.53Å; H2-F180 AromaticContact NE2-CE1 3.2Å; H2-F180 WeakPolarHBondContact NE2-CE1 2.83Å | ||
| 3 | L | 27.8 | Very low | 39.4 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | -65.7 | 91.5 | 163.7 | -71.4 | 159.8 | 0 | 0 | 0 | 105.4 | R5 | L3-R5 PolarHBondContact O-N 3.07Å; L3-R5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | L | 33.3 | Very low | 41.3 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | trans | -64.9 | 112.2 | 160.5 | -76.5 | 173.1 | 0 | 0 | 0 | 105.2 | H2 E6 | H2-L4 PolarHBondContact O-N 3.13Å; L4-E6 PolarHBondContact O-N 2.87Å | ||
| 5 | R | 30.1 | Very low | 43.2 | Very low | 204 Ų | 204 | 123.1 Ų | 123.1 | 77% | 0.77 | 60% | 0.601 | S | S | * | * | trans | -54.2 | 124.3 | 163.2 | -169.4 | 179.2 | 172 | 175.8 | -1.3 | 106.8 | L3 D7 | L3-R5 PolarHBondContact O-N 3.07Å; L3-R5 VanDerWaalsContact O-N 3.13Å; R5-D7 HydrophobicContact CG-CB 4.19Å; R5-D7 IonicContact CZ-OD2 3.76Å; R5-D7 IonicContact NE-OD2 2.66Å; R5-D7 PolarHBondContact NE-OD2 3.49Å; R5-D7 IonicContact NH2-OD2 3.67Å; R5-D7 PolarHBondContact O-N 3.44Å | ||
| 6 | E | 35.4 | Very low | 44.9 | Very low | 188 Ų | 188 | 118.3 Ų | 118.3 | 88% | 0.879 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -60.7 | 12.2 | 177.6 | -108 | 170.9 | 166.1 | 0 | 0 | 114.6 | L4 | L4-E6 PolarHBondContact O-N 2.87Š|
| 7 | D | 33.4 | Very low | 46.5 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 60% | 0.599 | 57% | 0.57 | S | S | * | * | trans | -119.4 | 82.6 | -170.6 | -59.9 | -38.3 | 0 | 0 | 0 | 110.5 | R5 | R5-D7 HydrophobicContact CG-CB 4.19Å; R5-D7 IonicContact CZ-OD2 3.76Å; R5-D7 IonicContact NE-OD2 2.66Å; R5-D7 PolarHBondContact NE-OD2 3.49Å; R5-D7 IonicContact NH2-OD2 3.67Å; R5-D7 PolarHBondContact O-N 3.44Å | ||
| 8 | D | 41.2 | Very low | 47.8 | Very low | 89 Ų | 89 | 115 Ų | 115 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | trans | 170.8 | 85.8 | 131.6 | -162.5 | -6.4 | 0 | 0 | 0 | 108.9 | D10 T11 | D8-D10 PolarHBondContact O-N 3.38Å; D8-D10 VanDerWaalsContact O-N 3.11Å; D8-D10 PolarHBondContact OD1-N 3.03Å; D8-T11 WeakPolarHBondContact OD2-CG2 2.87Å | ||
| 9 | E | 48.7 | Very low | 49 | Very low | 176 Ų | 176 | 109.6 Ų | 109.6 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -7.1 | 175.3 | -76.2 | -165.7 | 150.3 | 0 | 0 | 113 | R29 | E9-R29 PolarHBondContact O-NE 2.77Å; E9-R29 PolarHBondContact O-NH1 3.04Å; E9-R29 PolarHBondContact O-NH2 2.74Å |
| 10 | D | 49.7 | Very low | 50 | Low | 123 Ų | 123 | 108.2 Ų | 108.2 | 66% | 0.658 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -4.4 | -168.5 | -87.5 | -27.8 | 0 | 0 | 0 | 117.1 | D8 R29 | D8-D10 PolarHBondContact O-N 3.38Å; D8-D10 VanDerWaalsContact O-N 3.11Å; D8-D10 PolarHBondContact OD1-N 3.03Å; D10-R29 PolarHBondContact O-NH1 3.03Å; D10-R29 VanDerWaalsContact O-NH1 3.13Å; D10-R29 IonicContact OD1-NH2 2.66Å; D10-R29 PolarHBondContact OD1-NH2 2.88Å |
| 11 | T | 50.5 | Low | 50.9 | Low | 62 Ų | 62 | 106.8 Ų | 106.8 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -91.6 | 126.6 | 179.2 | 48.1 | 0 | 0 | 0 | 0 | 113.2 | D8 T13 | D8-T11 WeakPolarHBondContact OD2-CG2 2.87Å; T11-T13 VanDerWaalsContact C-N 3.33Å; T11-T13 PolarHBondContact O-N 3.48Å; T11-T13 PolarHBondContact O-OG1 2.97Å |
| 12 | N | 49.8 | Very low | 53.1 | Low | 113 Ų | 113 | 101.7 Ų | 101.7 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | trans | -61.9 | 82 | 178.3 | -71.7 | -39.9 | 0 | 0 | 0 | 112.3 | Y92 | N12-Y92 HydrophobicContact CB-CE1 4.32Š| ||
| 13 | T | 57.3 | Low | 55.6 | Low | 47 Ų | 47 | 95.8 Ų | 95.8 | 29% | 0.288 | 48% | 0.481 | S | S | . | . | trans | -119.1 | 115.7 | -175.5 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | T11 R15 | T11-T13 VanDerWaalsContact C-N 3.33Å; T11-T13 PolarHBondContact O-N 3.48Å; T11-T13 PolarHBondContact O-OG1 2.97Å; T13-R15 VanDerWaalsContact CB-NE 3.32Å; T13-R15 PolarHBondContact OG1-NE 2.89Å; T13-R15 PolarHBondContact OG1-NH2 3.34Å | ||
| 14 | F | 65.7 | Low | 58 | Low | 39 Ų | 39 | 88.6 Ų | 88.6 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 126.8 | 152 | -177.6 | -89.4 | 0 | 0 | 0 | 108.2 | F26 W28 L41 A77 M94 | F14-F26 AromaticContact CD1-CD1 3.89Å; F14-F26 HydrophobicContact CD1-CD1 3.89Å; F14-F26 HydrophobicContact CD1-CE1 4.27Å; F14-F26 HydrophobicContact CE1-CB 3.95Å; F14-F26 AromaticContact CE1-CD1 2.94Å; F14-F26 HydrophobicContact CE1-CD1 2.94Å; F14-F26 HydrophobicContact CE1-CD2 4.42Å; F14-F26 AromaticContact CE1-CE1 3.26Å; F14-F26 HydrophobicContact CE1-CE1 3.26Å; F14-F26 AromaticContact CE1-CG 3.56Å; F14-F26 HydrophobicContact CE1-CG 3.56Å; F14-F26 HydrophobicContact CE1-CZ 4.13Å; F14-F26 HydrophobicContact CE2-CB 3.74Å; F14-F26 HydrophobicContact CE2-CD1 4.3Å; F14-F26 HydrophobicContact CE2-CG 4.18Å; F14-F26 HydrophobicContact CZ-CB 3.32Å; F14-F26 AromaticContact CZ-CD1 3.22Å; F14-F26 HydrophobicContact CZ-CD1 3.22Å; F14-F26 AromaticContact CZ-CD2 3.98Å; F14-F26 HydrophobicContact CZ-CD2 3.98Å; F14-F26 AromaticContact CZ-CE1 3.81Å; F14-F26 HydrophobicContact CZ-CE1 3.81Å; F14-F26 AromaticContact CZ-CG 3.25Å; F14-F26 HydrophobicContact CZ-CG 3.25Å; F14-F26 HydrophobicContact CZ-CZ 4.41Å; F14-W28 HydrophobicContact CD2-CB 3.79Å; F14-W28 HydrophobicContact CE2-CB 4.34Å; F14-L41 HydrophobicContact CD2-CD2 4.35Å; F14-L41 HydrophobicContact CE2-CD1 4.15Å; F14-L41 HydrophobicContact CE2-CD2 3.26Å; F14-L41 HydrophobicContact CE2-CG 4.31Å; F14-L41 HydrophobicContact CZ-CD1 4.01Å; F14-L41 HydrophobicContact CZ-CD2 3.57Å; F14-L41 HydrophobicContact CZ-CG 4.31Å; F14-A77 HydrophobicContact CD2-CB 3.79Å; F14-A77 HydrophobicContact CE2-CB 3.88Å; F14-A77 HydrophobicContact CG-CB 4.44Å; F14-A77 HydrophobicContact CZ-CB 4.47Å; F14-M94 HydrophobicContact CB-CE 4.12Å; F14-M94 HydrophobicContact CD1-CE 2.94Å; F14-M94 HydrophobicContact CD1-SD 3.11Å; F14-M94 WeakPolarHBondContact CD1-SD 3.3Å; F14-M94 HydrophobicContact CD2-CE 4.3Å; F14-M94 HydrophobicContact CE1-CE 3.11Å; F14-M94 HydrophobicContact CE1-SD 3.08Å; F14-M94 WeakPolarHBondContact CE1-SD 3.41Å; F14-M94 HydrophobicContact CG-CE 3.54Å; F14-M94 HydrophobicContact CG-SD 4.25Å; F14-M94 HydrophobicContact CZ-CE 3.95Å; F14-M94 HydrophobicContact CZ-SD 4.27Å |
| 15 | R | 69.4 | Low | 60.2 | Low | 88 Ų | 88 | 83 Ų | 83 | 33% | 0.332 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.2 | -172.8 | -60.9 | -175 | -176.4 | 175.3 | 7.1 | 110.9 | T13 I17 F26 E27 | T13-R15 VanDerWaalsContact CB-NE 3.32Å; T13-R15 PolarHBondContact OG1-NE 2.89Å; T13-R15 PolarHBondContact OG1-NH2 3.34Å; R15-I17 PolarHBondContact O-N 3.28Å; R15-F26 WeakPolarHBondContact O-CA 3.46Å; R15-E27 PolarHBondContact N-O 3.41Å; R15-E27 PolarHBondContact O-N 3.36Å |
| 16 | V | 71 | Confident | 62.4 | Low | 45 Ų | 45 | 73.4 Ų | 73.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 116.6 | 161.3 | -178.7 | 0 | 0 | 0 | 0 | 106.5 | E19 M24 F26 Y96 | V16-E19 HydrophobicContact CG1-CG 4.4Å; V16-M24 HydrophobicContact CG1-CB 4.47Å; V16-M24 HydrophobicContact CG1-CG 4.29Å; V16-M24 HydrophobicContact CG1-SD 4.14Å; V16-M24 HydrophobicContact CG2-SD 3.92Å; V16-F26 HydrophobicContact CB-CD1 4.26Å; V16-F26 HydrophobicContact CB-CE1 4.21Å; V16-F26 HydrophobicContact CG2-CD1 3.71Å; V16-F26 HydrophobicContact CG2-CE1 3.21Å; V16-F26 HydrophobicContact CG2-CZ 4.08Å; V16-Y96 HydrophobicContact CB-CE2 4.46Å; V16-Y96 HydrophobicContact CG2-CD2 3.89Å; V16-Y96 HydrophobicContact CG2-CE2 3.96Å; V16-Y96 HydrophobicContact CG2-CG 4.37Å |
| 17 | I | 71.6 | Confident | 64.3 | Low | 78 Ų | 78 | 69.4 Ų | 69.4 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -28.7 | 177.6 | 57.2 | 169.9 | 0 | 0 | 0 | 111.8 | R15 A25 E27 I60 | R15-I17 PolarHBondContact O-N 3.28Å; I17-A25 HydrophobicContact CD1-CB 4.09Å; I17-A25 HydrophobicContact CG1-CB 3.7Å; I17-A25 WeakPolarHBondContact CG1-O 3.17Å; I17-A25 PolarHBondContact N-O 3.05Å; I17-E27 HydrophobicContact CG2-CB 3.49Å; I17-E27 VanDerWaalsContact CG2-CB 3.49Å; I17-I60 HydrophobicContact CD1-CD1 4.03Å; I17-I60 HydrophobicContact CD1-CG1 4.46Å; I17-I60 HydrophobicContact CD1-CG2 3.84Å |
| 18 | Q | 70 | Confident | 66 | Low | 100 Ų | 100 | 65.3 Ų | 65.3 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 135.4 | -179.6 | -169.2 | 179.1 | 10.2 | 0 | 0 | 111.3 | A25 L182 | Q18-A25 HydrophobicContact CB-CB 4.07Å; Q18-A25 PolarHBondContact N-O 2.89Å; Q18-A25 PolarHBondContact O-N 3.15Å; Q18-L182 HydrophobicContact CG-CD1 3.99Å |
| 19 | E | 70.4 | Confident | 67.2 | Low | 13 Ų | 13 | 66.2 Ų | 66.2 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.4 | 163.8 | -61.7 | -163.1 | 120.7 | 0 | 0 | 110.4 | V16 M24 Y96 R98 L182 | V16-E19 HydrophobicContact CG1-CG 4.4Å; E19-M24 HydrophobicContact CG-CG 4.49Å; E19-Y96 WeakPolarHBondContact CG-OH 3.2Å; E19-Y96 WeakPolarHBondContact OE1-CE1 3.07Å; E19-Y96 PolarHBondContact OE1-OH 3.13Å; E19-R98 VanDerWaalsContact OE1-CD 3.26Å; E19-R98 WeakPolarHBondContact OE1-CD 3.36Å; E19-R98 WeakPolarHBondContact OE1-CG 3.45Å; E19-L182 HydrophobicContact CB-CD1 4.44Å; E19-L182 WeakPolarHBondContact O-CD1 3.29Å |
| 20 | Q | 70.5 | Confident | 68 | Low | 80 Ų | 80 | 66.1 Ų | 66.1 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | trans | -102.2 | 171.7 | 166.7 | -56.5 | -175.1 | 9.3 | 0 | 0 | 110.3 | T22 A23 I66 R101 | Q20-T22 PolarHBondContact O-N 3.11Å; Q20-T22 VanDerWaalsContact O-N 3.09Å; Q20-A23 WeakPolarHBondContact CA-O 3.44Å; Q20-A23 VanDerWaalsContact CB-O 3.28Å; Q20-A23 WeakPolarHBondContact CB-O 3.18Å; Q20-A23 PolarHBondContact N-O 3.12Å; Q20-I66 WeakPolarHBondContact O-CD1 3.35Å; Q20-R101 PolarHBondContact O-NH2 2.78Å | ||
| 21 | T | 68.5 | Low | 69 | Low | 79 Ų | 79 | 61 Ų | 61 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -51.9 | -39 | -178.3 | -53.5 | 0 | 0 | 0 | 0 | 113.3 | R101 T184 | T21-R101 VanDerWaalsContact C-NH1 3.28Å; T21-R101 VanDerWaalsContact CA-NH1 3.27Å; T21-R101 PolarHBondContact O-NH1 3.19Å; T21-T184 HydrophobicContact CG2-CG2 3.89Å |
| 22 | T | 73.9 | Confident | 70 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 62% | 0.62 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -131.7 | 4.3 | -176.2 | 54.9 | 0 | 0 | 0 | 0 | 113.7 | Q20 K64 | Q20-T22 PolarHBondContact O-N 3.11Å; Q20-T22 VanDerWaalsContact O-N 3.09Å; T22-K64 CarbonylContact O-C 3.57Å; T22-K64 WeakPolarHBondContact O-CA 3.25Å |
| 23 | A | 79.6 | Confident | 71.4 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 30% | 0.304 | C | S | . | . | trans | -143.7 | 150.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q20 L62 L63 K64 I66 | Q20-A23 WeakPolarHBondContact CA-O 3.44Å; Q20-A23 VanDerWaalsContact CB-O 3.28Å; Q20-A23 WeakPolarHBondContact CB-O 3.18Å; Q20-A23 PolarHBondContact N-O 3.12Å; A23-L62 HydrophobicContact CB-CD1 3.42Å; A23-L62 VanDerWaalsContact CB-CD1 3.42Å; A23-L62 HydrophobicContact CB-CD2 4.17Å; A23-L62 HydrophobicContact CB-CG 3.57Å; A23-L63 CarbonylContact C-O 3.59Å; A23-L63 WeakPolarHBondContact CA-O 2.95Å; A23-L63 WeakPolarHBondContact CB-O 3.32Å; A23-K64 HydrophobicContact CB-CG 4.35Å; A23-I66 VanDerWaalsContact O-CD1 3.26Å; A23-I66 WeakPolarHBondContact O-CD1 3.43Å | ||
| 24 | M | 78.7 | Confident | 72.7 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.3 | 167.5 | -78.6 | -174.3 | -66.7 | 0 | 0 | 109.2 | V16 E19 F26 L63 I66 Y75 Y96 | V16-M24 HydrophobicContact CG1-CB 4.47Å; V16-M24 HydrophobicContact CG1-CG 4.29Å; V16-M24 HydrophobicContact CG1-SD 4.14Å; V16-M24 HydrophobicContact CG2-SD 3.92Å; E19-M24 HydrophobicContact CG-CG 4.49Å; M24-F26 HydrophobicContact CB-CD2 4.02Å; M24-F26 HydrophobicContact CB-CE1 4.4Å; M24-F26 HydrophobicContact CB-CE2 3.38Å; M24-F26 HydrophobicContact CB-CZ 3.64Å; M24-F26 HydrophobicContact CE-CE1 4.42Å; M24-F26 HydrophobicContact CE-CE2 4.07Å; M24-F26 HydrophobicContact CE-CZ 3.47Å; M24-F26 VanDerWaalsContact CE-CZ 3.47Å; M24-F26 HydrophobicContact CG-CZ 4.39Å; M24-F26 WeakPolarHBondContact O-CD2 3.24Å; M24-F26 HydrophobicContact SD-CE1 4.4Å; M24-F26 HydrophobicContact SD-CZ 3.88Å; M24-L63 PolarHBondContact N-O 2.76Å; M24-L63 PolarHBondContact O-N 3.22Å; M24-I66 HydrophobicContact CE-CB 4.47Å; M24-I66 HydrophobicContact CE-CG2 4.02Å; M24-I66 HydrophobicContact CG-CB 4.41Å; M24-I66 HydrophobicContact CG-CD1 3.91Å; M24-I66 HydrophobicContact CG-CG1 3.85Å; M24-I66 HydrophobicContact CG-CG2 3.93Å; M24-I66 HydrophobicContact SD-CG2 3.98Å; M24-Y75 HydrophobicContact CE-CD1 4.35Å; M24-Y75 HydrophobicContact CE-CE1 3.47Å; M24-Y75 VanDerWaalsContact CE-CE1 3.47Å; M24-Y75 HydrophobicContact CE-CE2 3.91Å; M24-Y75 WeakPolarHBondContact CE-OH 3.5Å; M24-Y96 HydrophobicContact CE-CD1 4.11Å; M24-Y96 HydrophobicContact SD-CD1 3.5Å; M24-Y96 VanDerWaalsContact SD-CD1 3.5Å; M24-Y96 HydrophobicContact SD-CE1 3.54Å; M24-Y96 VanDerWaalsContact SD-CE1 3.54Å; M24-Y96 HydrophobicContact SD-CG 4.15Å |
| 25 | A | 79.5 | Confident | 73.6 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 130.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | I17 Q18 I60 G61 L62 | I17-A25 HydrophobicContact CD1-CB 4.09Å; I17-A25 HydrophobicContact CG1-CB 3.7Å; I17-A25 WeakPolarHBondContact CG1-O 3.17Å; I17-A25 PolarHBondContact N-O 3.05Å; Q18-A25 HydrophobicContact CB-CB 4.07Å; Q18-A25 PolarHBondContact N-O 2.89Å; Q18-A25 PolarHBondContact O-N 3.15Å; A25-I60 HydrophobicContact CB-CG2 4.18Å; A25-G61 CarbonylContact C-O 3.56Å; A25-G61 VanDerWaalsContact CA-O 3.3Å; A25-G61 WeakPolarHBondContact CA-O 3.49Å; A25-L62 HydrophobicContact CB-CD1 4.34Å |
| 26 | F | 75.6 | Confident | 74.4 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.1 | -180 | -64.4 | -83.5 | 0 | 0 | 0 | 111.1 | F14 R15 V16 M24 L41 G61 L63 Y75 M94 | F14-F26 AromaticContact CD1-CD1 3.89Å; F14-F26 HydrophobicContact CD1-CD1 3.89Å; F14-F26 HydrophobicContact CD1-CE1 4.27Å; F14-F26 HydrophobicContact CE1-CB 3.95Å; F14-F26 AromaticContact CE1-CD1 2.94Å; F14-F26 HydrophobicContact CE1-CD1 2.94Å; F14-F26 HydrophobicContact CE1-CD2 4.42Å; F14-F26 AromaticContact CE1-CE1 3.26Å; F14-F26 HydrophobicContact CE1-CE1 3.26Å; F14-F26 AromaticContact CE1-CG 3.56Å; F14-F26 HydrophobicContact CE1-CG 3.56Å; F14-F26 HydrophobicContact CE1-CZ 4.13Å; F14-F26 HydrophobicContact CE2-CB 3.74Å; F14-F26 HydrophobicContact CE2-CD1 4.3Å; F14-F26 HydrophobicContact CE2-CG 4.18Å; F14-F26 HydrophobicContact CZ-CB 3.32Å; F14-F26 AromaticContact CZ-CD1 3.22Å; F14-F26 HydrophobicContact CZ-CD1 3.22Å; F14-F26 AromaticContact CZ-CD2 3.98Å; F14-F26 HydrophobicContact CZ-CD2 3.98Å; F14-F26 AromaticContact CZ-CE1 3.81Å; F14-F26 HydrophobicContact CZ-CE1 3.81Å; F14-F26 AromaticContact CZ-CG 3.25Å; F14-F26 HydrophobicContact CZ-CG 3.25Å; F14-F26 HydrophobicContact CZ-CZ 4.41Å; R15-F26 WeakPolarHBondContact O-CA 3.46Å; V16-F26 HydrophobicContact CB-CD1 4.26Å; V16-F26 HydrophobicContact CB-CE1 4.21Å; V16-F26 HydrophobicContact CG2-CD1 3.71Å; V16-F26 HydrophobicContact CG2-CE1 3.21Å; V16-F26 HydrophobicContact CG2-CZ 4.08Å; M24-F26 HydrophobicContact CB-CD2 4.02Å; M24-F26 HydrophobicContact CB-CE1 4.4Å; M24-F26 HydrophobicContact CB-CE2 3.38Å; M24-F26 HydrophobicContact CB-CZ 3.64Å; M24-F26 HydrophobicContact CE-CE1 4.42Å; M24-F26 HydrophobicContact CE-CE2 4.07Å; M24-F26 HydrophobicContact CE-CZ 3.47Å; M24-F26 VanDerWaalsContact CE-CZ 3.47Å; M24-F26 HydrophobicContact CG-CZ 4.39Å; M24-F26 WeakPolarHBondContact O-CD2 3.24Å; M24-F26 HydrophobicContact SD-CE1 4.4Å; M24-F26 HydrophobicContact SD-CZ 3.88Å; F26-L41 HydrophobicContact CB-CD1 3.8Å; F26-L41 HydrophobicContact CD2-CD1 3.82Å; F26-L41 HydrophobicContact CG-CD1 4.13Å; F26-G61 PolarHBondContact N-O 3.05Å; F26-G61 PolarHBondContact O-N 3.08Å; F26-L63 HydrophobicContact CD2-CB 4.22Å; F26-L63 HydrophobicContact CE2-CB 3.84Å; F26-L63 HydrophobicContact CE2-CD2 4.07Å; F26-Y75 HydrophobicContact CZ-CD1 4.41Å; F26-M94 HydrophobicContact CE1-SD 4.28Å |
| 27 | E | 74.4 | Confident | 75 | Confident | 105 Ų | 105 | 65.1 Ų | 65.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 144 | 164.6 | -178 | 178.3 | -154.9 | 0 | 0 | 108.7 | R15 I17 | R15-E27 PolarHBondContact N-O 3.41Å; R15-E27 PolarHBondContact O-N 3.36Å; I17-E27 HydrophobicContact CG2-CB 3.49Å; I17-E27 VanDerWaalsContact CG2-CB 3.49Å |
| 28 | W | 70 | Confident | 75.8 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 10% | 0.095 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.9 | 169.3 | 63.8 | 94.4 | 0 | 0 | 0 | 109.2 | F14 R30 F36 V39 V55 Y56 D59 | F14-W28 HydrophobicContact CD2-CB 3.79Å; F14-W28 HydrophobicContact CE2-CB 4.34Å; W28-R30 PolarHBondContact O-N 2.95Å; W28-F36 AromaticContact NE1-CZ 3.93Å; W28-V39 HydrophobicContact CD2-CG2 4.24Å; W28-V39 HydrophobicContact CG-CG2 4.36Å; W28-V39 HydrophobicContact CZ2-CG2 4.22Å; W28-V55 HydrophobicContact CH2-CB 3.51Å; W28-V55 HydrophobicContact CH2-CG1 3.22Å; W28-V55 HydrophobicContact CH2-CG2 4.4Å; W28-V55 HydrophobicContact CZ2-CB 4.25Å; W28-V55 HydrophobicContact CZ2-CG1 4.23Å; W28-V55 HydrophobicContact CZ3-CB 3.97Å; W28-V55 HydrophobicContact CZ3-CG1 3.75Å; W28-V55 HydrophobicContact CZ3-CG2 4.39Å; W28-Y56 WeakPolarHBondContact CZ2-O 3.39Å; W28-D59 WeakPolarHBondContact CH2-O 3.2Å; W28-D59 WeakPolarHBondContact CZ3-O 3.19Å |
| 29 | R | 66.3 | Low | 76.7 | Confident | 109 Ų | 109 | 57.6 Ų | 57.6 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | trans | -57.2 | 141.2 | 166.4 | -166.5 | 177.2 | -176.2 | -165.7 | 4.4 | 108 | E9 D10 L31 | E9-R29 PolarHBondContact O-NE 2.77Å; E9-R29 PolarHBondContact O-NH1 3.04Å; E9-R29 PolarHBondContact O-NH2 2.74Å; D10-R29 PolarHBondContact O-NH1 3.03Å; D10-R29 VanDerWaalsContact O-NH1 3.13Å; D10-R29 IonicContact OD1-NH2 2.66Å; D10-R29 PolarHBondContact OD1-NH2 2.88Å; R29-L31 PolarHBondContact O-N 2.84Å | ||
| 30 | R | 66.1 | Low | 77.6 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 66% | 0.657 | 29% | 0.287 | S | S | * | . | trans | -45.3 | 110.4 | -179.4 | -177.6 | 174.6 | 177.2 | 166 | -2.9 | 110.7 | W28 T32 | W28-R30 PolarHBondContact O-N 2.95Å; R30-T32 PolarHBondContact O-N 2.96Å | ||
| 31 | L | 70.5 | Confident | 78.5 | Confident | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | trans | -64.7 | 121.4 | 169.2 | -60.7 | -172.7 | 0 | 0 | 0 | 108.1 | R29 H33 F36 V39 F89 Y92 | R29-L31 PolarHBondContact O-N 2.84Å; L31-H33 PolarHBondContact O-N 2.86Å; L31-F36 HydrophobicContact CB-CD1 4.47Å; L31-F36 HydrophobicContact CB-CD2 4.25Å; L31-F36 HydrophobicContact CB-CE1 4.28Å; L31-F36 HydrophobicContact CB-CE2 4.06Å; L31-F36 HydrophobicContact CB-CG 4.47Å; L31-F36 HydrophobicContact CB-CZ 4.1Å; L31-F36 HydrophobicContact CD1-CE2 4.13Å; L31-F36 HydrophobicContact CD1-CZ 4.48Å; L31-F36 HydrophobicContact CG-CE2 4.5Å; L31-F36 HydrophobicContact CG-CZ 4.47Å; L31-F36 VanDerWaalsContact O-CD1 3.26Å; L31-F36 WeakPolarHBondContact O-CD1 3.41Å; L31-V39 HydrophobicContact CD1-CG1 4.48Å; L31-V39 HydrophobicContact CD1-CG2 3.51Å; L31-V39 HydrophobicContact CG-CG2 4.25Å; L31-F89 HydrophobicContact CB-CE2 3.99Å; L31-F89 HydrophobicContact CB-CZ 3.83Å; L31-F89 HydrophobicContact CD1-CE2 4.35Å; L31-F89 HydrophobicContact CD1-CZ 4.07Å; L31-Y92 HydrophobicContact CD2-CD2 4.2Å; L31-Y92 HydrophobicContact CD2-CE2 3.51Å | ||
| 32 | T | 70.3 | Confident | 79.5 | Confident | 127 Ų | 127 | 53.4 Ų | 53.4 | 78% | 0.779 | 25% | 0.25 | S | S | * | . | trans | -94.1 | 97.1 | -177.8 | 52.4 | 0 | 0 | 0 | 0 | 110 | R30 | R30-T32 PolarHBondContact O-N 2.96Š| ||
| 33 | H | 80.5 | Confident | 80.1 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 35% | 0.347 | 23% | 0.226 | S | C | . | . | trans | -133.5 | 142.7 | 163.9 | -169.3 | -89.3 | 0 | 0 | 0 | 108.7 | L31 N35 F36 T81 F89 | L31-H33 PolarHBondContact O-N 2.86Å; H33-N35 PolarHBondContact ND1-N 3.4Å; H33-N35 VanDerWaalsContact ND1-N 3.15Å; H33-N35 PolarHBondContact O-N 2.77Å; H33-N35 VanDerWaalsContact O-N 3.16Å; H33-F36 HydrophobicContact CB-CB 4.06Å; H33-F36 VanDerWaalsContact O-CB 3.32Å; H33-F36 WeakPolarHBondContact O-CB 3.4Å; H33-F36 PolarHBondContact O-N 3.22Å; H33-T81 WeakPolarHBondContact CE1-CG2 3.26Å; H33-T81 WeakPolarHBondContact ND1-CG2 3.09Å; H33-F89 HydrophobicContact CB-CD1 3.97Å; H33-F89 HydrophobicContact CB-CD2 3.85Å; H33-F89 HydrophobicContact CB-CE1 3.82Å; H33-F89 HydrophobicContact CB-CE2 3.74Å; H33-F89 HydrophobicContact CB-CG 3.99Å; H33-F89 HydrophobicContact CB-CZ 3.72Å; H33-F89 AromaticContact CD2-CG 3.82Å; H33-F89 AromaticContact CG-CD1 3.98Å; H33-F89 AromaticContact CG-CG 3.93Å | ||
| 34 | K | 84.7 | Confident | 80.3 | Confident | 200 Ų | 200 | 51.8 Ų | 51.8 | 87% | 0.87 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -39.1 | -178.6 | -176.5 | -178.5 | 175.6 | -177.6 | 0 | 111.7 | ||
| 35 | N | 84.8 | Confident | 80.5 | Confident | 61 Ų | 61 | 53.7 Ų | 53.7 | 33% | 0.326 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 26.3 | -180 | -55.8 | -20.4 | 0 | 0 | 0 | 112.2 | H33 G37 T81 N82 D83 | H33-N35 PolarHBondContact ND1-N 3.4Å; H33-N35 VanDerWaalsContact ND1-N 3.15Å; H33-N35 PolarHBondContact O-N 2.77Å; H33-N35 VanDerWaalsContact O-N 3.16Å; N35-G37 PolarHBondContact O-N 3.25Å; N35-T81 HydrophobicContact CB-CG2 4.36Å; N35-T81 CarbonylContact O-C 3.45Å; N35-T81 WeakPolarHBondContact O-CA 3.34Å; N35-T81 WeakPolarHBondContact O-CB 3.4Å; N35-N82 PolarHBondContact O-N 2.05Å; N35-D83 VanDerWaalsContact CG-OD1 3.27Å; N35-D83 VanDerWaalsContact ND2-CG 3.3Å; N35-D83 PolarHBondContact ND2-OD1 2.68Å; N35-D83 PolarHBondContact ND2-OD2 2.97Å; N35-D83 VanDerWaalsContact ND2-OD2 3.07Å |
| 36 | F | 84.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.066 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 123.6 | -179 | 173 | -137.2 | 0 | 0 | 0 | 111.2 | W28 L31 H33 Y38 V39 K57 F89 | W28-F36 AromaticContact NE1-CZ 3.93Å; L31-F36 HydrophobicContact CB-CD1 4.47Å; L31-F36 HydrophobicContact CB-CD2 4.25Å; L31-F36 HydrophobicContact CB-CE1 4.28Å; L31-F36 HydrophobicContact CB-CE2 4.06Å; L31-F36 HydrophobicContact CB-CG 4.47Å; L31-F36 HydrophobicContact CB-CZ 4.1Å; L31-F36 HydrophobicContact CD1-CE2 4.13Å; L31-F36 HydrophobicContact CD1-CZ 4.48Å; L31-F36 HydrophobicContact CG-CE2 4.5Å; L31-F36 HydrophobicContact CG-CZ 4.47Å; L31-F36 VanDerWaalsContact O-CD1 3.26Å; L31-F36 WeakPolarHBondContact O-CD1 3.41Å; H33-F36 HydrophobicContact CB-CB 4.06Å; H33-F36 VanDerWaalsContact O-CB 3.32Å; H33-F36 WeakPolarHBondContact O-CB 3.4Å; H33-F36 PolarHBondContact O-N 3.22Å; F36-Y38 WeakPolarHBondContact CE2-O 3.13Å; F36-V39 HydrophobicContact CE2-CG2 3.76Å; F36-V39 HydrophobicContact CZ-CG2 3.7Å; F36-K57 HydrophobicContact CD1-CB 3.88Å; F36-K57 HydrophobicContact CD1-CD 3.58Å; F36-K57 HydrophobicContact CD1-CG 3.71Å; F36-K57 HydrophobicContact CE1-CB 3.47Å; F36-K57 VanDerWaalsContact CE1-CB 3.47Å; F36-K57 HydrophobicContact CE1-CD 3.93Å; F36-K57 HydrophobicContact CE1-CG 3.48Å; F36-K57 VanDerWaalsContact CE1-CG 3.48Å; F36-K57 HydrophobicContact CZ-CB 4.04Å; F36-K57 HydrophobicContact CZ-CG 4.48Å; F36-F89 HydrophobicContact CB-CZ 4.43Å; F36-F89 AromaticContact CD2-CE1 3.8Å; F36-F89 HydrophobicContact CD2-CE1 3.8Å; F36-F89 AromaticContact CD2-CZ 3.62Å; F36-F89 HydrophobicContact CD2-CZ 3.62Å; F36-F89 HydrophobicContact CE2-CZ 4.26Å; F36-F89 HydrophobicContact CG-CZ 4.29Å |
| 37 | G | 84.9 | Confident | 80.6 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -62.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N35 K57 Y80 N82 | N35-G37 PolarHBondContact O-N 3.25Å; G37-K57 PolarHBondContact O-N 2.66Å; G37-K57 VanDerWaalsContact O-N 3.13Å; G37-Y80 PolarHBondContact N-O 2.98Å; G37-N82 VanDerWaalsContact CA-ND2 3.29Å; G37-N82 WeakPolarHBondContact CA-ND2 3.46Å; G37-N82 WeakPolarHBondContact CA-OD1 3.38Å |
| 38 | Y | 88.5 | Confident | 81 | Confident | 20 Ų | 20 | 71.9 Ų | 71.9 | 8% | 0.078 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 165.7 | -170.1 | 60.1 | -91.7 | 0 | 0 | 0 | 111.3 | F36 Y40 K54 V55 Y56 Y80 A86 | F36-Y38 WeakPolarHBondContact CE2-O 3.13Å; Y38-Y40 HydrophobicContact CD2-CD2 4.25Å; Y38-Y40 HydrophobicContact CD2-CE2 4.2Å; Y38-Y40 AromaticContact CE2-CD2 3.67Å; Y38-Y40 HydrophobicContact CE2-CD2 3.67Å; Y38-Y40 AromaticContact CE2-CE2 3.34Å; Y38-Y40 HydrophobicContact CE2-CE2 3.34Å; Y38-Y40 AromaticContact CE2-CZ 3.96Å; Y38-K54 HydrophobicContact CD2-CD 4Å; Y38-K54 HydrophobicContact CD2-CG 3.57Å; Y38-K54 VanDerWaalsContact CE1-CE 3.43Å; Y38-K54 HydrophobicContact CE2-CD 4.27Å; Y38-K54 HydrophobicContact CE2-CG 4.15Å; Y38-K54 HydrophobicContact CG-CD 4.16Å; Y38-K54 HydrophobicContact CG-CG 3.94Å; Y38-V55 CarbonylContact C-O 3.58Å; Y38-V55 VanDerWaalsContact CA-O 3.25Å; Y38-V55 WeakPolarHBondContact CA-O 3.36Å; Y38-V55 VanDerWaalsContact CB-O 3.31Å; Y38-V55 WeakPolarHBondContact CB-O 3.25Å; Y38-Y56 HydrophobicContact CD1-CE1 4.47Å; Y38-Y80 HydrophobicContact CD2-CD2 4.4Å; Y38-Y80 HydrophobicContact CD2-CG 4.38Å; Y38-Y80 HydrophobicContact CE2-CD1 4.35Å; Y38-Y80 AromaticContact CE2-CD2 3.8Å; Y38-Y80 HydrophobicContact CE2-CD2 3.8Å; Y38-Y80 AromaticContact CE2-CG 3.58Å; Y38-Y80 HydrophobicContact CE2-CG 3.58Å; Y38-Y80 AromaticContact CZ-CG 3.78Å; Y38-Y80 PolarHBondContact N-O 3.19Å; Y38-Y80 PolarHBondContact O-N 3.09Å; Y38-A86 HydrophobicContact CE1-CB 4.46Å; Y38-A86 WeakPolarHBondContact OH-CB 3.36Å |
| 39 | V | 88.4 | Confident | 81.7 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.8 | 172.8 | -172.3 | 0 | 0 | 0 | 0 | 108.5 | W28 L31 F36 L41 V55 A77 E78 | W28-V39 HydrophobicContact CD2-CG2 4.24Å; W28-V39 HydrophobicContact CG-CG2 4.36Å; W28-V39 HydrophobicContact CZ2-CG2 4.22Å; L31-V39 HydrophobicContact CD1-CG1 4.48Å; L31-V39 HydrophobicContact CD1-CG2 3.51Å; L31-V39 HydrophobicContact CG-CG2 4.25Å; F36-V39 HydrophobicContact CE2-CG2 3.76Å; F36-V39 HydrophobicContact CZ-CG2 3.7Å; V39-L41 HydrophobicContact CG1-CD2 3.65Å; V39-V55 PolarHBondContact N-O 2.76Å; V39-V55 PolarHBondContact O-N 2.57Å; V39-A77 HydrophobicContact CG1-CB 3.96Å; V39-E78 CarbonylContact C-O 3.49Å; V39-E78 VanDerWaalsContact CA-O 3.22Å; V39-E78 WeakPolarHBondContact CA-O 3.07Å |
| 40 | Y | 90 | Very high | 82.5 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 127.3 | 159.1 | -80.3 | -65.8 | 0 | 0 | 0 | 109.3 | Y38 L42 T52 V53 K54 A77 E78 Y80 | Y38-Y40 HydrophobicContact CD2-CD2 4.25Å; Y38-Y40 HydrophobicContact CD2-CE2 4.2Å; Y38-Y40 AromaticContact CE2-CD2 3.67Å; Y38-Y40 HydrophobicContact CE2-CD2 3.67Å; Y38-Y40 AromaticContact CE2-CE2 3.34Å; Y38-Y40 HydrophobicContact CE2-CE2 3.34Å; Y38-Y40 AromaticContact CE2-CZ 3.96Å; Y40-L42 WeakPolarHBondContact O-CD1 3.47Å; Y40-T52 VanDerWaalsContact CD1-OG1 3.25Å; Y40-T52 WeakPolarHBondContact CD1-OG1 3.49Å; Y40-V53 WeakPolarHBondContact CA-O 3.33Å; Y40-K54 HydrophobicContact CD1-CB 3.9Å; Y40-K54 HydrophobicContact CD1-CG 4.26Å; Y40-K54 HydrophobicContact CE1-CB 3.49Å; Y40-K54 VanDerWaalsContact CE1-CB 3.49Å; Y40-K54 HydrophobicContact CE1-CD 4.34Å; Y40-K54 HydrophobicContact CE1-CG 3.82Å; Y40-A77 CarbonylContact O-C 3.48Å; Y40-A77 WeakPolarHBondContact O-CA 3.38Å; Y40-E78 PolarHBondContact N-O 2.98Å; Y40-E78 PolarHBondContact O-N 3.15Å; Y40-Y80 AromaticContact CD2-CD2 3.74Å; Y40-Y80 HydrophobicContact CD2-CD2 3.74Å; Y40-Y80 AromaticContact CD2-CE2 3.52Å; Y40-Y80 HydrophobicContact CD2-CE2 3.52Å; Y40-Y80 HydrophobicContact CE2-CD2 4.38Å; Y40-Y80 HydrophobicContact CE2-CE2 4.27Å; Y40-Y80 HydrophobicContact CG-CE2 4.5Å |
| 41 | L | 87.7 | Confident | 83.4 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 124.5 | 167.3 | -50.3 | -176.6 | 0 | 0 | 0 | 107.4 | F14 F26 V39 T52 V53 V55 L63 A77 | F14-L41 HydrophobicContact CD2-CD2 4.35Å; F14-L41 HydrophobicContact CE2-CD1 4.15Å; F14-L41 HydrophobicContact CE2-CD2 3.26Å; F14-L41 HydrophobicContact CE2-CG 4.31Å; F14-L41 HydrophobicContact CZ-CD1 4.01Å; F14-L41 HydrophobicContact CZ-CD2 3.57Å; F14-L41 HydrophobicContact CZ-CG 4.31Å; F26-L41 HydrophobicContact CB-CD1 3.8Å; F26-L41 HydrophobicContact CD2-CD1 3.82Å; F26-L41 HydrophobicContact CG-CD1 4.13Å; V39-L41 HydrophobicContact CG1-CD2 3.65Å; L41-T52 CarbonylContact O-C 3.56Å; L41-T52 VanDerWaalsContact O-CA 3.27Å; L41-T52 WeakPolarHBondContact O-CA 3.4Å; L41-V53 HydrophobicContact CB-CG1 3.79Å; L41-V53 HydrophobicContact CD1-CG1 4.17Å; L41-V53 HydrophobicContact CG-CG1 4.17Å; L41-V53 PolarHBondContact N-O 2.89Å; L41-V53 PolarHBondContact O-N 2.72Å; L41-V55 HydrophobicContact CD1-CG2 3.95Å; L41-V55 HydrophobicContact CG-CG2 3.96Å; L41-L63 HydrophobicContact CB-CD2 4.47Å; L41-A77 HydrophobicContact CD2-CB 3.76Å |
| 42 | L | 89.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 74 Ų | 74 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.7 | -175.7 | -52.6 | 98.3 | 0 | 0 | 0 | 110.2 | Y40 D50 E51 Y75 R76 E78 | Y40-L42 WeakPolarHBondContact O-CD1 3.47Å; L42-D50 HydrophobicContact CB-CB 4.37Å; L42-D50 HydrophobicContact CD2-CB 4.04Å; L42-E51 CarbonylContact C-O 3.5Å; L42-E51 VanDerWaalsContact CA-O 3.26Å; L42-E51 WeakPolarHBondContact CA-O 3.29Å; L42-Y75 CarbonylContact O-C 3.54Å; L42-Y75 WeakPolarHBondContact O-CA 3.29Å; L42-Y75 WeakPolarHBondContact O-CB 3.45Å; L42-R76 HydrophobicContact CB-CG 3.93Å; L42-R76 HydrophobicContact CD1-CG 3.84Å; L42-R76 HydrophobicContact CG-CG 4.44Å; L42-R76 PolarHBondContact N-O 2.82Å; L42-R76 PolarHBondContact O-N 2.86Å; L42-E78 HydrophobicContact CD1-CB 4.18Å; L42-E78 HydrophobicContact CD1-CG 3.75Å |
| 43 | Q | 87.6 | Confident | 85.1 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 11% | 0.107 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122.9 | 159.2 | -175.9 | 174.6 | -23.3 | 0 | 0 | 108.2 | V45 D50 E51 L63 A65 Y75 | Q43-V45 PolarHBondContact O-N 2.82Å; Q43-D50 WeakPolarHBondContact O-CA 3.38Å; Q43-E51 HydrophobicContact CB-CB 4.31Å; Q43-E51 PolarHBondContact N-O 2.85Å; Q43-E51 PolarHBondContact O-N 2.87Å; Q43-L63 HydrophobicContact CB-CD2 4.23Å; Q43-A65 HydrophobicContact CB-CB 4.02Å; Q43-A65 PolarHBondContact OE1-O 2.86Å; Q43-Y75 HydrophobicContact CB-CD1 3.7Å; Q43-Y75 HydrophobicContact CB-CE1 3.46Å; Q43-Y75 VanDerWaalsContact CB-CE1 3.46Å; Q43-Y75 HydrophobicContact CG-CD1 4.01Å; Q43-Y75 HydrophobicContact CG-CE1 3.51Å; Q43-Y75 PolarHBondContact OE1-OH 3.18Å; Q43-Y75 VanDerWaalsContact OE1-OH 3.12Å |
| 44 | N | 84.4 | Confident | 85.5 | Confident | 46 Ų | 46 | 69.8 Ų | 69.8 | 25% | 0.246 | 34% | 0.341 | C | S | . | . | trans | -69.7 | 117.3 | 172.9 | -63.9 | -16 | 0 | 0 | 0 | 108.6 | D50 N74 R76 | N44-D50 WeakPolarHBondContact CA-OD1 3.5Å; N44-N74 HydrophobicContact CB-CB 4.19Å; N44-N74 PolarHBondContact N-O 3.01Å; N44-R76 PolarHBondContact OD1-NH1 2.78Å | ||
| 45 | V | 82.1 | Confident | 85.5 | Confident | 40 Ų | 40 | 60.6 Ų | 60.6 | 24% | 0.242 | 30% | 0.302 | C | S | . | . | trans | -107.7 | 107.5 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 108.6 | Q43 M47 W48 E51 | Q43-V45 PolarHBondContact O-N 2.82Å; V45-M47 PolarHBondContact O-N 2.87Å; V45-W48 HydrophobicContact CB-CB 4.06Å; V45-W48 HydrophobicContact CG1-CB 3.72Å; V45-W48 HydrophobicContact CG1-CG 4.1Å; V45-W48 PolarHBondContact O-N 2.82Å; V45-E51 HydrophobicContact CG2-CG 4.16Å | ||
| 46 | P | 76.4 | Confident | 85.5 | Confident | 106 Ų | 106 | 63.1 Ų | 63.1 | 69% | 0.688 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 128 | -178 | -25.1 | 33.9 | 0 | 0 | 0 | 111.5 | W48 | P46-W48 VanDerWaalsContact C-N 3.26Å; P46-W48 VanDerWaalsContact O-CD1 3.22Å; P46-W48 PolarHBondContact O-N 3.25Å |
| 47 | M | 81.6 | Confident | 85.1 | Confident | 187 Ų | 187 | 67.3 Ų | 67.3 | 92% | 0.921 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 8.8 | -179.1 | -47.9 | -177.2 | -71.1 | 0 | 0 | 116.1 | V45 | V45-M47 PolarHBondContact O-N 2.87Š|
| 48 | W | 81.2 | Confident | 84.5 | Confident | 200 Ų | 200 | 70.6 Ų | 70.6 | 76% | 0.758 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -133.1 | 174.5 | 178.3 | -60.7 | 93.5 | 0 | 0 | 0 | 111.6 | V45 P46 | V45-W48 HydrophobicContact CB-CB 4.06Å; V45-W48 HydrophobicContact CG1-CB 3.72Å; V45-W48 HydrophobicContact CG1-CG 4.1Å; V45-W48 PolarHBondContact O-N 2.82Å; P46-W48 VanDerWaalsContact C-N 3.26Å; P46-W48 VanDerWaalsContact O-CD1 3.22Å; P46-W48 PolarHBondContact O-N 3.25Å |
| 49 | I | 84.3 | Confident | 84.1 | Confident | 155 Ų | 155 | 74 Ų | 74 | 80% | 0.795 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 135 | 172.3 | -60 | 174.6 | 0 | 0 | 0 | 108.1 | E51 | I49-E51 PolarHBondContact O-N 3.11Š|
| 50 | D | 84.6 | Confident | 83.6 | Confident | 39 Ų | 39 | 79.4 Ų | 79.4 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 130.2 | 174 | -68.2 | -20.3 | 0 | 0 | 0 | 109.8 | L42 Q43 N44 T52 R76 | L42-D50 HydrophobicContact CB-CB 4.37Å; L42-D50 HydrophobicContact CD2-CB 4.04Å; Q43-D50 WeakPolarHBondContact O-CA 3.38Å; N44-D50 WeakPolarHBondContact CA-OD1 3.5Å; D50-T52 PolarHBondContact O-N 2.87Å; D50-R76 IonicContact OD2-CZ 3.18Å; D50-R76 IonicContact OD2-NH1 3.6Å; D50-R76 PolarHBondContact OD2-NH1 3.21Å; D50-R76 IonicContact OD2-NH2 3.39Å; D50-R76 PolarHBondContact OD2-NH2 2.82Å |
| 51 | E | 84.6 | Confident | 82.9 | Confident | 105 Ų | 105 | 76.2 Ų | 76.2 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 124.6 | 168.6 | -73.8 | -69.9 | 172.2 | 0 | 0 | 108.1 | L42 Q43 V45 I49 A65 | L42-E51 CarbonylContact C-O 3.5Å; L42-E51 VanDerWaalsContact CA-O 3.26Å; L42-E51 WeakPolarHBondContact CA-O 3.29Å; Q43-E51 HydrophobicContact CB-CB 4.31Å; Q43-E51 PolarHBondContact N-O 2.85Å; Q43-E51 PolarHBondContact O-N 2.87Å; V45-E51 HydrophobicContact CG2-CG 4.16Å; I49-E51 PolarHBondContact O-N 3.11Å; E51-A65 HydrophobicContact CB-CB 3.4Å; E51-A65 HydrophobicContact CG-CB 3.75Å |
| 52 | T | 87.9 | Confident | 82.7 | Confident | 70 Ų | 70 | 79.2 Ų | 79.2 | 43% | 0.429 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143 | -169.7 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | Y40 L41 D50 | Y40-T52 VanDerWaalsContact CD1-OG1 3.25Å; Y40-T52 WeakPolarHBondContact CD1-OG1 3.49Å; L41-T52 CarbonylContact O-C 3.56Å; L41-T52 VanDerWaalsContact O-CA 3.27Å; L41-T52 WeakPolarHBondContact O-CA 3.4Å; D50-T52 PolarHBondContact O-N 2.87Å |
| 53 | V | 87.7 | Confident | 82.3 | Confident | 37 Ų | 37 | 78.8 Ų | 78.8 | 22% | 0.224 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.3 | 166.9 | 64.9 | 0 | 0 | 0 | 0 | 110.1 | Y40 L41 V55 L63 | Y40-V53 WeakPolarHBondContact CA-O 3.33Å; L41-V53 HydrophobicContact CB-CG1 3.79Å; L41-V53 HydrophobicContact CD1-CG1 4.17Å; L41-V53 HydrophobicContact CG-CG1 4.17Å; L41-V53 PolarHBondContact N-O 2.89Å; L41-V53 PolarHBondContact O-N 2.72Å; V53-V55 HydrophobicContact CG1-CG2 3.98Å; V53-V55 HydrophobicContact CG2-CG2 4.35Å; V53-L63 HydrophobicContact CB-CD1 4.31Å; V53-L63 HydrophobicContact CG1-CB 3.91Å; V53-L63 HydrophobicContact CG1-CD1 3.94Å |
| 54 | K | 89.1 | Confident | 81.9 | Confident | 75 Ų | 75 | 85.4 Ų | 85.4 | 33% | 0.326 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 128.5 | 171.1 | -165.2 | -176.8 | -179.1 | -175.4 | 0 | 109.1 | Y38 Y40 Y56 | Y38-K54 HydrophobicContact CD2-CD 4Å; Y38-K54 HydrophobicContact CD2-CG 3.57Å; Y38-K54 VanDerWaalsContact CE1-CE 3.43Å; Y38-K54 HydrophobicContact CE2-CD 4.27Å; Y38-K54 HydrophobicContact CE2-CG 4.15Å; Y38-K54 HydrophobicContact CG-CD 4.16Å; Y38-K54 HydrophobicContact CG-CG 3.94Å; Y40-K54 HydrophobicContact CD1-CB 3.9Å; Y40-K54 HydrophobicContact CD1-CG 4.26Å; Y40-K54 HydrophobicContact CE1-CB 3.49Å; Y40-K54 VanDerWaalsContact CE1-CB 3.49Å; Y40-K54 HydrophobicContact CE1-CD 4.34Å; Y40-K54 HydrophobicContact CE1-CG 3.82Å; K54-Y56 PolarHBondContact NZ-OH 3.48Å |
| 55 | V | 85.4 | Confident | 81.1 | Confident | 8 Ų | 8 | 83.7 Ų | 83.7 | 5% | 0.048 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.6 | -178.9 | -150.7 | 0 | 0 | 0 | 0 | 109.9 | W28 Y38 V39 L41 V53 D59 | W28-V55 HydrophobicContact CH2-CB 3.51Å; W28-V55 HydrophobicContact CH2-CG1 3.22Å; W28-V55 HydrophobicContact CH2-CG2 4.4Å; W28-V55 HydrophobicContact CZ2-CB 4.25Å; W28-V55 HydrophobicContact CZ2-CG1 4.23Å; W28-V55 HydrophobicContact CZ3-CB 3.97Å; W28-V55 HydrophobicContact CZ3-CG1 3.75Å; W28-V55 HydrophobicContact CZ3-CG2 4.39Å; Y38-V55 CarbonylContact C-O 3.58Å; Y38-V55 VanDerWaalsContact CA-O 3.25Å; Y38-V55 WeakPolarHBondContact CA-O 3.36Å; Y38-V55 VanDerWaalsContact CB-O 3.31Å; Y38-V55 WeakPolarHBondContact CB-O 3.25Å; V39-V55 PolarHBondContact N-O 2.76Å; V39-V55 PolarHBondContact O-N 2.57Å; L41-V55 HydrophobicContact CD1-CG2 3.95Å; L41-V55 HydrophobicContact CG-CG2 3.96Å; V53-V55 HydrophobicContact CG1-CG2 3.98Å; V53-V55 HydrophobicContact CG2-CG2 4.35Å; V55-D59 HydrophobicContact CG1-CB 3.89Å |
| 56 | Y | 84.3 | Confident | 80.7 | Confident | 114 Ų | 114 | 83.2 Ų | 83.2 | 45% | 0.447 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 156.6 | -177.6 | -68.5 | -79.9 | 0 | 0 | 0 | 111.1 | W28 Y38 K54 G58 D59 | W28-Y56 WeakPolarHBondContact CZ2-O 3.39Å; Y38-Y56 HydrophobicContact CD1-CE1 4.47Å; K54-Y56 PolarHBondContact NZ-OH 3.48Å; Y56-G58 PolarHBondContact O-N 3.01Å; Y56-G58 VanDerWaalsContact O-N 3.13Å; Y56-D59 PolarHBondContact O-N 2.77Å; Y56-D59 VanDerWaalsContact O-N 3.12Å |
| 57 | K | 76.2 | Confident | 80.8 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 44% | 0.443 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 120.3 | 175.4 | 175 | -179.1 | -177 | -172.3 | 0 | 111.2 | F36 G37 | F36-K57 HydrophobicContact CD1-CB 3.88Å; F36-K57 HydrophobicContact CD1-CD 3.58Å; F36-K57 HydrophobicContact CD1-CG 3.71Å; F36-K57 HydrophobicContact CE1-CB 3.47Å; F36-K57 VanDerWaalsContact CE1-CB 3.47Å; F36-K57 HydrophobicContact CE1-CD 3.93Å; F36-K57 HydrophobicContact CE1-CG 3.48Å; F36-K57 VanDerWaalsContact CE1-CG 3.48Å; F36-K57 HydrophobicContact CZ-CB 4.04Å; F36-K57 HydrophobicContact CZ-CG 4.48Å; G37-K57 PolarHBondContact O-N 2.66Å; G37-K57 VanDerWaalsContact O-N 3.13Å |
| 58 | G | 72.6 | Confident | 81 | Confident | 73 Ų | 73 | 76 Ų | 76 | 75% | 0.753 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.9 | -10.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y56 | Y56-G58 PolarHBondContact O-N 3.01Å; Y56-G58 VanDerWaalsContact O-N 3.13Å |
| 59 | D | 80.4 | Confident | 81.4 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -87.8 | 169 | 177.6 | -65.1 | -24.6 | 0 | 0 | 0 | 111.7 | W28 V55 Y56 | W28-D59 WeakPolarHBondContact CH2-O 3.2Å; W28-D59 WeakPolarHBondContact CZ3-O 3.19Å; V55-D59 HydrophobicContact CG1-CB 3.89Å; Y56-D59 PolarHBondContact O-N 2.77Å; Y56-D59 VanDerWaalsContact O-N 3.12Å |
| 60 | I | 77.2 | Confident | 81.7 | Confident | 113 Ų | 113 | 60.2 Ų | 60.2 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 133.4 | 167.6 | -67.4 | 173.5 | 0 | 0 | 0 | 108.5 | I17 A25 | I17-I60 HydrophobicContact CD1-CD1 4.03Å; I17-I60 HydrophobicContact CD1-CG1 4.46Å; I17-I60 HydrophobicContact CD1-CG2 3.84Å; A25-I60 HydrophobicContact CB-CG2 4.18Å |
| 61 | G | 75.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 127.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.1 | A25 F26 | A25-G61 CarbonylContact C-O 3.56Å; A25-G61 VanDerWaalsContact CA-O 3.3Å; A25-G61 WeakPolarHBondContact CA-O 3.49Å; F26-G61 PolarHBondContact N-O 3.05Å; F26-G61 PolarHBondContact O-N 3.08Å |
| 62 | L | 82.9 | Confident | 82.2 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.346 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 96.5 | 173.7 | -169.9 | 69.4 | 0 | 0 | 0 | 109.8 | A23 A25 | A23-L62 HydrophobicContact CB-CD1 3.42Å; A23-L62 VanDerWaalsContact CB-CD1 3.42Å; A23-L62 HydrophobicContact CB-CD2 4.17Å; A23-L62 HydrophobicContact CB-CG 3.57Å; A25-L62 HydrophobicContact CB-CD1 4.34Å |
| 63 | L | 82.7 | Confident | 82.2 | Confident | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.8 | 177.2 | -179.5 | 61.8 | 0 | 0 | 0 | 108.9 | A23 M24 F26 L41 Q43 V53 A65 Y75 | A23-L63 CarbonylContact C-O 3.59Å; A23-L63 WeakPolarHBondContact CA-O 2.95Å; A23-L63 WeakPolarHBondContact CB-O 3.32Å; M24-L63 PolarHBondContact N-O 2.76Å; M24-L63 PolarHBondContact O-N 3.22Å; F26-L63 HydrophobicContact CD2-CB 4.22Å; F26-L63 HydrophobicContact CE2-CB 3.84Å; F26-L63 HydrophobicContact CE2-CD2 4.07Å; L41-L63 HydrophobicContact CB-CD2 4.47Å; Q43-L63 HydrophobicContact CB-CD2 4.23Å; V53-L63 HydrophobicContact CB-CD1 4.31Å; V53-L63 HydrophobicContact CG1-CB 3.91Å; V53-L63 HydrophobicContact CG1-CD1 3.94Å; L63-A65 HydrophobicContact CD1-CB 4.3Å; L63-A65 HydrophobicContact CG-CB 4.05Å; L63-A65 PolarHBondContact O-N 2.81Å; L63-Y75 HydrophobicContact CD2-CD1 3.69Å; L63-Y75 HydrophobicContact CD2-CE1 3.77Å |
| 64 | K | 78.8 | Confident | 82.2 | Confident | 163 Ų | 163 | 59.7 Ų | 59.7 | 71% | 0.709 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -74.7 | 36.6 | 177.3 | -66.9 | -174.4 | 177.2 | 179.8 | 0 | 113.3 | T22 A23 | T22-K64 CarbonylContact O-C 3.57Å; T22-K64 WeakPolarHBondContact O-CA 3.25Å; A23-K64 HydrophobicContact CB-CG 4.35Å |
| 65 | A | 66.6 | Low | 82.1 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | trans | -142.8 | 105 | 180 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q43 E51 L63 | Q43-A65 HydrophobicContact CB-CB 4.02Å; Q43-A65 PolarHBondContact OE1-O 2.86Å; E51-A65 HydrophobicContact CB-CB 3.4Å; E51-A65 HydrophobicContact CG-CB 3.75Å; L63-A65 HydrophobicContact CD1-CB 4.3Å; L63-A65 HydrophobicContact CG-CB 4.05Å; L63-A65 PolarHBondContact O-N 2.81Å | ||
| 66 | I | 74.5 | Confident | 82.2 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.159 | 31% | 0.31 | C | S | . | . | trans | -111.5 | 130.2 | 171.9 | -39.9 | -172.9 | 0 | 0 | 0 | 107.8 | Q20 A23 M24 | Q20-I66 WeakPolarHBondContact O-CD1 3.35Å; A23-I66 VanDerWaalsContact O-CD1 3.26Å; A23-I66 WeakPolarHBondContact O-CD1 3.43Å; M24-I66 HydrophobicContact CE-CB 4.47Å; M24-I66 HydrophobicContact CE-CG2 4.02Å; M24-I66 HydrophobicContact CG-CB 4.41Å; M24-I66 HydrophobicContact CG-CD1 3.91Å; M24-I66 HydrophobicContact CG-CG1 3.85Å; M24-I66 HydrophobicContact CG-CG2 3.93Å; M24-I66 HydrophobicContact SD-CG2 3.98Å | ||
| 67 | G | 79.1 | Confident | 82.3 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -51.6 | 158.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S73 Y75 R98 | G67-S73 WeakPolarHBondContact CA-OG 3.39Å; G67-Y75 PolarHBondContact N-OH 3.4Å; G67-R98 PolarHBondContact O-NE 2.93Å |
| 68 | Q | 85.8 | Confident | 82.9 | Confident | 137 Ų | 137 | 49.6 Ų | 49.6 | 64% | 0.64 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 143 | 172 | -63.5 | -178.9 | 7.3 | 0 | 0 | 110 | C70 V71 | Q68-C70 PolarHBondContact O-N 2.85Å; Q68-V71 HydrophobicContact CB-CB 4.17Å; Q68-V71 HydrophobicContact CB-CG2 4.1Å; Q68-V71 PolarHBondContact O-N 2.88Å; Q68-V71 VanDerWaalsContact O-N 3.17Å |
| 69 | A | 88.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -56.4 | 141.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V71 R98 P100 R123 | A69-V71 PolarHBondContact O-N 2.79Å; A69-V71 VanDerWaalsContact O-N 3.11Å; A69-R98 CarbonylContact C-O 3.57Å; A69-R98 WeakPolarHBondContact CA-O 3.32Å; A69-P100 HydrophobicContact CB-CB 4.25Å; A69-P100 HydrophobicContact CB-CG 4.05Å; A69-R123 HydrophobicContact CB-CG 3.99Å; A69-R123 WeakPolarHBondContact O-CD 3.46Å; A69-R123 PolarHBondContact O-NH1 3.37Å |
| 70 | C | 90.4 | Very high | 84.3 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3 | -176.5 | -49.9 | 0 | 0 | 0 | 0 | 116.8 | Q68 K97 R98 P100 C126 | Q68-C70 PolarHBondContact O-N 2.85Å; C70-K97 WeakPolarHBondContact O-CE 3.33Å; C70-R98 PolarHBondContact N-O 3.47Å; C70-P100 WeakPolarHBondContact SG-CG 3.34Å; C70-C126 WeakPolarHBondContact CA-SG 3.09Å; C70-C126 HydrophobicContact CB-CB 3.78Å; C70-C126 WeakPolarHBondContact CB-SG 3.26Å; C70-C126 WeakPolarHBondContact SG-CA 3.47Å; C70-C126 WeakPolarHBondContact SG-CB 3.15Å; C70-C126 PolarHBondContact SG-N 3.13Å; C70-C126 CovalentContact SG-SG 2.05Å; C70-C126 PolarHBondContact SG-SG 3.18Å |
| 71 | V | 90.4 | Very high | 84.9 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 38% | 0.382 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -109.4 | 128.1 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.8 | Q68 A69 S73 | Q68-V71 HydrophobicContact CB-CB 4.17Å; Q68-V71 HydrophobicContact CB-CG2 4.1Å; Q68-V71 PolarHBondContact O-N 2.88Å; Q68-V71 VanDerWaalsContact O-N 3.17Å; A69-V71 PolarHBondContact O-N 2.79Å; A69-V71 VanDerWaalsContact O-N 3.11Å; V71-S73 PolarHBondContact O-N 3.32Å |
| 72 | V | 89.1 | Confident | 85.3 | Confident | 80 Ų | 80 | 43.5 Ų | 43.5 | 49% | 0.485 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121.3 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | T95 K97 | V72-T95 HydrophobicContact CG1-CG2 4.14Å; V72-K97 HydrophobicContact CG2-CB 4.13Å; V72-K97 HydrophobicContact CG2-CD 4.3Å; V72-K97 HydrophobicContact CG2-CG 4.39Å |
| 73 | S | 88 | Confident | 85.2 | Confident | 15 Ų | 15 | 43.4 Ų | 43.4 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.7 | 174.5 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | G67 V71 Y75 T95 Y96 | G67-S73 WeakPolarHBondContact CA-OG 3.39Å; V71-S73 PolarHBondContact O-N 3.32Å; S73-Y75 WeakPolarHBondContact O-CD2 3.44Å; S73-T95 WeakPolarHBondContact O-CA 3.47Å; S73-Y96 PolarHBondContact N-O 2.94Å; S73-Y96 PolarHBondContact O-N 3.18Å |
| 74 | N | 88.9 | Confident | 85.1 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.5 | -179.9 | -63.4 | -61.7 | 0 | 0 | 0 | 109.4 | N44 T95 | N44-N74 HydrophobicContact CB-CB 4.19Å; N44-N74 PolarHBondContact N-O 3.01Å; N74-T95 WeakPolarHBondContact OD1-CG2 3.37Å |
| 75 | Y | 87.5 | Confident | 85.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 158.4 | 175.3 | -58.3 | -99.6 | 0 | 0 | 0 | 109.8 | M24 F26 L42 Q43 L63 G67 S73 M94 | M24-Y75 HydrophobicContact CE-CD1 4.35Å; M24-Y75 HydrophobicContact CE-CE1 3.47Å; M24-Y75 VanDerWaalsContact CE-CE1 3.47Å; M24-Y75 HydrophobicContact CE-CE2 3.91Å; M24-Y75 WeakPolarHBondContact CE-OH 3.5Å; F26-Y75 HydrophobicContact CZ-CD1 4.41Å; L42-Y75 CarbonylContact O-C 3.54Å; L42-Y75 WeakPolarHBondContact O-CA 3.29Å; L42-Y75 WeakPolarHBondContact O-CB 3.45Å; Q43-Y75 HydrophobicContact CB-CD1 3.7Å; Q43-Y75 HydrophobicContact CB-CE1 3.46Å; Q43-Y75 VanDerWaalsContact CB-CE1 3.46Å; Q43-Y75 HydrophobicContact CG-CD1 4.01Å; Q43-Y75 HydrophobicContact CG-CE1 3.51Å; Q43-Y75 PolarHBondContact OE1-OH 3.18Å; Q43-Y75 VanDerWaalsContact OE1-OH 3.12Å; L63-Y75 HydrophobicContact CD2-CD1 3.69Å; L63-Y75 HydrophobicContact CD2-CE1 3.77Å; G67-Y75 PolarHBondContact N-OH 3.4Å; S73-Y75 WeakPolarHBondContact O-CD2 3.44Å; Y75-M94 HydrophobicContact CD2-CG 4.37Å; Y75-M94 HydrophobicContact CG-CG 4.4Å; Y75-M94 HydrophobicContact CG-SD 4.45Å; Y75-M94 PolarHBondContact N-O 2.74Å; Y75-M94 PolarHBondContact O-N 3.24Å |
| 76 | R | 86.6 | Confident | 86.2 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 148.7 | 169 | 63.2 | -173.8 | -165.7 | -116 | 3.7 | 111.5 | L42 N44 D50 E78 T91 Y92 | L42-R76 HydrophobicContact CB-CG 3.93Å; L42-R76 HydrophobicContact CD1-CG 3.84Å; L42-R76 HydrophobicContact CG-CG 4.44Å; L42-R76 PolarHBondContact N-O 2.82Å; L42-R76 PolarHBondContact O-N 2.86Å; N44-R76 PolarHBondContact OD1-NH1 2.78Å; D50-R76 IonicContact OD2-CZ 3.18Å; D50-R76 IonicContact OD2-NH1 3.6Å; D50-R76 PolarHBondContact OD2-NH1 3.21Å; D50-R76 IonicContact OD2-NH2 3.39Å; D50-R76 PolarHBondContact OD2-NH2 2.82Å; R76-E78 WeakPolarHBondContact CD-OE1 3.34Å; R76-E78 HydrophobicContact CG-CG 4.45Å; R76-E78 IonicContact CZ-OE1 3.15Å; R76-E78 IonicContact NE-OE1 2.96Å; R76-E78 PolarHBondContact NE-OE1 2.92Å; R76-E78 IonicContact NH2-OE1 2.76Å; R76-E78 PolarHBondContact NH2-OE1 3.03Å; R76-T91 HydrophobicContact CB-CG2 4.26Å; R76-Y92 CarbonylContact C-O 3.59Å; R76-Y92 WeakPolarHBondContact CA-O 3.48Å; R76-Y92 VanDerWaalsContact CB-O 3.3Å; R76-Y92 WeakPolarHBondContact CB-O 3.42Å |
| 77 | A | 86.5 | Confident | 86.8 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 120.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | F14 V39 Y40 L41 T91 Y92 | F14-A77 HydrophobicContact CD2-CB 3.79Å; F14-A77 HydrophobicContact CE2-CB 3.88Å; F14-A77 HydrophobicContact CG-CB 4.44Å; F14-A77 HydrophobicContact CZ-CB 4.47Å; V39-A77 HydrophobicContact CG1-CB 3.96Å; Y40-A77 CarbonylContact O-C 3.48Å; Y40-A77 WeakPolarHBondContact O-CA 3.38Å; L41-A77 HydrophobicContact CD2-CB 3.76Å; A77-T91 CarbonylContact O-C 3.56Å; A77-T91 WeakPolarHBondContact O-CA 3.38Å; A77-Y92 PolarHBondContact N-O 2.7Å; A77-Y92 PolarHBondContact O-N 3.11Å |
| 78 | E | 89.7 | Confident | 87.4 | Confident | 23 Ų | 23 | 58.2 Ų | 58.2 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 116.9 | -175.1 | -69.2 | -179.3 | -177.2 | 0 | 0 | 109.9 | V39 Y40 L42 R76 Y80 N88 M90 T91 | V39-E78 CarbonylContact C-O 3.49Å; V39-E78 VanDerWaalsContact CA-O 3.22Å; V39-E78 WeakPolarHBondContact CA-O 3.07Å; Y40-E78 PolarHBondContact N-O 2.98Å; Y40-E78 PolarHBondContact O-N 3.15Å; L42-E78 HydrophobicContact CD1-CB 4.18Å; L42-E78 HydrophobicContact CD1-CG 3.75Å; R76-E78 WeakPolarHBondContact CD-OE1 3.34Å; R76-E78 HydrophobicContact CG-CG 4.45Å; R76-E78 IonicContact CZ-OE1 3.15Å; R76-E78 IonicContact NE-OE1 2.96Å; R76-E78 PolarHBondContact NE-OE1 2.92Å; R76-E78 IonicContact NH2-OE1 2.76Å; R76-E78 PolarHBondContact NH2-OE1 3.03Å; E78-Y80 HydrophobicContact CB-CD2 4.23Å; E78-Y80 HydrophobicContact CB-CE2 3.61Å; E78-Y80 WeakPolarHBondContact O-CD2 3.21Å; E78-Y80 PolarHBondContact OE2-OH 3.24Å; E78-Y80 VanDerWaalsContact OE2-OH 3.12Å; E78-N88 WeakPolarHBondContact CB-ND2 3.39Å; E78-M90 CarbonylContact C-O 3.6Å; E78-M90 WeakPolarHBondContact CA-O 3.03Å; E78-T91 HydrophobicContact CG-CG2 4.01Å |
| 79 | G | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | N88 F89 M90 | G79-N88 WeakPolarHBondContact O-CA 3.29Å; G79-F89 VanDerWaalsContact C-CD1 3.5Å; G79-F89 WeakPolarHBondContact O-CD1 3.46Å; G79-F89 WeakPolarHBondContact O-CE1 3.49Å; G79-F89 PolarHBondContact O-N 3.16Å; G79-M90 PolarHBondContact N-O 3.06Å |
| 80 | Y | 91.9 | Very high | 87.5 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 146.3 | -179 | -78.4 | -97.7 | 0 | 0 | 0 | 113.6 | G37 Y38 Y40 E78 A86 S87 N88 F89 | G37-Y80 PolarHBondContact N-O 2.98Å; Y38-Y80 HydrophobicContact CD2-CD2 4.4Å; Y38-Y80 HydrophobicContact CD2-CG 4.38Å; Y38-Y80 HydrophobicContact CE2-CD1 4.35Å; Y38-Y80 AromaticContact CE2-CD2 3.8Å; Y38-Y80 HydrophobicContact CE2-CD2 3.8Å; Y38-Y80 AromaticContact CE2-CG 3.58Å; Y38-Y80 HydrophobicContact CE2-CG 3.58Å; Y38-Y80 AromaticContact CZ-CG 3.78Å; Y38-Y80 PolarHBondContact N-O 3.19Å; Y38-Y80 PolarHBondContact O-N 3.09Å; Y40-Y80 AromaticContact CD2-CD2 3.74Å; Y40-Y80 HydrophobicContact CD2-CD2 3.74Å; Y40-Y80 AromaticContact CD2-CE2 3.52Å; Y40-Y80 HydrophobicContact CD2-CE2 3.52Å; Y40-Y80 HydrophobicContact CE2-CD2 4.38Å; Y40-Y80 HydrophobicContact CE2-CE2 4.27Å; Y40-Y80 HydrophobicContact CG-CE2 4.5Å; E78-Y80 HydrophobicContact CB-CD2 4.23Å; E78-Y80 HydrophobicContact CB-CE2 3.61Å; E78-Y80 WeakPolarHBondContact O-CD2 3.21Å; E78-Y80 PolarHBondContact OE2-OH 3.24Å; E78-Y80 VanDerWaalsContact OE2-OH 3.12Å; Y80-A86 HydrophobicContact CD1-CB 4.27Å; Y80-S87 WeakPolarHBondContact CA-O 3.34Å; Y80-N88 HydrophobicContact CD1-CB 4.43Å; Y80-N88 HydrophobicContact CE1-CB 3.92Å; Y80-N88 HydrophobicContact CE2-CB 4.31Å; Y80-F89 VanDerWaalsContact C-CE1 3.46Å; Y80-F89 VanDerWaalsContact N-CE1 3.3Å; Y80-F89 WeakPolarHBondContact O-CE1 3.34Å |
| 81 | T | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 155.6 | 172.7 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | H33 N35 D83 A86 S87 F89 | H33-T81 WeakPolarHBondContact CE1-CG2 3.26Å; H33-T81 WeakPolarHBondContact ND1-CG2 3.09Å; N35-T81 HydrophobicContact CB-CG2 4.36Å; N35-T81 CarbonylContact O-C 3.45Å; N35-T81 WeakPolarHBondContact O-CA 3.34Å; N35-T81 WeakPolarHBondContact O-CB 3.4Å; T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 WeakPolarHBondContact CB-OD2 3.47Å; T81-D83 PolarHBondContact OG1-OD2 2.84Å; T81-A86 WeakPolarHBondContact O-CA 3.48Å; T81-A86 VanDerWaalsContact O-CB 3.26Å; T81-A86 WeakPolarHBondContact O-CB 3.32Å; T81-S87 PolarHBondContact N-O 3.15Å; T81-S87 VanDerWaalsContact N-O 3.08Å; T81-S87 PolarHBondContact OG1-N 2.89Å; T81-S87 PolarHBondContact OG1-OG 2.8Å; T81-F89 HydrophobicContact CG2-CD1 3.75Å; T81-F89 HydrophobicContact CG2-CE1 4.48Å |
| 82 | N | 83.2 | Confident | 87.2 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | trans | -90.6 | 19.1 | 171 | -88.7 | -8.6 | 0 | 0 | 0 | 112.8 | N35 G37 | N35-N82 PolarHBondContact O-N 2.05Å; G37-N82 VanDerWaalsContact CA-ND2 3.29Å; G37-N82 WeakPolarHBondContact CA-ND2 3.46Å; G37-N82 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 83 | D | 82.3 | Confident | 87 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 35% | 0.348 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -69 | 165.1 | 177.4 | -61.9 | -47.8 | 0 | 0 | 0 | 111.1 | N35 T81 L85 A86 | N35-D83 VanDerWaalsContact CG-OD1 3.27Å; N35-D83 VanDerWaalsContact ND2-CG 3.3Å; N35-D83 PolarHBondContact ND2-OD1 2.68Å; N35-D83 PolarHBondContact ND2-OD2 2.97Å; N35-D83 VanDerWaalsContact ND2-OD2 3.07Å; T81-D83 VanDerWaalsContact C-N 3.27Å; T81-D83 WeakPolarHBondContact CB-OD2 3.47Å; T81-D83 PolarHBondContact OG1-OD2 2.84Å; D83-L85 CarbonylContact O-C 3.43Å; D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 VanDerWaalsContact O-N 3.08Å; D83-A86 PolarHBondContact O-N 3.41Å |
| 84 | F | 80.3 | Confident | 86.8 | Confident | 206 Ų | 206 | 62.8 Ų | 62.8 | 90% | 0.904 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -50.8 | -37 | 178.7 | -179.7 | -99.3 | 0 | 0 | 0 | 112.3 | ||
| 85 | L | 83.7 | Confident | 86.7 | Confident | 139 Ų | 139 | 62.8 Ų | 62.8 | 73% | 0.728 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -110.3 | 102 | 163.7 | -64 | 175.6 | 0 | 0 | 0 | 108.1 | D83 S87 | D83-L85 CarbonylContact O-C 3.43Å; D83-L85 PolarHBondContact O-N 3.48Å; D83-L85 VanDerWaalsContact O-N 3.08Å; L85-S87 PolarHBondContact O-N 3.1Å |
| 86 | A | 84.9 | Confident | 86.5 | Confident | 48 Ų | 48 | 64 Ų | 64 | 40% | 0.397 | 33% | 0.325 | S | S | . | . | trans | -57.9 | 124.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y38 Y80 T81 D83 | Y38-A86 HydrophobicContact CE1-CB 4.46Å; Y38-A86 WeakPolarHBondContact OH-CB 3.36Å; Y80-A86 HydrophobicContact CD1-CB 4.27Å; T81-A86 WeakPolarHBondContact O-CA 3.48Å; T81-A86 VanDerWaalsContact O-CB 3.26Å; T81-A86 WeakPolarHBondContact O-CB 3.32Å; D83-A86 PolarHBondContact O-N 3.41Å | ||
| 87 | S | 87.5 | Confident | 86.4 | Confident | 61 Ų | 61 | 63 Ų | 63 | 43% | 0.427 | 32% | 0.322 | S | S | . | . | trans | -116.3 | 138.9 | 177 | 54.7 | 0 | 0 | 0 | 0 | 110 | Y80 T81 L85 F89 | Y80-S87 WeakPolarHBondContact CA-O 3.34Å; T81-S87 PolarHBondContact N-O 3.15Å; T81-S87 VanDerWaalsContact N-O 3.08Å; T81-S87 PolarHBondContact OG1-N 2.89Å; T81-S87 PolarHBondContact OG1-OG 2.8Å; L85-S87 PolarHBondContact O-N 3.1Å; S87-F89 PolarHBondContact O-N 3.02Å | ||
| 88 | N | 90.5 | Very high | 86.4 | Confident | 65 Ų | 65 | 63.6 Ų | 63.6 | 35% | 0.348 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 125.8 | 166.4 | 175.8 | -77 | 0 | 0 | 0 | 107.6 | E78 G79 Y80 M90 T91 | E78-N88 WeakPolarHBondContact CB-ND2 3.39Å; G79-N88 WeakPolarHBondContact O-CA 3.29Å; Y80-N88 HydrophobicContact CD1-CB 4.43Å; Y80-N88 HydrophobicContact CE1-CB 3.92Å; Y80-N88 HydrophobicContact CE2-CB 4.31Å; N88-M90 PolarHBondContact ND2-O 3.19Å; N88-M90 PolarHBondContact OD1-N 3.07Å; N88-T91 PolarHBondContact ND2-OG1 3.28Å; N88-T91 VanDerWaalsContact ND2-OG1 3.15Å; N88-T91 PolarHBondContact OD1-OG1 3.17Å |
| 89 | F | 89.1 | Confident | 86.4 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -11.5 | 177.1 | 66.2 | -99.9 | 0 | 0 | 0 | 112.7 | L31 H33 F36 G79 Y80 T81 S87 | L31-F89 HydrophobicContact CB-CE2 3.99Å; L31-F89 HydrophobicContact CB-CZ 3.83Å; L31-F89 HydrophobicContact CD1-CE2 4.35Å; L31-F89 HydrophobicContact CD1-CZ 4.07Å; H33-F89 HydrophobicContact CB-CD1 3.97Å; H33-F89 HydrophobicContact CB-CD2 3.85Å; H33-F89 HydrophobicContact CB-CE1 3.82Å; H33-F89 HydrophobicContact CB-CE2 3.74Å; H33-F89 HydrophobicContact CB-CG 3.99Å; H33-F89 HydrophobicContact CB-CZ 3.72Å; H33-F89 AromaticContact CD2-CG 3.82Å; H33-F89 AromaticContact CG-CD1 3.98Å; H33-F89 AromaticContact CG-CG 3.93Å; F36-F89 HydrophobicContact CB-CZ 4.43Å; F36-F89 AromaticContact CD2-CE1 3.8Å; F36-F89 HydrophobicContact CD2-CE1 3.8Å; F36-F89 AromaticContact CD2-CZ 3.62Å; F36-F89 HydrophobicContact CD2-CZ 3.62Å; F36-F89 HydrophobicContact CE2-CZ 4.26Å; F36-F89 HydrophobicContact CG-CZ 4.29Å; G79-F89 VanDerWaalsContact C-CD1 3.5Å; G79-F89 WeakPolarHBondContact O-CD1 3.46Å; G79-F89 WeakPolarHBondContact O-CE1 3.49Å; G79-F89 PolarHBondContact O-N 3.16Å; Y80-F89 VanDerWaalsContact C-CE1 3.46Å; Y80-F89 VanDerWaalsContact N-CE1 3.3Å; Y80-F89 WeakPolarHBondContact O-CE1 3.34Å; T81-F89 HydrophobicContact CG2-CD1 3.75Å; T81-F89 HydrophobicContact CG2-CE1 4.48Å; S87-F89 PolarHBondContact O-N 3.02Å |
| 90 | M | 87.9 | Confident | 86.4 | Confident | 79 Ų | 79 | 62.6 Ų | 62.6 | 39% | 0.389 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 140.8 | -177.1 | -169.7 | 64.7 | 69.4 | 0 | 0 | 110.5 | E78 G79 N88 Y92 | E78-M90 CarbonylContact C-O 3.6Å; E78-M90 WeakPolarHBondContact CA-O 3.03Å; G79-M90 PolarHBondContact N-O 3.06Å; N88-M90 PolarHBondContact ND2-O 3.19Å; N88-M90 PolarHBondContact OD1-N 3.07Å; M90-Y92 HydrophobicContact CG-CD2 3.93Å; M90-Y92 HydrophobicContact CG-CE2 3.32Å; M90-Y92 HydrophobicContact SD-CE2 4.26Å |
| 91 | T | 88.5 | Confident | 86.2 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 30% | 0.301 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 127.1 | 172.6 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | R76 A77 E78 N88 | R76-T91 HydrophobicContact CB-CG2 4.26Å; A77-T91 CarbonylContact O-C 3.56Å; A77-T91 WeakPolarHBondContact O-CA 3.38Å; E78-T91 HydrophobicContact CG-CG2 4.01Å; N88-T91 PolarHBondContact ND2-OG1 3.28Å; N88-T91 VanDerWaalsContact ND2-OG1 3.15Å; N88-T91 PolarHBondContact OD1-OG1 3.17Å |
| 92 | Y | 85.5 | Confident | 86.1 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.6 | 171.4 | -69.4 | -83.8 | 0 | 0 | 0 | 109.6 | N12 L31 R76 A77 M90 | N12-Y92 HydrophobicContact CB-CE1 4.32Å; L31-Y92 HydrophobicContact CD2-CD2 4.2Å; L31-Y92 HydrophobicContact CD2-CE2 3.51Å; R76-Y92 CarbonylContact C-O 3.59Å; R76-Y92 WeakPolarHBondContact CA-O 3.48Å; R76-Y92 VanDerWaalsContact CB-O 3.3Å; R76-Y92 WeakPolarHBondContact CB-O 3.42Å; A77-Y92 PolarHBondContact N-O 2.7Å; A77-Y92 PolarHBondContact O-N 3.11Å; M90-Y92 HydrophobicContact CG-CD2 3.93Å; M90-Y92 HydrophobicContact CG-CE2 3.32Å; M90-Y92 HydrophobicContact SD-CE2 4.26Å |
| 93 | H | 85.8 | Confident | 86.2 | Confident | 141 Ų | 141 | 58 Ų | 58 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 145.4 | 173.6 | -65 | -80.8 | 0 | 0 | 0 | 110.2 | ||
| 94 | M | 82.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 164.4 | 172.2 | 77 | -156.9 | 68.6 | 0 | 0 | 110.6 | F14 F26 Y75 | F14-M94 HydrophobicContact CB-CE 4.12Å; F14-M94 HydrophobicContact CD1-CE 2.94Å; F14-M94 HydrophobicContact CD1-SD 3.11Å; F14-M94 WeakPolarHBondContact CD1-SD 3.3Å; F14-M94 HydrophobicContact CD2-CE 4.3Å; F14-M94 HydrophobicContact CE1-CE 3.11Å; F14-M94 HydrophobicContact CE1-SD 3.08Å; F14-M94 WeakPolarHBondContact CE1-SD 3.41Å; F14-M94 HydrophobicContact CG-CE 3.54Å; F14-M94 HydrophobicContact CG-SD 4.25Å; F14-M94 HydrophobicContact CZ-CE 3.95Å; F14-M94 HydrophobicContact CZ-SD 4.27Å; F26-M94 HydrophobicContact CE1-SD 4.28Å; Y75-M94 HydrophobicContact CD2-CG 4.37Å; Y75-M94 HydrophobicContact CG-CG 4.4Å; Y75-M94 HydrophobicContact CG-SD 4.45Å; Y75-M94 PolarHBondContact N-O 2.74Å; Y75-M94 PolarHBondContact O-N 3.24Å |
| 95 | T | 86 | Confident | 86.6 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.6 | 170.2 | 62.5 | 0 | 0 | 0 | 0 | 109.7 | V72 S73 N74 | V72-T95 HydrophobicContact CG1-CG2 4.14Å; S73-T95 WeakPolarHBondContact O-CA 3.47Å; N74-T95 WeakPolarHBondContact OD1-CG2 3.37Å |
| 96 | Y | 83.6 | Confident | 86.6 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.2 | 177 | -171.9 | -102.5 | 0 | 0 | 0 | 110.1 | V16 E19 M24 S73 R98 | V16-Y96 HydrophobicContact CB-CE2 4.46Å; V16-Y96 HydrophobicContact CG2-CD2 3.89Å; V16-Y96 HydrophobicContact CG2-CE2 3.96Å; V16-Y96 HydrophobicContact CG2-CG 4.37Å; E19-Y96 WeakPolarHBondContact CG-OH 3.2Å; E19-Y96 WeakPolarHBondContact OE1-CE1 3.07Å; E19-Y96 PolarHBondContact OE1-OH 3.13Å; M24-Y96 HydrophobicContact CE-CD1 4.11Å; M24-Y96 HydrophobicContact SD-CD1 3.5Å; M24-Y96 VanDerWaalsContact SD-CD1 3.5Å; M24-Y96 HydrophobicContact SD-CE1 3.54Å; M24-Y96 VanDerWaalsContact SD-CE1 3.54Å; M24-Y96 HydrophobicContact SD-CG 4.15Å; S73-Y96 PolarHBondContact N-O 2.94Å; S73-Y96 PolarHBondContact O-N 3.18Å; Y96-R98 HydrophobicContact CD1-CB 4.49Å; Y96-R98 HydrophobicContact CE1-CB 3.9Å |
| 97 | K | 85.8 | Confident | 86.3 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 16% | 0.161 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 110.6 | 179.6 | -178.5 | -170.9 | 178.4 | -168 | 0 | 105.2 | C70 V72 E127 H176 R179 | C70-K97 WeakPolarHBondContact O-CE 3.33Å; V72-K97 HydrophobicContact CG2-CB 4.13Å; V72-K97 HydrophobicContact CG2-CD 4.3Å; V72-K97 HydrophobicContact CG2-CG 4.39Å; K97-E127 IonicContact NZ-OE1 3.28Å; K97-H176 PolarHBondContact NZ-NE2 2.83Å; K97-R179 WeakPolarHBondContact O-CD 3.38Å; K97-R179 PolarHBondContact O-NH1 3.42Å |
| 98 | R | 86.4 | Confident | 85.8 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 5% | 0.049 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 144 | -177.3 | 175.9 | 165.6 | 70.3 | 82.9 | -2 | 111 | E19 G67 A69 C70 Y96 E122 | E19-R98 VanDerWaalsContact OE1-CD 3.26Å; E19-R98 WeakPolarHBondContact OE1-CD 3.36Å; E19-R98 WeakPolarHBondContact OE1-CG 3.45Å; G67-R98 PolarHBondContact O-NE 2.93Å; A69-R98 CarbonylContact C-O 3.57Å; A69-R98 WeakPolarHBondContact CA-O 3.32Å; C70-R98 PolarHBondContact N-O 3.47Å; Y96-R98 HydrophobicContact CD1-CB 4.49Å; Y96-R98 HydrophobicContact CE1-CB 3.9Å; R98-E122 IonicContact CZ-OE1 3.87Å; R98-E122 IonicContact CZ-OE2 3.43Å; R98-E122 IonicContact NH1-OE1 3.82Å; R98-E122 IonicContact NH1-OE2 3.95Å; R98-E122 PolarHBondContact NH1-OE2 2.92Å; R98-E122 IonicContact NH2-OE1 3.45Å; R98-E122 PolarHBondContact NH2-OE1 3.09Å; R98-E122 IonicContact NH2-OE2 3.44Å; R98-E122 PolarHBondContact NH2-OE2 2.66Å |
| 99 | V | 88.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 136.4 | 171.9 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | R101 N174 H176 R179 S181 | V99-R101 PolarHBondContact O-N 2.91Å; V99-N174 HydrophobicContact CG1-CB 3.64Å; V99-H176 HydrophobicContact CG1-CB 4.21Å; V99-H176 HydrophobicContact CG2-CB 3.83Å; V99-R179 HydrophobicContact CG2-CB 3.65Å; V99-S181 WeakPolarHBondContact O-CB 3.26Å |
| 100 | P | 89.5 | Confident | 84.1 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 134.7 | 176.5 | -26.2 | 32.7 | 0 | 0 | 0 | 111.5 | A69 C70 R123 S124 C126 N174 S181 | A69-P100 HydrophobicContact CB-CB 4.25Å; A69-P100 HydrophobicContact CB-CG 4.05Å; C70-P100 WeakPolarHBondContact SG-CG 3.34Å; P100-R123 HydrophobicContact CB-CG 3.75Å; P100-R123 HydrophobicContact CG-CG 3.69Å; P100-S124 WeakPolarHBondContact CG-O 3.36Å; P100-C126 WeakPolarHBondContact CD-SG 3.13Å; P100-N174 PolarHBondContact O-ND2 3.12Å; P100-S181 VanDerWaalsContact O-CB 3.25Å; P100-S181 WeakPolarHBondContact O-CB 3.48Å; P100-S181 PolarHBondContact O-OG 2.98Å |
| 101 | R | 87.6 | Confident | 82.9 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 152.1 | -179.5 | -66.4 | -175.1 | -178.2 | 144.8 | -0.5 | 112.3 | Q20 T21 V99 R121 E122 L182 | Q20-R101 PolarHBondContact O-NH2 2.78Å; T21-R101 VanDerWaalsContact C-NH1 3.28Å; T21-R101 VanDerWaalsContact CA-NH1 3.27Å; T21-R101 PolarHBondContact O-NH1 3.19Å; V99-R101 PolarHBondContact O-N 2.91Å; R101-R121 VanDerWaalsContact O-CA 3.3Å; R101-R121 WeakPolarHBondContact O-CA 3.26Å; R101-E122 PolarHBondContact O-N 3.23Å; R101-L182 WeakPolarHBondContact CG-O 3.19Å |
| 102 | I | 88.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 137 | 165.1 | -61.6 | 178.1 | 0 | 0 | 0 | 108.2 | V105 W119 E120 T132 L172 N174 T184 | I102-V105 HydrophobicContact CG2-CG2 3.73Å; I102-W119 HydrophobicContact CG2-CB 3.67Å; I102-W119 HydrophobicContact CG2-CG 3.82Å; I102-E120 WeakPolarHBondContact CA-O 3.45Å; I102-T132 HydrophobicContact CD1-CG2 3.86Å; I102-L172 HydrophobicContact CD1-CB 3.71Å; I102-N174 WeakPolarHBondContact CG1-ND2 3.31Å; I102-T184 PolarHBondContact O-N 3.13Å; I102-T184 PolarHBondContact O-OG1 3.08Å |
| 103 | N | 86.6 | Confident | 80.7 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 21% | 0.209 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 170.1 | 175.4 | 59.8 | -18.9 | 0 | 0 | 0 | 110 | V105 E120 R121 | N103-V105 VanDerWaalsContact C-N 3.3Å; N103-V105 PolarHBondContact O-N 3.28Å; N103-E120 PolarHBondContact N-O 2.88Å; N103-E120 PolarHBondContact O-N 2.9Å; N103-E120 WeakPolarHBondContact OD1-CA 3.48Å; N103-E120 WeakPolarHBondContact OD1-CB 3.14Å; N103-E120 PolarHBondContact OD1-O 3.12Å; N103-E120 VanDerWaalsContact OD1-O 3.06Å; N103-R121 WeakPolarHBondContact OD1-CA 3.18Å; N103-R121 PolarHBondContact OD1-N 2.66Å; N103-R121 VanDerWaalsContact OD1-N 3.1Å |
| 104 | N | 85.8 | Confident | 79.8 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.3 | 48.9 | 173.5 | -64.9 | -33.4 | 0 | 0 | 0 | 113.4 | Q106 E120 D186 | N104-Q106 PolarHBondContact O-N 2.64Å; N104-E120 HydrophobicContact CB-CB 4.14Å; N104-E120 HydrophobicContact CB-CG 4.09Å; N104-E120 PolarHBondContact ND2-OE2 2.84Å; N104-D186 PolarHBondContact OD1-OD2 3.38Å |
| 105 | V | 85.4 | Confident | 79.4 | Confident | 59 Ų | 59 | 56 Ų | 56 | 36% | 0.358 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 120.8 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | I102 N103 M117 R118 W119 | I102-V105 HydrophobicContact CG2-CG2 3.73Å; N103-V105 VanDerWaalsContact C-N 3.3Å; N103-V105 PolarHBondContact O-N 3.28Å; V105-M117 HydrophobicContact CG1-CE 3.1Å; V105-R118 WeakPolarHBondContact CA-O 3.14Å; V105-W119 HydrophobicContact CG2-CB 4.04Å |
| 106 | Q | 83.8 | Confident | 79.2 | Confident | 94 Ų | 94 | 52.3 Ų | 52.3 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.4 | 179.8 | -66.1 | 175.4 | 10.4 | 0 | 0 | 109.4 | N104 M117 R118 | N104-Q106 PolarHBondContact O-N 2.64Å; Q106-M117 CarbonylContact O-C 3.34Å; Q106-M117 WeakPolarHBondContact O-CA 3.38Å; Q106-R118 PolarHBondContact N-O 3.5Å; Q106-R118 PolarHBondContact O-N 2.74Å |
| 107 | I | 78.8 | Confident | 79.3 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 33% | 0.328 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 114.9 | 176.3 | -56.8 | 171.4 | 0 | 0 | 0 | 106.6 | M117 F170 | I107-M117 HydrophobicContact CD1-CE 4.16Å; I107-M117 HydrophobicContact CG1-CE 4.05Å; I107-M117 HydrophobicContact CG1-CG 4.39Å; I107-F170 HydrophobicContact CD1-CD2 3.58Å; I107-F170 HydrophobicContact CD1-CE2 3.9Å; I107-F170 HydrophobicContact CD1-CG 4.22Å |
| 108 | E | 75.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125 | 177.2 | -67.7 | 179.8 | -178.4 | 0 | 0 | 109.6 | K110 S115 H116 | E108-K110 PolarHBondContact O-N 3.02Å; E108-S115 CarbonylContact O-C 3.46Å; E108-S115 WeakPolarHBondContact O-CA 3.46Å; E108-H116 PolarHBondContact N-O 2.93Å; E108-H116 PolarHBondContact O-N 3.28Å |
| 109 | L | 72.7 | Confident | 79.8 | Confident | 87 Ų | 87 | 54.4 Ų | 54.4 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 99.8 | 167.5 | -76.7 | 157.3 | 0 | 0 | 0 | 108.2 | S115 V193 | L109-S115 WeakPolarHBondContact CD2-OG 3.25Å; L109-V193 HydrophobicContact CD1-CG1 3.66Å; L109-V193 HydrophobicContact CD1-CG2 4.23Å |
| 110 | K | 71 | Confident | 79.9 | Confident | 101 Ų | 101 | 59 Ų | 59 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -24.9 | 178.1 | -79.5 | -174.1 | 173.1 | 172.7 | 0 | 112.4 | E108 Y114 H116 | E108-K110 PolarHBondContact O-N 3.02Å; K110-Y114 HydrophobicContact CB-CD2 3.7Å; K110-Y114 HydrophobicContact CB-CE2 3.02Å; K110-Y114 HydrophobicContact CD-CE2 3.89Å; K110-Y114 HydrophobicContact CG-CE2 4.06Å; K110-Y114 PolarHBondContact N-O 2.71Å; K110-H116 HydrophobicContact CD-CB 3.87Å; K110-H116 VanDerWaalsContact CE-ND1 3.29Å; K110-H116 WeakPolarHBondContact CE-ND1 3.4Å; K110-H116 HydrophobicContact CG-CB 4.22Å; K110-H116 PolarHBondContact NZ-CE1 3.06Å; K110-H116 PolarHBondContact NZ-ND1 2.98Å |
| 111 | S | 64.1 | Low | 79.8 | Confident | 44 Ų | 44 | 61.7 Ų | 61.7 | 31% | 0.308 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 176.4 | 161.5 | 85.8 | 0 | 0 | 0 | 0 | 111.3 | L113 Y114 | S111-L113 PolarHBondContact O-N 3.47Å; S111-L113 PolarHBondContact OG-N 2.9Å; S111-L113 VanDerWaalsContact OG-N 3.07Å; S111-Y114 PolarHBondContact N-O 2.87Å; S111-Y114 PolarHBondContact O-N 3.26Å; S111-Y114 WeakPolarHBondContact OG-CD1 3.34Å; S111-Y114 WeakPolarHBondContact OG-CE1 3.48Å |
| 112 | I | 63.1 | Low | 79.8 | Confident | 154 Ų | 154 | 65.5 Ų | 65.5 | 79% | 0.79 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -27.4 | 173.7 | -59.6 | 171.3 | 0 | 0 | 0 | 112.4 | ||
| 113 | L | 64.3 | Low | 79.9 | Confident | 122 Ų | 122 | 70.4 Ų | 70.4 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -16.1 | -172.7 | -65.6 | 174.5 | 0 | 0 | 0 | 114.7 | S111 | S111-L113 PolarHBondContact O-N 3.47Å; S111-L113 PolarHBondContact OG-N 2.9Å; S111-L113 VanDerWaalsContact OG-N 3.07Å |
| 114 | Y | 66.5 | Low | 80 | Confident | 93 Ų | 93 | 72.1 Ų | 72.1 | 37% | 0.365 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 132 | -174.2 | 64.7 | -86.9 | 0 | 0 | 0 | 113.5 | K110 S111 V157 | K110-Y114 HydrophobicContact CB-CD2 3.7Å; K110-Y114 HydrophobicContact CB-CE2 3.02Å; K110-Y114 HydrophobicContact CD-CE2 3.89Å; K110-Y114 HydrophobicContact CG-CE2 4.06Å; K110-Y114 PolarHBondContact N-O 2.71Å; S111-Y114 PolarHBondContact N-O 2.87Å; S111-Y114 PolarHBondContact O-N 3.26Å; S111-Y114 WeakPolarHBondContact OG-CD1 3.34Å; S111-Y114 WeakPolarHBondContact OG-CE1 3.48Å; Y114-V157 VanDerWaalsContact CA-O 3.25Å; Y114-V157 WeakPolarHBondContact CA-O 3.22Å; Y114-V157 WeakPolarHBondContact CB-O 3.13Å |
| 115 | S | 73.7 | Confident | 80.3 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139 | 166.7 | -53.1 | 0 | 0 | 0 | 0 | 108.4 | E108 L109 V157 | E108-S115 CarbonylContact O-C 3.46Å; E108-S115 WeakPolarHBondContact O-CA 3.46Å; L109-S115 WeakPolarHBondContact CD2-OG 3.25Å; S115-V157 PolarHBondContact N-O 2.85Å; S115-V157 WeakPolarHBondContact O-CB 3.42Å; S115-V157 WeakPolarHBondContact O-CG2 3.41Å; S115-V157 PolarHBondContact O-N 2.84Å |
| 116 | H | 82.3 | Confident | 80.6 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117 | 171.6 | -177.8 | -153.8 | 0 | 0 | 0 | 107.7 | E108 K110 R118 E154 H156 | E108-H116 PolarHBondContact N-O 2.93Å; E108-H116 PolarHBondContact O-N 3.28Å; K110-H116 HydrophobicContact CD-CB 3.87Å; K110-H116 VanDerWaalsContact CE-ND1 3.29Å; K110-H116 WeakPolarHBondContact CE-ND1 3.4Å; K110-H116 HydrophobicContact CG-CB 4.22Å; K110-H116 PolarHBondContact NZ-CE1 3.06Å; K110-H116 PolarHBondContact NZ-ND1 2.98Å; H116-R118 VanDerWaalsContact CE1-CD 3.4Å; H116-R118 WeakPolarHBondContact CE1-CD 3.03Å; H116-E154 IonicContact CE1-OE2 3.62Å; H116-E154 PolarHBondContact CE1-OE2 3.46Å; H116-E154 VanDerWaalsContact CE1-OE2 3.25Å; H116-E154 IonicContact NE2-OE2 2.86Å; H116-E154 PolarHBondContact NE2-OE2 2.78Å; H116-H156 AromaticContact CD2-CE1 3.49Å; H116-H156 PolarHBondContact CD2-CE1 2.66Å; H116-H156 VanDerWaalsContact CD2-CE1 3.49Å; H116-H156 AromaticContact CD2-ND1 3.67Å; H116-H156 AromaticContact NE2-CE1 3.69Å |
| 117 | M | 86.4 | Confident | 81 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.4 | 176.8 | -175.4 | 168 | -147.5 | 0 | 0 | 109.2 | V105 Q106 I107 W119 E154 Y155 F170 L172 | V105-M117 HydrophobicContact CG1-CE 3.1Å; Q106-M117 CarbonylContact O-C 3.34Å; Q106-M117 WeakPolarHBondContact O-CA 3.38Å; I107-M117 HydrophobicContact CD1-CE 4.16Å; I107-M117 HydrophobicContact CG1-CE 4.05Å; I107-M117 HydrophobicContact CG1-CG 4.39Å; M117-W119 HydrophobicContact CG-CE3 4.07Å; M117-W119 HydrophobicContact CG-CZ3 4.17Å; M117-E154 CarbonylContact O-C 3.59Å; M117-E154 WeakPolarHBondContact O-CA 3.41Å; M117-E154 WeakPolarHBondContact O-CB 3.45Å; M117-Y155 PolarHBondContact N-O 3.45Å; M117-Y155 PolarHBondContact O-N 3.15Å; M117-F170 HydrophobicContact CE-CB 3.77Å; M117-F170 HydrophobicContact CE-CD1 4.35Å; M117-F170 HydrophobicContact CE-CG 4.13Å; M117-F170 HydrophobicContact SD-CB 4.31Å; M117-F170 HydrophobicContact SD-CD1 3.85Å; M117-F170 HydrophobicContact SD-CE1 4.45Å; M117-F170 HydrophobicContact SD-CG 4.23Å; M117-L172 HydrophobicContact CE-CD1 3.12Å; M117-L172 HydrophobicContact CE-CD2 3.87Å; M117-L172 HydrophobicContact CE-CG 4.13Å; M117-L172 HydrophobicContact SD-CD1 3.84Å; M117-L172 HydrophobicContact SD-CD2 3.98Å; M117-L172 HydrophobicContact SD-CG 4.44Å |
| 118 | R | 90.7 | Very high | 81.6 | Confident | 114 Ų | 114 | 71.4 Ų | 71.4 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.4 | 174.4 | -56.9 | -178.7 | 76.7 | -179.9 | -3.1 | 109.4 | V105 Q106 H116 V153 E154 | V105-R118 WeakPolarHBondContact CA-O 3.14Å; Q106-R118 PolarHBondContact N-O 3.5Å; Q106-R118 PolarHBondContact O-N 2.74Å; H116-R118 VanDerWaalsContact CE1-CD 3.4Å; H116-R118 WeakPolarHBondContact CE1-CD 3.03Å; R118-V153 WeakPolarHBondContact CA-O 2.85Å; R118-E154 HydrophobicContact CG-CB 3.98Å; R118-E154 IonicContact NE-OE2 2.64Å |
| 119 | W | 91.5 | Very high | 82.4 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 3% | 0.034 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 161 | 174.9 | 59.1 | 92.3 | 0 | 0 | 0 | 110.9 | I102 V105 M117 T132 I134 I148 Q152 V153 L172 | I102-W119 HydrophobicContact CG2-CB 3.67Å; I102-W119 HydrophobicContact CG2-CG 3.82Å; V105-W119 HydrophobicContact CG2-CB 4.04Å; M117-W119 HydrophobicContact CG-CE3 4.07Å; M117-W119 HydrophobicContact CG-CZ3 4.17Å; W119-T132 HydrophobicContact CZ2-CG2 4.14Å; W119-I134 HydrophobicContact CH2-CD1 4.2Å; W119-I134 HydrophobicContact CZ3-CD1 4.46Å; W119-I148 HydrophobicContact CH2-CD1 3.42Å; W119-I148 VanDerWaalsContact CH2-CD1 3.42Å; W119-I148 HydrophobicContact CZ2-CD1 3.64Å; W119-Q152 VanDerWaalsContact CZ2-O 3.26Å; W119-Q152 WeakPolarHBondContact CZ2-O 3.49Å; W119-V153 PolarHBondContact N-O 2.9Å; W119-V153 WeakPolarHBondContact O-CB 3.38Å; W119-L172 HydrophobicContact CD2-CD2 3.8Å; W119-L172 HydrophobicContact CE3-CD2 3.58Å; W119-L172 HydrophobicContact CG-CD2 4.32Å; W119-L172 HydrophobicContact CZ3-CD2 4Å |
| 120 | E | 91 | Very high | 83.4 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 45% | 0.453 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 170.1 | 169.9 | -67.1 | 176.6 | -168.2 | 0 | 0 | 110 | I102 N103 N104 | I102-E120 WeakPolarHBondContact CA-O 3.45Å; N103-E120 PolarHBondContact N-O 2.88Å; N103-E120 PolarHBondContact O-N 2.9Å; N103-E120 WeakPolarHBondContact OD1-CA 3.48Å; N103-E120 WeakPolarHBondContact OD1-CB 3.14Å; N103-E120 PolarHBondContact OD1-O 3.12Å; N103-E120 VanDerWaalsContact OD1-O 3.06Å; N104-E120 HydrophobicContact CB-CB 4.14Å; N104-E120 HydrophobicContact CB-CG 4.09Å; N104-E120 PolarHBondContact ND2-OE2 2.84Å |
| 121 | R | 87.7 | Confident | 84.5 | Confident | 60 Ų | 60 | 65.6 Ų | 65.6 | 23% | 0.226 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.7 | 172.4 | -64.1 | 174.6 | -72.8 | 168.1 | -12.3 | 109.1 | R101 N103 R123 S150 | R101-R121 VanDerWaalsContact O-CA 3.3Å; R101-R121 WeakPolarHBondContact O-CA 3.26Å; N103-R121 WeakPolarHBondContact OD1-CA 3.18Å; N103-R121 PolarHBondContact OD1-N 2.66Å; N103-R121 VanDerWaalsContact OD1-N 3.1Å; R121-R123 VanDerWaalsContact CB-O 3.29Å; R121-R123 WeakPolarHBondContact CB-O 3.33Å; R121-R123 PolarHBondContact O-N 2.77Å; R121-S150 PolarHBondContact NH1-O 3.28Å; R121-S150 PolarHBondContact NH2-O 2.82Å |
| 122 | E | 86.9 | Confident | 85.9 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 44% | 0.444 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -56 | -35.8 | 172.1 | -177.5 | -169.8 | -179.3 | 0 | 0 | 112.1 | R98 R101 | R98-E122 IonicContact CZ-OE1 3.87Å; R98-E122 IonicContact CZ-OE2 3.43Å; R98-E122 IonicContact NH1-OE1 3.82Å; R98-E122 IonicContact NH1-OE2 3.95Å; R98-E122 PolarHBondContact NH1-OE2 2.92Å; R98-E122 IonicContact NH2-OE1 3.45Å; R98-E122 PolarHBondContact NH2-OE1 3.09Å; R98-E122 IonicContact NH2-OE2 3.44Å; R98-E122 PolarHBondContact NH2-OE2 2.66Å; R101-E122 PolarHBondContact O-N 3.23Å |
| 123 | R | 89.6 | Confident | 87.3 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 39% | 0.385 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -156.7 | 175.1 | 172.8 | 63.3 | 175.5 | -60.9 | 160.6 | 8.3 | 111.7 | A69 P100 R121 | A69-R123 HydrophobicContact CB-CG 3.99Å; A69-R123 WeakPolarHBondContact O-CD 3.46Å; A69-R123 PolarHBondContact O-NH1 3.37Å; P100-R123 HydrophobicContact CB-CG 3.75Å; P100-R123 HydrophobicContact CG-CG 3.69Å; R121-R123 VanDerWaalsContact CB-O 3.29Å; R121-R123 WeakPolarHBondContact CB-O 3.33Å; R121-R123 PolarHBondContact O-N 2.77Å |
| 124 | S | 90.1 | Very high | 88.5 | Confident | 75 Ų | 75 | 51.3 Ų | 51.3 | 52% | 0.524 | 27% | 0.265 | S | S | . | . | trans | -55.8 | 158 | 170.1 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | P100 | P100-S124 WeakPolarHBondContact CG-O 3.36Š| ||
| 125 | A | 91.7 | Very high | 89.6 | Confident | 27 Ų | 27 | 49.8 Ų | 49.8 | 22% | 0.223 | 26% | 0.261 | C | S | . | . | trans | -49.1 | 151.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.9 | D130 S150 | A125-D130 HydrophobicContact CB-CB 4.02Å; A125-S150 VanDerWaalsContact CB-OG 3.24Å; A125-S150 WeakPolarHBondContact CB-OG 3.43Å | ||
| 126 | C | 91.6 | Very high | 90.2 | Very high | 30 Ų | 30 | 50.9 Ų | 50.9 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.1 | -40.2 | 175.8 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | C70 P100 D130 | C70-C126 WeakPolarHBondContact CA-SG 3.09Å; C70-C126 HydrophobicContact CB-CB 3.78Å; C70-C126 WeakPolarHBondContact CB-SG 3.26Å; C70-C126 WeakPolarHBondContact SG-CA 3.47Å; C70-C126 WeakPolarHBondContact SG-CB 3.15Å; C70-C126 PolarHBondContact SG-N 3.13Å; C70-C126 CovalentContact SG-SG 2.05Å; C70-C126 PolarHBondContact SG-SG 3.18Å; P100-C126 WeakPolarHBondContact CD-SG 3.13Å; C126-D130 WeakPolarHBondContact CA-OD2 3.08Å; C126-D130 WeakPolarHBondContact CB-OD2 3.11Å; C126-D130 PolarHBondContact N-OD2 2.94Å |
| 127 | E | 92.5 | Very high | 90.2 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -138.7 | 157.5 | 178.4 | -68.6 | 176.7 | -161.2 | 0 | 0 | 110.8 | K97 T129 D130 H176 | K97-E127 IonicContact NZ-OE1 3.28Å; E127-T129 PolarHBondContact O-N 3.11Å; E127-D130 PolarHBondContact N-OD2 2.73Å; E127-D130 VanDerWaalsContact O-CB 3.29Å; E127-D130 WeakPolarHBondContact O-CB 3.32Å; E127-D130 VanDerWaalsContact O-CG 3.25Å; E127-D130 PolarHBondContact O-N 3.32Å; E127-D130 VanDerWaalsContact O-N 3.11Å; E127-H176 IonicContact OE1-CE1 2.78Å; E127-H176 PolarHBondContact OE1-CE1 2.91Å; E127-H176 IonicContact OE2-CE1 3.28Å |
| 128 | S | 89.6 | Confident | 90.1 | Very high | 117 Ų | 117 | 53.1 Ų | 53.1 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.2 | 179.7 | 56 | 0 | 0 | 0 | 0 | 113.6 | D130 | S128-D130 VanDerWaalsContact C-N 3.34Š|
| 129 | T | 92.5 | Very high | 89.5 | Confident | 104 Ų | 104 | 50.9 Ų | 50.9 | 64% | 0.638 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8.7 | 175.6 | 43.2 | 0 | 0 | 0 | 0 | 113.2 | E127 | E127-T129 PolarHBondContact O-N 3.11Š|
| 130 | D | 93.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | trans | -62.6 | 149 | 177.3 | -67.3 | -6.3 | 0 | 0 | 0 | 110.4 | A125 C126 E127 S128 S150 I175 H176 | A125-D130 HydrophobicContact CB-CB 4.02Å; C126-D130 WeakPolarHBondContact CA-OD2 3.08Å; C126-D130 WeakPolarHBondContact CB-OD2 3.11Å; C126-D130 PolarHBondContact N-OD2 2.94Å; E127-D130 PolarHBondContact N-OD2 2.73Å; E127-D130 VanDerWaalsContact O-CB 3.29Å; E127-D130 WeakPolarHBondContact O-CB 3.32Å; E127-D130 VanDerWaalsContact O-CG 3.25Å; E127-D130 PolarHBondContact O-N 3.32Å; E127-D130 VanDerWaalsContact O-N 3.11Å; S128-D130 VanDerWaalsContact C-N 3.34Å; D130-S150 VanDerWaalsContact C-CB 3.44Å; D130-S150 WeakPolarHBondContact CB-OG 3.26Å; D130-S150 WeakPolarHBondContact O-CB 3.07Å; D130-S150 PolarHBondContact O-N 3.04Å; D130-S150 PolarHBondContact O-OG 3.37Å; D130-I175 WeakPolarHBondContact CA-O 3.35Å; D130-I175 WeakPolarHBondContact CB-O 3.3Å; D130-H176 IonicContact OD1-CE1 2.87Å; D130-H176 IonicContact OD1-CG 2.71Å; D130-H176 IonicContact OD1-ND1 3.48Å; D130-H176 PolarHBondContact OD1-ND1 3.36Å; D130-H176 IonicContact OD2-ND1 3.84Å | ||
| 131 | S | 94.5 | Very high | 88.7 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 25% | 0.245 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.9 | -176.5 | -62.5 | 0 | 0 | 0 | 0 | 111.3 | I148 N174 I175 | S131-I148 CarbonylContact C-O 3.6Å; S131-I148 WeakPolarHBondContact CA-O 3.33Å; S131-N174 CarbonylContact O-C 3.56Å; S131-N174 WeakPolarHBondContact O-CA 3.39Å; S131-I175 PolarHBondContact N-O 2.82Å; S131-I175 PolarHBondContact O-N 2.82Å |
| 132 | T | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 127.4 | 165.7 | -59.5 | 0 | 0 | 0 | 0 | 108 | I102 W119 I134 I148 F173 N174 | I102-T132 HydrophobicContact CD1-CG2 3.86Å; W119-T132 HydrophobicContact CZ2-CG2 4.14Å; T132-I134 HydrophobicContact CG2-CG1 4.45Å; T132-I148 HydrophobicContact CG2-CG1 4.42Å; T132-I148 PolarHBondContact N-O 3.22Å; T132-I148 WeakPolarHBondContact O-CG1 3.45Å; T132-I148 PolarHBondContact O-N 3.27Å; T132-F173 CarbonylContact C-O 3.54Å; T132-F173 WeakPolarHBondContact CA-O 3.3Å; T132-N174 PolarHBondContact OG1-OD1 3.31Å |
| 133 | I | 92.3 | Very high | 88.7 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 132.8 | 170.8 | -62.5 | -157.5 | 0 | 0 | 0 | 109.1 | F135 M145 F146 I147 L172 F173 I175 | I133-F135 HydrophobicContact CG2-CD2 3.85Å; I133-F135 HydrophobicContact CG2-CE2 3.5Å; I133-F135 VanDerWaalsContact CG2-CE2 3.5Å; I133-F135 HydrophobicContact CG2-CZ 3.98Å; I133-M145 HydrophobicContact CD1-SD 4.1Å; I133-M145 HydrophobicContact CG2-CG 3.72Å; I133-M145 HydrophobicContact CG2-SD 4.27Å; I133-F146 WeakPolarHBondContact CA-O 3.38Å; I133-I147 HydrophobicContact CD1-CD1 4.38Å; I133-I147 HydrophobicContact CD1-CG1 4.27Å; I133-I147 HydrophobicContact CG1-CG1 4.21Å; I133-L172 WeakPolarHBondContact O-CA 3.28Å; I133-F173 PolarHBondContact N-O 2.89Å; I133-F173 PolarHBondContact O-N 3.44Å; I133-I175 HydrophobicContact CB-CD1 4.35Å; I133-I175 HydrophobicContact CD1-CD1 3.18Å; I133-I175 HydrophobicContact CD1-CG1 4.29Å; I133-I175 HydrophobicContact CG1-CD1 3.45Å; I133-I175 VanDerWaalsContact CG1-CD1 3.45Å; I133-I175 HydrophobicContact CG1-CG1 4.04Å |
| 134 | I | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116 | 171.9 | -52.2 | 174.4 | 0 | 0 | 0 | 107.5 | W119 T132 M145 F146 I148 Y155 I171 L172 | W119-I134 HydrophobicContact CH2-CD1 4.2Å; W119-I134 HydrophobicContact CZ3-CD1 4.46Å; T132-I134 HydrophobicContact CG2-CG1 4.45Å; I134-M145 WeakPolarHBondContact O-CA 3.39Å; I134-F146 HydrophobicContact CB-CB 4.3Å; I134-F146 PolarHBondContact N-O 2.79Å; I134-F146 PolarHBondContact O-N 2.94Å; I134-I148 HydrophobicContact CD1-CD1 3.76Å; I134-I148 HydrophobicContact CD1-CG1 4.38Å; I134-I148 HydrophobicContact CG1-CD1 4.47Å; I134-Y155 HydrophobicContact CD1-CD1 3.93Å; I134-Y155 HydrophobicContact CD1-CD2 4Å; I134-Y155 HydrophobicContact CD1-CG 3.64Å; I134-I171 CarbonylContact C-O 3.54Å; I134-I171 WeakPolarHBondContact CA-O 3.35Å; I134-L172 HydrophobicContact CG1-CD2 4.39Å; I134-L172 HydrophobicContact CG1-CG 4.26Å; I134-L172 HydrophobicContact CG2-CG 4.5Å |
| 135 | F | 89.4 | Confident | 88.8 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.6 | 162 | -67.6 | -83.4 | 0 | 0 | 0 | 108.9 | I133 L143 Q144 M145 F170 I171 F173 | I133-F135 HydrophobicContact CG2-CD2 3.85Å; I133-F135 HydrophobicContact CG2-CE2 3.5Å; I133-F135 VanDerWaalsContact CG2-CE2 3.5Å; I133-F135 HydrophobicContact CG2-CZ 3.98Å; F135-L143 HydrophobicContact CB-CB 4.08Å; F135-L143 HydrophobicContact CB-CD1 3.88Å; F135-L143 HydrophobicContact CD1-CB 4.32Å; F135-Q144 CarbonylContact C-O 3.47Å; F135-Q144 WeakPolarHBondContact CA-O 3.43Å; F135-M145 HydrophobicContact CD1-CB 4.07Å; F135-M145 HydrophobicContact CD1-CG 4.32Å; F135-M145 HydrophobicContact CE1-CB 3.8Å; F135-M145 HydrophobicContact CE1-CG 3.83Å; F135-M145 HydrophobicContact CE1-SD 4.18Å; F135-M145 HydrophobicContact CZ-CG 4.08Å; F135-M145 HydrophobicContact CZ-SD 4.11Å; F135-F170 CarbonylContact O-C 3.57Å; F135-F170 WeakPolarHBondContact O-CA 3.17Å; F135-I171 HydrophobicContact CB-CB 4.13Å; F135-I171 HydrophobicContact CB-CG1 4.4Å; F135-I171 PolarHBondContact N-O 3.34Å; F135-I171 PolarHBondContact O-N 2.91Å; F135-F173 HydrophobicContact CD2-CD2 4.23Å; F135-F173 AromaticContact CD2-CE2 3.96Å; F135-F173 HydrophobicContact CD2-CE2 3.96Å; F135-F173 HydrophobicContact CE2-CD2 4.27Å; F135-F173 HydrophobicContact CE2-CE2 4.15Å |
| 136 | R | 85.8 | Confident | 88.8 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.4 | -178.6 | 177 | -167.9 | 173.2 | -146.9 | -3.8 | 110.5 | L143 Q144 F146 N158 E168 V169 F170 | R136-L143 CarbonylContact O-C 3.59Å; R136-L143 WeakPolarHBondContact O-CA 3.37Å; R136-Q144 PolarHBondContact N-O 2.96Å; R136-Q144 PolarHBondContact O-N 2.88Å; R136-F146 HydrophobicContact CB-CD2 4.39Å; R136-F146 HydrophobicContact CB-CE2 4.05Å; R136-N158 PolarHBondContact NH1-O 3.47Å; R136-E168 IonicContact CZ-OE1 3.94Å; R136-E168 VanDerWaalsContact CZ-OE1 3.28Å; R136-E168 IonicContact NE-OE1 3.25Å; R136-E168 PolarHBondContact NE-OE1 2.92Å; R136-E168 IonicContact NH2-OE1 3.26Å; R136-E168 PolarHBondContact NH2-OE1 3.33Å; R136-V169 WeakPolarHBondContact CA-O 3.37Å; R136-F170 HydrophobicContact CB-CD1 4.19Å; R136-F170 HydrophobicContact CB-CE1 4.35Å; R136-F170 HydrophobicContact CG-CD1 3.95Å; R136-F170 HydrophobicContact CG-CE1 3.65Å; R136-F170 HydrophobicContact CG-CZ 4.32Å |
| 137 | G | 82.5 | Confident | 88.8 | Confident | 13 Ų | 13 | 66.6 Ų | 66.6 | 13% | 0.134 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -161.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E168 V169 | G137-E168 CarbonylContact O-C 3.59Å; G137-E168 WeakPolarHBondContact O-CA 3.15Å; G137-V169 PolarHBondContact N-O 3.24Å; G137-V169 PolarHBondContact O-N 2.94Å |
| 138 | Y | 83.4 | Confident | 88.9 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 146.5 | 172.1 | -55.9 | -74.7 | 0 | 0 | 0 | 110.1 | T140 Q141 K161 M166 E167 | Y138-T140 PolarHBondContact O-N 2.86Å; Y138-Q141 PolarHBondContact O-N 2.93Å; Y138-K161 PolarHBondContact OH-O 3Å; Y138-M166 HydrophobicContact CD1-CB 3.59Å; Y138-M166 HydrophobicContact CD1-CG 4.33Å; Y138-M166 HydrophobicContact CE1-CB 4Å; Y138-M166 HydrophobicContact CG-CB 4.26Å; Y138-E167 CarbonylContact C-O 3.58Å; Y138-E167 WeakPolarHBondContact CA-O 3.39Å |
| 139 | S | 80.1 | Confident | 89 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 47% | 0.469 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.3 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 114.6 | E167 | S139-E167 PolarHBondContact N-O 2.85Š|
| 140 | T | 81.2 | Confident | 89 | Confident | 105 Ų | 105 | 55.6 Ų | 55.6 | 64% | 0.644 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 0.2 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | Y138 | Y138-T140 PolarHBondContact O-N 2.86Š|
| 141 | Q | 83.9 | Confident | 88.7 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 49% | 0.486 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -126.9 | 165.4 | -173.4 | -62.6 | -176.3 | 7.8 | 0 | 0 | 111.7 | Y138 L143 | Y138-Q141 PolarHBondContact O-N 2.93Å; Q141-L143 PolarHBondContact O-N 2.96Å |
| 142 | Q | 86.4 | Confident | 88.6 | Confident | 185 Ų | 185 | 61.8 Ų | 61.8 | 86% | 0.864 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 126.5 | 172.3 | -173.3 | 174.1 | 9.6 | 0 | 0 | 110.1 | ||
| 143 | L | 88.2 | Confident | 88.5 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 136.9 | 177 | -52.8 | -178.5 | 0 | 0 | 0 | 110.3 | F135 R136 Q141 V169 I171 | F135-L143 HydrophobicContact CB-CB 4.08Å; F135-L143 HydrophobicContact CB-CD1 3.88Å; F135-L143 HydrophobicContact CD1-CB 4.32Å; R136-L143 CarbonylContact O-C 3.59Å; R136-L143 WeakPolarHBondContact O-CA 3.37Å; Q141-L143 PolarHBondContact O-N 2.96Å; L143-V169 HydrophobicContact CD2-CB 4.42Å; L143-I171 HydrophobicContact CD1-CD1 3.78Å; L143-I171 HydrophobicContact CD1-CG1 4.3Å |
| 144 | Q | 89.5 | Confident | 88.4 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 139.5 | 169.4 | -65.2 | -178.1 | -5.4 | 0 | 0 | 109.7 | F135 R136 F146 | F135-Q144 CarbonylContact C-O 3.47Å; F135-Q144 WeakPolarHBondContact CA-O 3.43Å; R136-Q144 PolarHBondContact N-O 2.96Å; R136-Q144 PolarHBondContact O-N 2.88Å; Q144-F146 HydrophobicContact CB-CE2 3.68Å; Q144-F146 HydrophobicContact CB-CZ 3.96Å |
| 145 | M | 91.7 | Very high | 88.3 | Confident | 104 Ų | 104 | 69.4 Ų | 69.4 | 51% | 0.512 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.8 | 179 | -174.3 | -175.6 | 68.1 | 0 | 0 | 110.1 | I133 I134 F135 I147 | I133-M145 HydrophobicContact CD1-SD 4.1Å; I133-M145 HydrophobicContact CG2-CG 3.72Å; I133-M145 HydrophobicContact CG2-SD 4.27Å; I134-M145 WeakPolarHBondContact O-CA 3.39Å; F135-M145 HydrophobicContact CD1-CB 4.07Å; F135-M145 HydrophobicContact CD1-CG 4.32Å; F135-M145 HydrophobicContact CE1-CB 3.8Å; F135-M145 HydrophobicContact CE1-CG 3.83Å; F135-M145 HydrophobicContact CE1-SD 4.18Å; F135-M145 HydrophobicContact CZ-CG 4.08Å; F135-M145 HydrophobicContact CZ-SD 4.11Å; M145-I147 HydrophobicContact CE-CD1 3.99Å; M145-I147 HydrophobicContact CE-CG1 4.28Å |
| 146 | F | 91.4 | Very high | 88.1 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 23% | 0.232 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.2 | 172.4 | -55.5 | -90.2 | 0 | 0 | 0 | 108.7 | I133 I134 R136 Q144 Y155 | I133-F146 WeakPolarHBondContact CA-O 3.38Å; I134-F146 HydrophobicContact CB-CB 4.3Å; I134-F146 PolarHBondContact N-O 2.79Å; I134-F146 PolarHBondContact O-N 2.94Å; R136-F146 HydrophobicContact CB-CD2 4.39Å; R136-F146 HydrophobicContact CB-CE2 4.05Å; Q144-F146 HydrophobicContact CB-CE2 3.68Å; Q144-F146 HydrophobicContact CB-CZ 3.96Å; F146-Y155 WeakPolarHBondContact CD1-OH 3.2Å; F146-Y155 WeakPolarHBondContact CE1-OH 3.34Å |
| 147 | I | 92.9 | Very high | 87.7 | Confident | 102 Ų | 102 | 70 Ų | 70 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 123.8 | 176.6 | -53 | -178.6 | 0 | 0 | 0 | 107.1 | I133 M145 | I133-I147 HydrophobicContact CD1-CD1 4.38Å; I133-I147 HydrophobicContact CD1-CG1 4.27Å; I133-I147 HydrophobicContact CG1-CG1 4.21Å; M145-I147 HydrophobicContact CE-CD1 3.99Å; M145-I147 HydrophobicContact CE-CG1 4.28Å |
| 148 | I | 93.3 | Very high | 87.3 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 163.4 | -180 | 63.2 | 169.4 | 0 | 0 | 0 | 109.8 | W119 S131 T132 I134 S150 Q152 Y155 | W119-I148 HydrophobicContact CH2-CD1 3.42Å; W119-I148 VanDerWaalsContact CH2-CD1 3.42Å; W119-I148 HydrophobicContact CZ2-CD1 3.64Å; S131-I148 CarbonylContact C-O 3.6Å; S131-I148 WeakPolarHBondContact CA-O 3.33Å; T132-I148 HydrophobicContact CG2-CG1 4.42Å; T132-I148 PolarHBondContact N-O 3.22Å; T132-I148 WeakPolarHBondContact O-CG1 3.45Å; T132-I148 PolarHBondContact O-N 3.27Å; I134-I148 HydrophobicContact CD1-CD1 3.76Å; I134-I148 HydrophobicContact CD1-CG1 4.38Å; I134-I148 HydrophobicContact CG1-CD1 4.47Å; I148-S150 PolarHBondContact O-N 2.87Å; I148-Q152 HydrophobicContact CD1-CB 4.16Å; I148-Y155 HydrophobicContact CG2-CD2 4.18Å; I148-Y155 HydrophobicContact CG2-CE2 4.25Å |
| 149 | S | 93.2 | Very high | 86.4 | Confident | 47 Ų | 47 | 79.3 Ų | 79.3 | 33% | 0.329 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138 | 176.7 | 173.6 | 0 | 0 | 0 | 0 | 110.1 | S151 Q152 | S149-S151 PolarHBondContact O-N 3.47Å; S149-S151 VanDerWaalsContact O-N 3.08Å; S149-S151 PolarHBondContact OG-N 3.26Å; S149-S151 VanDerWaalsContact OG-N 3.15Å; S149-S151 PolarHBondContact OG-OG 3.22Å; S149-Q152 WeakPolarHBondContact O-CB 3.27Å; S149-Q152 PolarHBondContact O-N 2.85Å |
| 150 | S | 90.6 | Very high | 85.7 | Confident | 5 Ų | 5 | 77.8 Ų | 77.8 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.1 | 172.7 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | R121 A125 D130 I148 Q152 | R121-S150 PolarHBondContact NH1-O 3.28Å; R121-S150 PolarHBondContact NH2-O 2.82Å; A125-S150 VanDerWaalsContact CB-OG 3.24Å; A125-S150 WeakPolarHBondContact CB-OG 3.43Å; D130-S150 VanDerWaalsContact C-CB 3.44Å; D130-S150 WeakPolarHBondContact CB-OG 3.26Å; D130-S150 WeakPolarHBondContact O-CB 3.07Å; D130-S150 PolarHBondContact O-N 3.04Å; D130-S150 PolarHBondContact O-OG 3.37Å; I148-S150 PolarHBondContact O-N 2.87Å; S150-Q152 VanDerWaalsContact C-N 3.27Å |
| 151 | S | 88.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 80.4 Ų | 80.4 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -23.1 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | S149 | S149-S151 PolarHBondContact O-N 3.47Å; S149-S151 VanDerWaalsContact O-N 3.08Å; S149-S151 PolarHBondContact OG-N 3.26Å; S149-S151 VanDerWaalsContact OG-N 3.15Å; S149-S151 PolarHBondContact OG-OG 3.22Å |
| 152 | Q | 91.7 | Very high | 83.6 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 43% | 0.425 | 39% | 0.389 | S | S | . | . | trans | -77.8 | 136.6 | 177.1 | -63.2 | 178.3 | -74.6 | 0 | 0 | 109.9 | W119 I148 S149 S150 | W119-Q152 VanDerWaalsContact CZ2-O 3.26Å; W119-Q152 WeakPolarHBondContact CZ2-O 3.49Å; I148-Q152 HydrophobicContact CD1-CB 4.16Å; S149-Q152 WeakPolarHBondContact O-CB 3.27Å; S149-Q152 PolarHBondContact O-N 2.85Å; S150-Q152 VanDerWaalsContact C-N 3.27Å | ||
| 153 | V | 90.9 | Very high | 82.5 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | trans | -122 | 12.8 | 178.1 | -66.1 | 0 | 0 | 0 | 0 | 111.6 | R118 W119 | R118-V153 WeakPolarHBondContact CA-O 2.85Å; W119-V153 PolarHBondContact N-O 2.9Å; W119-V153 WeakPolarHBondContact O-CB 3.38Å | ||
| 154 | E | 91.3 | Very high | 81.4 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 36% | 0.364 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 155.1 | 178.4 | 65.2 | 179.5 | -174.3 | 0 | 0 | 111.4 | H116 M117 R118 | H116-E154 IonicContact CE1-OE2 3.62Å; H116-E154 PolarHBondContact CE1-OE2 3.46Å; H116-E154 VanDerWaalsContact CE1-OE2 3.25Å; H116-E154 IonicContact NE2-OE2 2.86Å; H116-E154 PolarHBondContact NE2-OE2 2.78Å; M117-E154 CarbonylContact O-C 3.59Å; M117-E154 WeakPolarHBondContact O-CA 3.41Å; M117-E154 WeakPolarHBondContact O-CB 3.45Å; R118-E154 HydrophobicContact CG-CB 3.98Å; R118-E154 IonicContact NE-OE2 2.64Å |
| 155 | Y | 88.5 | Confident | 80.4 | Confident | 47 Ų | 47 | 79 Ų | 79 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 129.6 | 179.6 | -175.6 | -109.4 | 0 | 0 | 0 | 110.2 | M117 I134 F146 I148 V157 | M117-Y155 PolarHBondContact N-O 3.45Å; M117-Y155 PolarHBondContact O-N 3.15Å; I134-Y155 HydrophobicContact CD1-CD1 3.93Å; I134-Y155 HydrophobicContact CD1-CD2 4Å; I134-Y155 HydrophobicContact CD1-CG 3.64Å; F146-Y155 WeakPolarHBondContact CD1-OH 3.2Å; F146-Y155 WeakPolarHBondContact CE1-OH 3.34Å; I148-Y155 HydrophobicContact CG2-CD2 4.18Å; I148-Y155 HydrophobicContact CG2-CE2 4.25Å; Y155-V157 HydrophobicContact CD1-CG2 3.76Å; Y155-V157 HydrophobicContact CE1-CG2 4.09Å |
| 156 | H | 85.6 | Confident | 79.4 | Confident | 99 Ų | 99 | 76.8 Ų | 76.8 | 46% | 0.458 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121.2 | 175.9 | -69.6 | -70.1 | 0 | 0 | 0 | 110.1 | H116 | H116-H156 AromaticContact CD2-CE1 3.49Å; H116-H156 PolarHBondContact CD2-CE1 2.66Å; H116-H156 VanDerWaalsContact CD2-CE1 3.49Å; H116-H156 AromaticContact CD2-ND1 3.67Å; H116-H156 AromaticContact NE2-CE1 3.69Å |
| 157 | V | 77.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 103.2 | -173.2 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | Y114 S115 Y155 F170 | Y114-V157 VanDerWaalsContact CA-O 3.25Å; Y114-V157 WeakPolarHBondContact CA-O 3.22Å; Y114-V157 WeakPolarHBondContact CB-O 3.13Å; S115-V157 PolarHBondContact N-O 2.85Å; S115-V157 WeakPolarHBondContact O-CB 3.42Å; S115-V157 WeakPolarHBondContact O-CG2 3.41Å; S115-V157 PolarHBondContact O-N 2.84Å; Y155-V157 HydrophobicContact CD1-CG2 3.76Å; Y155-V157 HydrophobicContact CE1-CG2 4.09Å; V157-F170 HydrophobicContact CG1-CE1 4.45Å; V157-F170 HydrophobicContact CG2-CE1 4.06Å; V157-F170 HydrophobicContact CG2-CZ 4.49Å |
| 158 | N | 73.8 | Confident | 77.8 | Confident | 109 Ų | 109 | 75.3 Ų | 75.3 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 156.4 | 173.4 | -65.7 | -15.7 | 0 | 0 | 0 | 111 | R136 | R136-N158 PolarHBondContact NH1-O 3.47Å |
| 159 | N | 63.8 | Low | 77.2 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 75% | 0.749 | 41% | 0.409 | S | S | * | . | trans | 61 | 52.4 | 172.2 | -61.4 | -21.8 | 0 | 0 | 0 | 114.5 | K161 | N159-K161 PolarHBondContact O-N 2.94Š| ||
| 160 | F | 65.1 | Low | 76.8 | Confident | 35 Ų | 35 | 75.7 Ų | 75.7 | 15% | 0.154 | 40% | 0.401 | C | S | . | . | trans | -76.8 | 113.8 | 167.5 | -175.6 | -114.5 | 0 | 0 | 0 | 110.4 | A162 E168 | F160-A162 HydrophobicContact CD1-CB 4.13Å; F160-A162 HydrophobicContact CE1-CB 3.29Å; F160-A162 HydrophobicContact CE2-CB 4.37Å; F160-A162 HydrophobicContact CZ-CB 3.46Å; F160-A162 VanDerWaalsContact CZ-CB 3.46Å; F160-E168 VanDerWaalsContact CD2-OE2 3.25Å; F160-E168 WeakPolarHBondContact CD2-OE2 3.39Å; F160-E168 HydrophobicContact CE2-CB 4.05Å; F160-E168 VanDerWaalsContact CE2-CD 3.45Å; F160-E168 HydrophobicContact CE2-CG 4.27Å; F160-E168 WeakPolarHBondContact CE2-OE2 3.26Å | ||
| 161 | K | 62 | Low | 76.6 | Confident | 160 Ų | 160 | 78.3 Ų | 78.3 | 70% | 0.696 | 41% | 0.414 | S | S | * | . | trans | -110.4 | 83.6 | 167.7 | -72.6 | -172.3 | 178.1 | -177.6 | 0 | 108.6 | Y138 N159 E163 | Y138-K161 PolarHBondContact OH-O 3Å; N159-K161 PolarHBondContact O-N 2.94Å; K161-E163 PolarHBondContact O-N 2.76Å | ||
| 162 | A | 59.7 | Low | 76.7 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | trans | -63 | 101.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | F160 K195 | F160-A162 HydrophobicContact CD1-CB 4.13Å; F160-A162 HydrophobicContact CE1-CB 3.29Å; F160-A162 HydrophobicContact CE2-CB 4.37Å; F160-A162 HydrophobicContact CZ-CB 3.46Å; F160-A162 VanDerWaalsContact CZ-CB 3.46Å; A162-K195 VanDerWaalsContact CB-CE 3.45Å; A162-K195 PolarHBondContact O-NZ 2.9Å | ||
| 163 | E | 63.2 | Low | 76.6 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 57% | 0.565 | 38% | 0.375 | S | S | * | . | trans | -78.7 | 144.6 | 160.7 | -71.9 | -179.4 | -176.8 | 0 | 0 | 108.7 | K161 G165 M166 | K161-E163 PolarHBondContact O-N 2.76Å; E163-G165 PolarHBondContact O-N 2.96Å; E163-M166 HydrophobicContact CB-CB 4.43Å; E163-M166 HydrophobicContact CB-CG 3.84Å; E163-M166 PolarHBondContact O-N 3.37Å | ||
| 164 | E | 65.4 | Low | 76.5 | Confident | 199 Ų | 199 | 70 Ų | 70 | 93% | 0.93 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 131.3 | -179.2 | -166 | 169.6 | -171.2 | 0 | 0 | 110.2 | M166 | E164-M166 VanDerWaalsContact C-N 3.33Š|
| 165 | G | 68.9 | Low | 76.5 | Confident | 86 Ų | 86 | 68.5 Ų | 68.5 | 89% | 0.887 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | -3.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E163 | E163-G165 PolarHBondContact O-N 2.96Š|
| 166 | M | 70.7 | Confident | 76.6 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 126.3 | 175.6 | -66.5 | -68.6 | -150.8 | 0 | 0 | 111.5 | Y138 E163 E164 | Y138-M166 HydrophobicContact CD1-CB 3.59Å; Y138-M166 HydrophobicContact CD1-CG 4.33Å; Y138-M166 HydrophobicContact CE1-CB 4Å; Y138-M166 HydrophobicContact CG-CB 4.26Å; E163-M166 HydrophobicContact CB-CB 4.43Å; E163-M166 HydrophobicContact CB-CG 3.84Å; E163-M166 PolarHBondContact O-N 3.37Å; E164-M166 VanDerWaalsContact C-N 3.33Å |
| 167 | E | 74.1 | Confident | 76.6 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -95 | 118.4 | 174.3 | -175.2 | 172.1 | -157.9 | 0 | 0 | 109.7 | Y138 S139 V190 | Y138-E167 CarbonylContact C-O 3.58Å; Y138-E167 WeakPolarHBondContact CA-O 3.39Å; S139-E167 PolarHBondContact N-O 2.85Å; E167-V190 VanDerWaalsContact OE1-CG1 3.32Å; E167-V190 WeakPolarHBondContact OE1-CG1 3.38Å |
| 168 | E | 75.9 | Confident | 76.8 | Confident | 40 Ų | 40 | 74 Ų | 74 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 129.7 | 172.7 | -167.5 | 176.8 | -148.2 | 0 | 0 | 109.4 | R136 G137 F160 F170 | R136-E168 IonicContact CZ-OE1 3.94Å; R136-E168 VanDerWaalsContact CZ-OE1 3.28Å; R136-E168 IonicContact NE-OE1 3.25Å; R136-E168 PolarHBondContact NE-OE1 2.92Å; R136-E168 IonicContact NH2-OE1 3.26Å; R136-E168 PolarHBondContact NH2-OE1 3.33Å; G137-E168 CarbonylContact O-C 3.59Å; G137-E168 WeakPolarHBondContact O-CA 3.15Å; F160-E168 VanDerWaalsContact CD2-OE2 3.25Å; F160-E168 WeakPolarHBondContact CD2-OE2 3.39Å; F160-E168 HydrophobicContact CE2-CB 4.05Å; F160-E168 VanDerWaalsContact CE2-CD 3.45Å; F160-E168 HydrophobicContact CE2-CG 4.27Å; F160-E168 WeakPolarHBondContact CE2-OE2 3.26Å; E168-F170 HydrophobicContact CB-CE2 4.25Å; E168-F170 HydrophobicContact CG-CD2 4.21Å; E168-F170 HydrophobicContact CG-CE2 3.51Å; E168-F170 HydrophobicContact CG-CZ 3.8Å; E168-F170 VanDerWaalsContact OE1-CZ 3.32Å; E168-F170 WeakPolarHBondContact OE1-CZ 3.25Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.32Å; E168-F170 WeakPolarHBondContact OE2-CZ 3.48Å |
| 169 | V | 81.5 | Confident | 77.1 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.3 | -180 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | R136 G137 L143 I171 | R136-V169 WeakPolarHBondContact CA-O 3.37Å; G137-V169 PolarHBondContact N-O 3.24Å; G137-V169 PolarHBondContact O-N 2.94Å; L143-V169 HydrophobicContact CD2-CB 4.42Å; V169-I171 HydrophobicContact CG1-CD1 4.18Å; V169-I171 HydrophobicContact CG1-CG1 3.8Å |
| 170 | F | 84.3 | Confident | 78.1 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 15% | 0.154 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.5 | 169.5 | -61.3 | -94.3 | 0 | 0 | 0 | 109.4 | I107 M117 F135 R136 V157 E168 L172 | I107-F170 HydrophobicContact CD1-CD2 3.58Å; I107-F170 HydrophobicContact CD1-CE2 3.9Å; I107-F170 HydrophobicContact CD1-CG 4.22Å; M117-F170 HydrophobicContact CE-CB 3.77Å; M117-F170 HydrophobicContact CE-CD1 4.35Å; M117-F170 HydrophobicContact CE-CG 4.13Å; M117-F170 HydrophobicContact SD-CB 4.31Å; M117-F170 HydrophobicContact SD-CD1 3.85Å; M117-F170 HydrophobicContact SD-CE1 4.45Å; M117-F170 HydrophobicContact SD-CG 4.23Å; F135-F170 CarbonylContact O-C 3.57Å; F135-F170 WeakPolarHBondContact O-CA 3.17Å; R136-F170 HydrophobicContact CB-CD1 4.19Å; R136-F170 HydrophobicContact CB-CE1 4.35Å; R136-F170 HydrophobicContact CG-CD1 3.95Å; R136-F170 HydrophobicContact CG-CE1 3.65Å; R136-F170 HydrophobicContact CG-CZ 4.32Å; V157-F170 HydrophobicContact CG1-CE1 4.45Å; V157-F170 HydrophobicContact CG2-CE1 4.06Å; V157-F170 HydrophobicContact CG2-CZ 4.49Å; E168-F170 HydrophobicContact CB-CE2 4.25Å; E168-F170 HydrophobicContact CG-CD2 4.21Å; E168-F170 HydrophobicContact CG-CE2 3.51Å; E168-F170 HydrophobicContact CG-CZ 3.8Å; E168-F170 VanDerWaalsContact OE1-CZ 3.32Å; E168-F170 WeakPolarHBondContact OE1-CZ 3.25Å; E168-F170 WeakPolarHBondContact OE2-CE2 3.32Å; E168-F170 WeakPolarHBondContact OE2-CZ 3.48Å; F170-L172 HydrophobicContact CB-CD1 4.05Å |
| 171 | I | 86.3 | Confident | 79 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 31% | 0.308 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 123.9 | 175.9 | -38.6 | -179.4 | 0 | 0 | 0 | 108.9 | I134 F135 L143 V169 F173 | I134-I171 CarbonylContact C-O 3.54Å; I134-I171 WeakPolarHBondContact CA-O 3.35Å; F135-I171 HydrophobicContact CB-CB 4.13Å; F135-I171 HydrophobicContact CB-CG1 4.4Å; F135-I171 PolarHBondContact N-O 3.34Å; F135-I171 PolarHBondContact O-N 2.91Å; L143-I171 HydrophobicContact CD1-CD1 3.78Å; L143-I171 HydrophobicContact CD1-CG1 4.3Å; V169-I171 HydrophobicContact CG1-CD1 4.18Å; V169-I171 HydrophobicContact CG1-CG1 3.8Å; I171-F173 HydrophobicContact CB-CE2 4.08Å; I171-F173 HydrophobicContact CB-CZ 4.38Å; I171-F173 HydrophobicContact CG2-CD2 4.28Å; I171-F173 HydrophobicContact CG2-CE1 4.04Å; I171-F173 HydrophobicContact CG2-CE2 3.29Å; I171-F173 HydrophobicContact CG2-CZ 3.17Å |
| 172 | L | 89.9 | Confident | 79.6 | Confident | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.4 | -172.4 | -70.2 | 82.4 | 0 | 0 | 0 | 110.4 | I102 M117 W119 I133 I134 F170 | I102-L172 HydrophobicContact CD1-CB 3.71Å; M117-L172 HydrophobicContact CE-CD1 3.12Å; M117-L172 HydrophobicContact CE-CD2 3.87Å; M117-L172 HydrophobicContact CE-CG 4.13Å; M117-L172 HydrophobicContact SD-CD1 3.84Å; M117-L172 HydrophobicContact SD-CD2 3.98Å; M117-L172 HydrophobicContact SD-CG 4.44Å; W119-L172 HydrophobicContact CD2-CD2 3.8Å; W119-L172 HydrophobicContact CE3-CD2 3.58Å; W119-L172 HydrophobicContact CG-CD2 4.32Å; W119-L172 HydrophobicContact CZ3-CD2 4Å; I133-L172 WeakPolarHBondContact O-CA 3.28Å; I134-L172 HydrophobicContact CG1-CD2 4.39Å; I134-L172 HydrophobicContact CG1-CG 4.26Å; I134-L172 HydrophobicContact CG2-CG 4.5Å; F170-L172 HydrophobicContact CB-CD1 4.05Å |
| 173 | F | 89.3 | Confident | 80.1 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 18% | 0.175 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 139.7 | 175.8 | -50.1 | -79.6 | 0 | 0 | 0 | 109.7 | T132 I133 F135 I171 F180 S181 L182 | T132-F173 CarbonylContact C-O 3.54Å; T132-F173 WeakPolarHBondContact CA-O 3.3Å; I133-F173 PolarHBondContact N-O 2.89Å; I133-F173 PolarHBondContact O-N 3.44Å; F135-F173 HydrophobicContact CD2-CD2 4.23Å; F135-F173 AromaticContact CD2-CE2 3.96Å; F135-F173 HydrophobicContact CD2-CE2 3.96Å; F135-F173 HydrophobicContact CE2-CD2 4.27Å; F135-F173 HydrophobicContact CE2-CE2 4.15Å; I171-F173 HydrophobicContact CB-CE2 4.08Å; I171-F173 HydrophobicContact CB-CZ 4.38Å; I171-F173 HydrophobicContact CG2-CD2 4.28Å; I171-F173 HydrophobicContact CG2-CE1 4.04Å; I171-F173 HydrophobicContact CG2-CE2 3.29Å; I171-F173 HydrophobicContact CG2-CZ 3.17Å; F173-F180 HydrophobicContact CD1-CD2 4.18Å; F173-S181 WeakPolarHBondContact CD1-O 3.35Å; F173-L182 HydrophobicContact CD1-CD2 4.44Å; F173-L182 HydrophobicContact CE1-CD2 3.9Å |
| 174 | N | 90.5 | Very high | 80.3 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 146.2 | 161.3 | -67.8 | -34.8 | 0 | 0 | 0 | 109.2 | V99 P100 I102 S131 T132 F180 S181 | V99-N174 HydrophobicContact CG1-CB 3.64Å; P100-N174 PolarHBondContact O-ND2 3.12Å; I102-N174 WeakPolarHBondContact CG1-ND2 3.31Å; S131-N174 CarbonylContact O-C 3.56Å; S131-N174 WeakPolarHBondContact O-CA 3.39Å; T132-N174 PolarHBondContact OG1-OD1 3.31Å; N174-F180 CarbonylContact O-C 3.55Å; N174-F180 WeakPolarHBondContact O-CA 3.21Å; N174-F180 WeakPolarHBondContact O-CB 3.46Å; N174-S181 WeakPolarHBondContact CB-OG 3.14Å; N174-S181 PolarHBondContact N-OG 3.16Å; N174-S181 VanDerWaalsContact N-OG 3.15Å; N174-S181 PolarHBondContact O-N 2.95Å |
| 175 | I | 91 | Very high | 79.8 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.4 | 176.8 | -61.6 | -163.1 | 0 | 0 | 0 | 109.5 | D130 S131 I133 R179 F180 | D130-I175 WeakPolarHBondContact CA-O 3.35Å; D130-I175 WeakPolarHBondContact CB-O 3.3Å; S131-I175 PolarHBondContact N-O 2.82Å; S131-I175 PolarHBondContact O-N 2.82Å; I133-I175 HydrophobicContact CB-CD1 4.35Å; I133-I175 HydrophobicContact CD1-CD1 3.18Å; I133-I175 HydrophobicContact CD1-CG1 4.29Å; I133-I175 HydrophobicContact CG1-CD1 3.45Å; I133-I175 VanDerWaalsContact CG1-CD1 3.45Å; I133-I175 HydrophobicContact CG1-CG1 4.04Å; I175-R179 VanDerWaalsContact CA-O 3.32Å; I175-R179 WeakPolarHBondContact CA-O 3.42Å; I175-R179 WeakPolarHBondContact CG2-O 3.36Å; I175-F180 HydrophobicContact CG1-CB 4.02Å |
| 176 | H | 89.2 | Confident | 79.1 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 116 | 172.6 | 172.8 | 64 | 0 | 0 | 0 | 106.9 | K97 V99 E127 D130 N178 R179 | K97-H176 PolarHBondContact NZ-NE2 2.83Å; V99-H176 HydrophobicContact CG1-CB 4.21Å; V99-H176 HydrophobicContact CG2-CB 3.83Å; E127-H176 IonicContact OE1-CE1 2.78Å; E127-H176 PolarHBondContact OE1-CE1 2.91Å; E127-H176 IonicContact OE2-CE1 3.28Å; D130-H176 IonicContact OD1-CE1 2.87Å; D130-H176 IonicContact OD1-CG 2.71Å; D130-H176 IonicContact OD1-ND1 3.48Å; D130-H176 PolarHBondContact OD1-ND1 3.36Å; D130-H176 IonicContact OD2-ND1 3.84Å; H176-N178 PolarHBondContact O-N 2.79Å; H176-N178 VanDerWaalsContact O-N 3.15Å; H176-R179 PolarHBondContact N-O 2.79Å; H176-R179 WeakPolarHBondContact O-CB 3.25Å; H176-R179 PolarHBondContact O-N 3.12Å |
| 177 | E | 85.9 | Confident | 77.6 | Confident | 138 Ų | 138 | 61 Ų | 61 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -115.6 | -175.4 | -55.5 | 177.6 | 159.6 | 0 | 0 | 112.4 | ||
| 178 | N | 81.5 | Confident | 75.7 | Confident | 121 Ų | 121 | 65 Ų | 65 | 65% | 0.647 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 15.3 | 179.3 | 66.7 | -9.3 | 0 | 0 | 0 | 113.6 | H176 | H176-N178 PolarHBondContact O-N 2.79Å; H176-N178 VanDerWaalsContact O-N 3.15Å |
| 179 | R | 81.5 | Confident | 73.5 | Confident | 64 Ų | 64 | 68.7 Ų | 68.7 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 151.5 | -174.3 | -50.3 | -177.9 | -172.1 | -164 | -3 | 110.7 | K97 V99 I175 H176 | K97-R179 WeakPolarHBondContact O-CD 3.38Å; K97-R179 PolarHBondContact O-NH1 3.42Å; V99-R179 HydrophobicContact CG2-CB 3.65Å; I175-R179 VanDerWaalsContact CA-O 3.32Å; I175-R179 WeakPolarHBondContact CA-O 3.42Å; I175-R179 WeakPolarHBondContact CG2-O 3.36Å; H176-R179 PolarHBondContact N-O 2.79Å; H176-R179 WeakPolarHBondContact O-CB 3.25Å; H176-R179 PolarHBondContact O-N 3.12Å |
| 180 | F | 84.6 | Confident | 71.3 | Confident | 55 Ų | 55 | 71.9 Ų | 71.9 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 153.3 | 171.9 | 68.6 | -96.2 | 0 | 0 | 0 | 111.3 | H2 F173 N174 I175 L182 | H2-F180 AromaticContact CD2-CE1 3.33Å; H2-F180 WeakPolarHBondContact CD2-CE1 3.46Å; H2-F180 AromaticContact CE1-CD1 3.86Å; H2-F180 AromaticContact CE1-CE1 3.7Å; H2-F180 AromaticContact CG-CE1 3.86Å; H2-F180 AromaticContact NE2-CD1 3.53Å; H2-F180 AromaticContact NE2-CE1 3.2Å; H2-F180 WeakPolarHBondContact NE2-CE1 2.83Å; F173-F180 HydrophobicContact CD1-CD2 4.18Å; N174-F180 CarbonylContact O-C 3.55Å; N174-F180 WeakPolarHBondContact O-CA 3.21Å; N174-F180 WeakPolarHBondContact O-CB 3.46Å; I175-F180 HydrophobicContact CG1-CB 4.02Å; F180-L182 HydrophobicContact CE2-CD2 3.77Å; F180-L182 HydrophobicContact CE2-CG 3.94Å |
| 181 | S | 83.1 | Confident | 69 | Low | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 136.2 | 171.3 | 68.7 | 0 | 0 | 0 | 0 | 110 | V99 P100 F173 N174 | V99-S181 WeakPolarHBondContact O-CB 3.26Å; P100-S181 VanDerWaalsContact O-CB 3.25Å; P100-S181 WeakPolarHBondContact O-CB 3.48Å; P100-S181 PolarHBondContact O-OG 2.98Å; F173-S181 WeakPolarHBondContact CD1-O 3.35Å; N174-S181 WeakPolarHBondContact CB-OG 3.14Å; N174-S181 PolarHBondContact N-OG 3.16Å; N174-S181 VanDerWaalsContact N-OG 3.15Å; N174-S181 PolarHBondContact O-N 2.95Å |
| 182 | L | 74.5 | Confident | 66.5 | Low | 48 Ų | 48 | 81.6 Ų | 81.6 | 25% | 0.251 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 136.5 | 161.9 | -73.3 | 169 | 0 | 0 | 0 | 110.1 | Q18 E19 R101 F173 F180 | Q18-L182 HydrophobicContact CG-CD1 3.99Å; E19-L182 HydrophobicContact CB-CD1 4.44Å; E19-L182 WeakPolarHBondContact O-CD1 3.29Å; R101-L182 WeakPolarHBondContact CG-O 3.19Å; F173-L182 HydrophobicContact CD1-CD2 4.44Å; F173-L182 HydrophobicContact CE1-CD2 3.9Å; F180-L182 HydrophobicContact CE2-CD2 3.77Å; F180-L182 HydrophobicContact CE2-CG 3.94Å |
| 183 | P | 71.9 | Confident | 63.9 | Low | 42 Ų | 42 | 85.5 Ų | 85.5 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -63 | 150.9 | 175.2 | 28.3 | -34.4 | 0 | 0 | 0 | 109.6 | M185 | P183-M185 PolarHBondContact O-N 3.13Š|
| 184 | T | 66.3 | Low | 61.2 | Low | 38 Ų | 38 | 90.2 Ų | 90.2 | 23% | 0.233 | 47% | 0.467 | C | S | . | . | trans | -72.4 | 115.3 | 172 | -26 | 0 | 0 | 0 | 0 | 106.8 | T21 I102 D186 | T21-T184 HydrophobicContact CG2-CG2 3.89Å; I102-T184 PolarHBondContact O-N 3.13Å; I102-T184 PolarHBondContact O-OG1 3.08Å; T184-D186 PolarHBondContact O-N 3.39Å | ||
| 185 | M | 55.9 | Low | 58.7 | Low | 169 Ų | 169 | 96.6 Ų | 96.6 | 83% | 0.833 | 49% | 0.494 | S | S | * | . | trans | -71 | 103.8 | 172.3 | -69.4 | -160.5 | -73.8 | 0 | 0 | 107.7 | P183 | P183-M185 PolarHBondContact O-N 3.13Š| ||
| 186 | D | 52.7 | Low | 56 | Low | 71 Ų | 71 | 103.5 Ų | 103.5 | 38% | 0.38 | 53% | 0.525 | S | S | . | . | trans | -66.4 | 139.9 | 163.2 | -74.8 | -31.6 | 0 | 0 | 0 | 108 | N104 T184 K188 | N104-D186 PolarHBondContact OD1-OD2 3.38Å; T184-D186 PolarHBondContact O-N 3.39Å; D186-K188 HydrophobicContact CB-CB 4.48Å; D186-K188 HydrophobicContact CB-CG 4.47Å; D186-K188 PolarHBondContact O-N 2.91Å | ||
| 187 | N | 40.6 | Very low | 53.3 | Low | 173 Ų | 173 | 111.1 Ų | 111.1 | 93% | 0.925 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -64.4 | 17.3 | 173.7 | -82.2 | -14.4 | 0 | 0 | 0 | 113.5 | ||
| 188 | K | 34.4 | Very low | 50.6 | Low | 168 Ų | 168 | 109.4 Ų | 109.4 | 73% | 0.73 | 57% | 0.565 | S | S | * | * | trans | -82.7 | 128.8 | -180 | -72.1 | -174.4 | 179.6 | 176.5 | 0 | 109.4 | D186 V190 | D186-K188 HydrophobicContact CB-CB 4.48Å; D186-K188 HydrophobicContact CB-CG 4.47Å; D186-K188 PolarHBondContact O-N 2.91Å; K188-V190 PolarHBondContact O-N 2.87Å | ||
| 189 | P | 28.2 | Very low | 48.1 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 76% | 0.76 | 57% | 0.568 | S | S | * | * | trans | -59.7 | 140.9 | 177 | 24.5 | -31.6 | 0 | 0 | 0 | 109.8 | L191 | P189-L191 PolarHBondContact O-N 3.2Š| ||
| 190 | V | 36.8 | Very low | 45.9 | Very low | 107 Ų | 107 | 113 Ų | 113 | 65% | 0.648 | 59% | 0.593 | S | S | * | * | trans | -41.5 | 121.5 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | E167 K188 K192 | E167-V190 VanDerWaalsContact OE1-CG1 3.32Å; E167-V190 WeakPolarHBondContact OE1-CG1 3.38Å; K188-V190 PolarHBondContact O-N 2.87Å; V190-K192 PolarHBondContact O-N 2.77Å | ||
| 191 | L | 34.4 | Very low | 43.5 | Very low | 137 Ų | 137 | 118.5 Ų | 118.5 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | trans | -66 | 96.4 | 175.2 | -86.8 | 157.8 | 0 | 0 | 0 | 108.6 | P189 V193 | P189-L191 PolarHBondContact O-N 3.2Å; L191-V193 PolarHBondContact O-N 3.07Å | ||
| 192 | K | 34.3 | Very low | 41.1 | Very low | 162 Ų | 162 | 125 Ų | 125 | 70% | 0.704 | 66% | 0.659 | S | S | * | * | trans | -72.5 | 106.5 | 164.4 | -72.6 | -172.4 | 176.8 | -174.8 | 0 | 108.3 | V190 N194 | V190-K192 PolarHBondContact O-N 2.77Å; K192-N194 PolarHBondContact O-N 3.15Å; K192-N194 VanDerWaalsContact O-N 3.09Å | ||
| 193 | V | 35.8 | Very low | 39.2 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | trans | -74.9 | 94.4 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | L109 L191 | L109-V193 HydrophobicContact CD1-CG1 3.66Å; L109-V193 HydrophobicContact CD1-CG2 4.23Å; L191-V193 PolarHBondContact O-N 3.07Å | ||
| 194 | N | 32 | Very low | 37.5 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | trans | -83.9 | 123 | 166.8 | -71.7 | -15.2 | 0 | 0 | 0 | 108.5 | K192 E196 | K192-N194 PolarHBondContact O-N 3.15Å; K192-N194 VanDerWaalsContact O-N 3.09Å; N194-E196 PolarHBondContact O-N 2.91Å; N194-E196 VanDerWaalsContact O-N 3.16Å | ||
| 195 | K | 38.3 | Very low | 36.2 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 62% | 0.617 | 77% | 0.765 | S | S | * | * | trans | -68.3 | 107.5 | 170.5 | -77.5 | -179 | -179 | 169.6 | 0 | 109 | A162 Q197 | A162-K195 VanDerWaalsContact CB-CE 3.45Å; A162-K195 PolarHBondContact O-NZ 2.9Å; K195-Q197 PolarHBondContact O-N 3.32Å | ||
| 196 | E | 33.4 | Very low | 35.2 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -73.8 | 104.6 | 151.5 | -78.6 | -176.1 | 166.2 | 0 | 0 | 107.3 | N194 S198 | N194-E196 PolarHBondContact O-N 2.91Å; N194-E196 VanDerWaalsContact O-N 3.16Å; E196-S198 PolarHBondContact O-N 3.43Å; E196-S198 VanDerWaalsContact O-N 3.11Å | ||
| 197 | Q | 33 | Very low | 34.3 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -62.6 | 109.6 | 162.9 | -78.8 | 179.7 | -13.2 | 0 | 0 | 107.3 | K195 T199 | K195-Q197 PolarHBondContact O-N 3.32Å; Q197-T199 PolarHBondContact O-N 3.22Å | ||
| 198 | S | 29.5 | Very low | 34 | Very low | 103 Ų | 103 | 152.8 Ų | 152.8 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 88.4 | 160.9 | 67.2 | 0 | 0 | 0 | 0 | 107.9 | E196 N200 | E196-S198 PolarHBondContact O-N 3.43Å; E196-S198 VanDerWaalsContact O-N 3.11Å; S198-N200 PolarHBondContact O-N 2.86Å | ||
| 199 | T | 29.9 | Very low | 34 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 82.5 | 156.6 | 32.4 | 0 | 0 | 0 | 0 | 107.7 | Q197 Q201 | Q197-T199 PolarHBondContact O-N 3.22Å; T199-Q201 PolarHBondContact O-N 3.31Å; T199-Q201 VanDerWaalsContact O-N 3.12Å | ||
| 200 | N | 34.1 | Very low | 34.3 | Very low | 141 Ų | 141 | 154.1 Ų | 154.1 | 75% | 0.754 | 78% | 0.778 | S | S | * | * | trans | -70.6 | 103.2 | 157.1 | -85.6 | -17 | 0 | 0 | 0 | 106.5 | S198 T202 | S198-N200 PolarHBondContact O-N 2.86Å; N200-T202 PolarHBondContact O-N 3.05Å | ||
| 201 | Q | 34.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 157.2 Ų | 157.2 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -49.1 | 106.9 | 166.2 | -74.5 | 172.3 | -34 | 0 | 0 | 109.5 | T199 N203 | T199-Q201 PolarHBondContact O-N 3.31Å; T199-Q201 VanDerWaalsContact O-N 3.12Å; Q201-N203 VanDerWaalsContact C-N 3.32Å; Q201-N203 PolarHBondContact O-N 3.08Å; Q201-N203 VanDerWaalsContact O-N 3.13Å | ||
| 202 | T | 31.9 | Very low | 34.1 | Very low | 137 Ų | 137 | 158.6 Ų | 158.6 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | trans | -71.2 | 95 | 154.9 | -35.3 | 0 | 0 | 0 | 0 | 106.5 | N200 | N200-T202 PolarHBondContact O-N 3.05Š| ||
| 203 | N | 35.5 | Very low | 34.1 | Very low | 144 Ų | 144 | 158.4 Ų | 158.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -145 | 92.8 | 162.8 | -91.7 | -21.2 | 0 | 0 | 0 | 107.2 | Q201 | Q201-N203 VanDerWaalsContact C-N 3.32Å; Q201-N203 PolarHBondContact O-N 3.08Å; Q201-N203 VanDerWaalsContact O-N 3.13Å | ||
| 204 | R | 36.2 | Very low | 34 | Very low | 246 Ų | 246 | 164.1 Ų | 164.1 | 93% | 0.928 | 82% | 0.819 | S | S | * | * | trans | -159 | 120.5 | 156 | -107.4 | 175.5 | -172 | -173.5 | 1.8 | 108.4 | ||||
| 205 | E | 39.3 | Very low | 34.2 | Very low | 275 Ų | 275 | 166.5 Ų | 166.5 | 100% | 1.285 | 83% | 0.827 | S | S | * | * | trans | 83.1 | 0 | 178.7 | -59.7 | -177.1 | -174.5 | 0 | 0 | 117.3 |
Retrieved 205 of 205 residues in 129.6 ms
(Link to these results)