| 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 | 37.7 | Very low | 53.2 | Low | 220 Ų | 220 | 127.5 Ų | 127.5 | 100% | 1.084 | 68% | 0.677 | S | S | * | * | 0 | 104.7 | 0 | -74.5 | 155 | 173 | 0 | 0 | 107.9 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.39Å; M1-Y3 HydrophobicContact CB-CE2 4.09Å; M1-Y3 PolarHBondContact O-N 3.37Å | |||
| 2 | S | 39.9 | Very low | 54.9 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -75.3 | 100.7 | -170.9 | -174 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 3 | Y | 45.7 | Very low | 57 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | -118.5 | 42.2 | 168.5 | -65 | -75.3 | 0 | 0 | 0 | 110.3 | M1 | M1-Y3 HydrophobicContact CB-CD2 4.39Å; M1-Y3 HydrophobicContact CB-CE2 4.09Å; M1-Y3 PolarHBondContact O-N 3.37Å | ||
| 4 | G | 49.4 | Very low | 59.2 | Low | 65 Ų | 65 | 108.9 Ų | 108.9 | 67% | 0.67 | 60% | 0.603 | S | S | * | * | trans | -141.5 | 17.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 5 | R | 54.3 | Low | 61.1 | Low | 227 Ų | 227 | 102.5 Ų | 102.5 | 86% | 0.857 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 129.7 | 168.5 | -99.6 | -174 | 177 | -121.1 | -0.1 | 108.4 | ||
| 6 | P | 53.3 | Low | 62.8 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 139.6 | 167.5 | 24.5 | -32.1 | 0 | 0 | 0 | 107.6 | ||
| 7 | P | 57 | Low | 64.5 | Low | 74 Ų | 74 | 93.9 Ų | 93.9 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 132.5 | 176.3 | 23.7 | -31 | 0 | 0 | 0 | 107.5 | V10 | P7-V10 HydrophobicContact CB-CG2 3.98Å; P7-V10 HydrophobicContact CG-CG2 4.49Å |
| 8 | P | 60.9 | Low | 65.9 | Low | 51 Ų | 51 | 88.7 Ų | 88.7 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 154.1 | 168.7 | 25 | -32.4 | 0 | 0 | 0 | 108.5 | V10 M13 D42 | P8-V10 HydrophobicContact CG-CG1 4.32Å; P8-V10 WeakPolarHBondContact O-CA 3.46Å; P8-V10 VanDerWaalsContact O-CB 3.25Å; P8-V10 WeakPolarHBondContact O-CB 3.02Å; P8-V10 WeakPolarHBondContact O-CG1 3.36Å; P8-V10 VanDerWaalsContact O-CG2 3.28Å; P8-V10 WeakPolarHBondContact O-CG2 3.32Å; P8-V10 PolarHBondContact O-N 3.22Å; P8-M13 HydrophobicContact CB-CE 4.19Å; P8-D42 HydrophobicContact CG-CB 4.12Å |
| 9 | D | 59.7 | Low | 67.1 | Low | 144 Ų | 144 | 85.7 Ų | 85.7 | 77% | 0.77 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -51.1 | 100.7 | -177.7 | -76.6 | -83.3 | 0 | 0 | 0 | 112.1 | M13 | D9-M13 WeakPolarHBondContact O-CE 3.47Š|
| 10 | V | 62.9 | Low | 68.1 | Low | 30 Ų | 30 | 85.1 Ų | 85.1 | 18% | 0.182 | 47% | 0.468 | C | S | . | . | trans | -107.8 | 2.4 | -161.1 | -91.5 | 0 | 0 | 0 | 0 | 113.5 | P7 P8 G12 M13 R61 | P7-V10 HydrophobicContact CB-CG2 3.98Å; P7-V10 HydrophobicContact CG-CG2 4.49Å; P8-V10 HydrophobicContact CG-CG1 4.32Å; P8-V10 WeakPolarHBondContact O-CA 3.46Å; P8-V10 VanDerWaalsContact O-CB 3.25Å; P8-V10 WeakPolarHBondContact O-CB 3.02Å; P8-V10 WeakPolarHBondContact O-CG1 3.36Å; P8-V10 VanDerWaalsContact O-CG2 3.28Å; P8-V10 WeakPolarHBondContact O-CG2 3.32Å; P8-V10 PolarHBondContact O-N 3.22Å; V10-G12 PolarHBondContact O-N 3.49Å; V10-M13 HydrophobicContact CB-SD 4.42Å; V10-M13 HydrophobicContact CG1-SD 3.61Å; V10-M13 PolarHBondContact O-N 3.49Å; V10-R61 PolarHBondContact O-NH2 3.1Å | ||
| 11 | E | 64.8 | Low | 69 | Low | 196 Ų | 196 | 81.2 Ų | 81.2 | 92% | 0.916 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19.7 | -178.8 | -66.7 | -172.5 | 96.4 | 0 | 0 | 112.7 | ||
| 12 | G | 73.1 | Confident | 71.1 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V10 | V10-G12 PolarHBondContact O-N 3.49Š|
| 13 | M | 82.8 | Confident | 73 | Confident | 31 Ų | 31 | 72.5 Ų | 72.5 | 15% | 0.153 | 39% | 0.388 | C | S | . | . | trans | -89.6 | 137.5 | -170.7 | -68.3 | 177.8 | -174.7 | 0 | 0 | 112.6 | P8 D9 V10 F62 L63 | P8-M13 HydrophobicContact CB-CE 4.19Å; D9-M13 WeakPolarHBondContact O-CE 3.47Å; V10-M13 HydrophobicContact CB-SD 4.42Å; V10-M13 HydrophobicContact CG1-SD 3.61Å; V10-M13 PolarHBondContact O-N 3.49Å; M13-F62 CarbonylContact C-O 3.59Å; M13-F62 WeakPolarHBondContact CA-O 3.49Å; M13-F62 VanDerWaalsContact CB-O 3.29Å; M13-F62 WeakPolarHBondContact CB-O 3.42Å; M13-L63 HydrophobicContact CE-CD2 3.78Å | ||
| 14 | T | 86.8 | Confident | 74.6 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 13% | 0.129 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.4 | 175.1 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | R61 F62 K65 A68 M89 | T14-R61 CarbonylContact O-C 3.59Å; T14-R61 WeakPolarHBondContact O-CA 3.45Å; T14-F62 PolarHBondContact N-O 2.98Å; T14-F62 PolarHBondContact O-N 3.19Å; T14-K65 HydrophobicContact CG2-CG 4.38Å; T14-K65 VanDerWaalsContact OG1-CA 3.28Å; T14-K65 WeakPolarHBondContact OG1-CA 3.34Å; T14-K65 WeakPolarHBondContact OG1-CB 3.22Å; T14-A68 HydrophobicContact CG2-CB 3.44Å; T14-A68 VanDerWaalsContact CG2-CB 3.44Å; T14-M89 HydrophobicContact CG2-CE 3.48Å; T14-M89 VanDerWaalsContact CG2-CE 3.48Å |
| 15 | S | 87.8 | Confident | 76.1 | Confident | 13 Ų | 13 | 71.5 Ų | 71.5 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 129.5 | -177.1 | -55 | 0 | 0 | 0 | 0 | 109.8 | R61 A90 | S15-R61 PolarHBondContact OG-NE 3.45Å; S15-A90 WeakPolarHBondContact O-CA 3.37Å; S15-A90 VanDerWaalsContact O-CB 3.25Å; S15-A90 WeakPolarHBondContact O-CB 3.48Å; S15-A90 PolarHBondContact O-N 2.9Å |
| 16 | L | 89.6 | Confident | 77.6 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.1 | 172.1 | -60.2 | -175.5 | 0 | 0 | 0 | 109.7 | F59 V60 F62 A68 A71 M72 V87 Q88 M89 | L16-F59 CarbonylContact O-C 3.59Å; L16-F59 VanDerWaalsContact O-CA 3.29Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; L16-V60 PolarHBondContact N-O 2.75Å; L16-V60 PolarHBondContact O-N 3.39Å; L16-F62 HydrophobicContact CD1-CD2 3.92Å; L16-F62 HydrophobicContact CD1-CE2 3.58Å; L16-F62 HydrophobicContact CG-CD2 4.16Å; L16-F62 HydrophobicContact CG-CE2 4.26Å; L16-A68 HydrophobicContact CD1-CB 4.17Å; L16-A68 WeakPolarHBondContact CD1-O 3.06Å; L16-A68 HydrophobicContact CD2-CB 4.05Å; L16-A68 HydrophobicContact CG-CB 4.07Å; L16-A71 HydrophobicContact CD1-CB 4.16Å; L16-M72 HydrophobicContact CD1-CB 4.46Å; L16-M72 HydrophobicContact CD2-CB 4.38Å; L16-V87 HydrophobicContact CB-CG1 4.11Å; L16-V87 HydrophobicContact CD1-CG1 3.92Å; L16-V87 HydrophobicContact CG-CG1 4.47Å; L16-Q88 CarbonylContact C-O 3.57Å; L16-Q88 WeakPolarHBondContact CA-O 3.45Å; L16-M89 HydrophobicContact CD2-CG 4.47Å |
| 17 | K | 90.5 | Very high | 79.2 | Confident | 57 Ų | 57 | 59.2 Ų | 59.2 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.7 | 171.5 | -178.6 | 174.7 | 178 | -104.7 | 0 | 107.9 | D19 F59 V87 Q88 A90 | K17-D19 WeakPolarHBondContact CE-OD1 3.36Å; K17-D19 WeakPolarHBondContact CE-OD2 3.32Å; K17-D19 IonicContact NZ-OD1 2.71Å; K17-D19 PolarHBondContact NZ-OD1 3.29Å; K17-D19 IonicContact NZ-OD2 2.65Å; K17-D19 PolarHBondContact NZ-OD2 2.91Å; K17-F59 HydrophobicContact CB-CD1 4.04Å; K17-F59 HydrophobicContact CB-CE1 3.91Å; K17-F59 HydrophobicContact CD-CE1 3.88Å; K17-F59 HydrophobicContact CD-CZ 4.31Å; K17-F59 HydrophobicContact CG-CD1 4.22Å; K17-F59 HydrophobicContact CG-CE1 3.76Å; K17-F59 HydrophobicContact CG-CZ 4.39Å; K17-V87 CarbonylContact O-C 3.58Å; K17-V87 WeakPolarHBondContact O-CA 3.11Å; K17-Q88 PolarHBondContact N-O 3.15Å; K17-Q88 PolarHBondContact O-N 3.1Å; K17-A90 HydrophobicContact CB-CB 4.13Å |
| 18 | V | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 116 | 176.6 | -172.6 | 0 | 0 | 0 | 0 | 107.6 | L21 F34 F57 A58 V60 L85 R86 V87 | V18-L21 HydrophobicContact CB-CD1 4.2Å; V18-L21 HydrophobicContact CG1-CD1 4.01Å; V18-L21 HydrophobicContact CG1-CD2 3.87Å; V18-L21 HydrophobicContact CG1-CG 3.92Å; V18-F34 HydrophobicContact CG1-CZ 4.31Å; V18-F34 HydrophobicContact CG2-CE1 4.27Å; V18-F34 HydrophobicContact CG2-CE2 3.84Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; V18-F57 CarbonylContact O-C 3.57Å; V18-F57 WeakPolarHBondContact O-CA 3.28Å; V18-F57 VanDerWaalsContact O-CB 3.27Å; V18-F57 WeakPolarHBondContact O-CB 3.19Å; V18-A58 HydrophobicContact CB-CB 4.5Å; V18-A58 PolarHBondContact N-O 2.94Å; V18-A58 PolarHBondContact O-N 2.66Å; V18-V60 HydrophobicContact CG2-CG2 4.12Å; V18-L85 HydrophobicContact CG1-CD2 4.49Å; V18-R86 CarbonylContact C-O 3.58Å; V18-R86 WeakPolarHBondContact CA-O 3.24Å; V18-V87 HydrophobicContact CG1-CG2 4.32Å; V18-V87 HydrophobicContact CG2-CG1 4.42Å; V18-V87 HydrophobicContact CG2-CG2 4.33Å |
| 19 | D | 89.4 | Confident | 81.9 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 166.1 | 177.5 | -73.1 | -78.7 | 0 | 0 | 0 | 111.4 | K17 L21 G56 R86 | K17-D19 WeakPolarHBondContact CE-OD1 3.36Å; K17-D19 WeakPolarHBondContact CE-OD2 3.32Å; K17-D19 IonicContact NZ-OD1 2.71Å; K17-D19 PolarHBondContact NZ-OD1 3.29Å; K17-D19 IonicContact NZ-OD2 2.65Å; K17-D19 PolarHBondContact NZ-OD2 2.91Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.11Å; D19-G56 CarbonylContact C-O 3.57Å; D19-R86 HydrophobicContact CB-CB 4.12Å; D19-R86 PolarHBondContact N-O 3.25Å; D19-R86 PolarHBondContact O-N 2.96Å; D19-R86 VanDerWaalsContact O-N 3.1Å |
| 20 | N | 87.2 | Confident | 83.3 | Confident | 73 Ų | 73 | 55.5 Ų | 55.5 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 63.8 | 29.7 | 179.1 | -159.4 | 34.6 | 0 | 0 | 0 | 115 | G56 E84 | N20-G56 PolarHBondContact N-O 2.98Å; N20-E84 WeakPolarHBondContact CB-O 3.42Å; N20-E84 PolarHBondContact ND2-O 2.79Å |
| 21 | L | 85.8 | Confident | 84.5 | Confident | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | trans | -70.7 | 147.1 | 175.2 | -69.7 | 168.4 | 0 | 0 | 0 | 111.9 | V18 D19 T25 L30 G56 A58 L80 L85 | V18-L21 HydrophobicContact CB-CD1 4.2Å; V18-L21 HydrophobicContact CG1-CD1 4.01Å; V18-L21 HydrophobicContact CG1-CD2 3.87Å; V18-L21 HydrophobicContact CG1-CG 3.92Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.11Å; L21-T25 HydrophobicContact CD2-CG2 4.22Å; L21-L30 HydrophobicContact CD1-CD1 3.86Å; L21-L30 HydrophobicContact CD1-CD2 4.32Å; L21-L30 HydrophobicContact CD2-CD2 3.7Å; L21-G56 PolarHBondContact N-O 3.3Å; L21-G56 WeakPolarHBondContact O-CA 3.23Å; L21-A58 HydrophobicContact CD1-CB 3.39Å; L21-L80 HydrophobicContact CD2-CD2 4.45Å; L21-L85 HydrophobicContact CD2-CD2 3.47Å; L21-L85 VanDerWaalsContact CD2-CD2 3.47Å; L21-L85 HydrophobicContact CG-CD2 4.26Å | ||
| 22 | T | 82.7 | Confident | 85.7 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 13% | 0.129 | 29% | 0.289 | C | S | . | . | trans | -71.8 | 151 | 168.7 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | R24 T25 D81 | T22-R24 HydrophobicContact CG2-CB 4.13Å; T22-R24 PolarHBondContact O-N 3.17Å; T22-R24 VanDerWaalsContact O-N 3.13Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.21Å; T22-T25 PolarHBondContact O-N 3Å; T22-T25 VanDerWaalsContact O-N 3.1Å; T22-T25 PolarHBondContact O-OG1 3.04Å; T22-D81 HydrophobicContact CG2-CB 3.38Å; T22-D81 WeakPolarHBondContact CG2-OD2 3.25Å | ||
| 23 | Y | 79.4 | Confident | 86.4 | Confident | 124 Ų | 124 | 57.9 Ų | 57.9 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.2 | 177.9 | -58.6 | -83.8 | 0 | 0 | 0 | 112.8 | E53 S54 | Y23-E53 HydrophobicContact CD1-CB 4.27Å; Y23-E53 HydrophobicContact CE1-CB 4.27Å; Y23-S54 WeakPolarHBondContact CD1-O 3.38Å; Y23-S54 WeakPolarHBondContact CE1-O 3.45Å |
| 24 | R | 79.3 | Confident | 86.7 | Confident | 224 Ų | 224 | 56.4 Ų | 56.4 | 85% | 0.845 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -15.3 | 178 | -64 | -176.2 | 175.5 | 178.5 | -1.8 | 113.7 | T22 S26 | T22-R24 HydrophobicContact CG2-CB 4.13Å; T22-R24 PolarHBondContact O-N 3.17Å; T22-R24 VanDerWaalsContact O-N 3.13Å; R24-S26 PolarHBondContact O-N 3.21Å |
| 25 | T | 81.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -70 | 123.9 | -176.5 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | L21 T22 L30 L80 | L21-T25 HydrophobicContact CD2-CG2 4.22Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.21Å; T22-T25 PolarHBondContact O-N 3Å; T22-T25 VanDerWaalsContact O-N 3.1Å; T22-T25 PolarHBondContact O-OG1 3.04Å; T25-L30 HydrophobicContact CG2-CD1 4.4Å; T25-L30 HydrophobicContact CG2-CD2 3.86Å; T25-L30 HydrophobicContact CG2-CG 3.78Å; T25-L80 HydrophobicContact CG2-CD2 4.11Å | ||
| 26 | S | 85.3 | Confident | 86.8 | Confident | 29 Ų | 29 | 67.7 Ų | 67.7 | 20% | 0.203 | 30% | 0.304 | C | S | . | . | trans | -89.6 | 155 | 174.6 | 74.6 | 0 | 0 | 0 | 0 | 110.8 | R24 E28 T29 L30 | R24-S26 PolarHBondContact O-N 3.21Å; S26-E28 PolarHBondContact O-N 3.36Å; S26-T29 PolarHBondContact O-N 3.11Å; S26-T29 PolarHBondContact OG-N 3.03Å; S26-T29 PolarHBondContact OG-OG1 3.32Å; S26-T29 VanDerWaalsContact OG-OG1 3.04Å; S26-L30 PolarHBondContact O-N 3.26Å | ||
| 27 | P | 86.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -27.6 | 174.1 | 25.8 | -33.5 | 0 | 0 | 0 | 112 | L30 R31 V43 I45 | P27-L30 PolarHBondContact O-N 2.8Å; P27-R31 WeakPolarHBondContact O-CB 3.39Å; P27-R31 PolarHBondContact O-N 3.45Å; P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; P27-I45 HydrophobicContact CB-CD1 3.95Å; P27-I45 HydrophobicContact CB-CG1 4.12Å; P27-I45 HydrophobicContact CG-CD1 4.41Å |
| 28 | E | 87.4 | Confident | 86.6 | Confident | 133 Ų | 133 | 69.1 Ų | 69.1 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.1 | -41.4 | 177.3 | -59.2 | 164.6 | 124.5 | 0 | 0 | 111.5 | S26 R31 R32 | S26-E28 PolarHBondContact O-N 3.36Å; E28-R31 PolarHBondContact O-N 3.25Å; E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å |
| 29 | T | 88 | Confident | 86.5 | Confident | 57 Ų | 57 | 77.7 Ų | 77.7 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 174.6 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | S26 R31 R32 V33 | S26-T29 PolarHBondContact O-N 3.11Å; S26-T29 PolarHBondContact OG-N 3.03Å; S26-T29 PolarHBondContact OG-OG1 3.32Å; S26-T29 VanDerWaalsContact OG-OG1 3.04Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 2.89Å; T29-R32 PolarHBondContact O-N 3.2Å; T29-V33 HydrophobicContact CG2-CG2 4.48Å; T29-V33 VanDerWaalsContact O-CG2 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.41Å |
| 30 | L | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175.7 | -68 | 174.3 | 0 | 0 | 0 | 110.7 | L21 T25 S26 P27 R32 V33 F34 V43 I45 A58 | L21-L30 HydrophobicContact CD1-CD1 3.86Å; L21-L30 HydrophobicContact CD1-CD2 4.32Å; L21-L30 HydrophobicContact CD2-CD2 3.7Å; T25-L30 HydrophobicContact CG2-CD1 4.4Å; T25-L30 HydrophobicContact CG2-CD2 3.86Å; T25-L30 HydrophobicContact CG2-CG 3.78Å; S26-L30 PolarHBondContact O-N 3.26Å; P27-L30 PolarHBondContact O-N 2.8Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.17Å; L30-V33 PolarHBondContact O-N 3.15Å; L30-V33 VanDerWaalsContact O-N 3.11Å; L30-F34 HydrophobicContact CB-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CD2 4.33Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 2.98Å; L30-F34 PolarHBondContact O-N 3.37Å; L30-V43 HydrophobicContact CB-CG1 4.25Å; L30-V43 HydrophobicContact CD1-CG1 4.34Å; L30-I45 HydrophobicContact CD1-CD1 3.81Å; L30-I45 HydrophobicContact CD1-CG1 4.26Å; L30-A58 HydrophobicContact CD1-CB 3.36Å |
| 31 | R | 89.3 | Confident | 86.4 | Confident | 130 Ų | 130 | 75 Ų | 75 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -53 | -50.7 | 177.2 | -175.7 | 178.1 | 167.9 | -173.8 | -2.6 | 111.3 | P27 E28 T29 V33 F34 E35 V40 V43 | P27-R31 WeakPolarHBondContact O-CB 3.39Å; P27-R31 PolarHBondContact O-N 3.45Å; E28-R31 PolarHBondContact O-N 3.25Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 2.89Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3Å; R31-F34 PolarHBondContact O-N 2.86Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 3.48Å; R31-V40 HydrophobicContact CG-CB 4.5Å; R31-V40 HydrophobicContact CG-CG1 4.41Å; R31-V43 HydrophobicContact CB-CG2 4.07Å |
| 32 | R | 88.7 | Confident | 86.4 | Confident | 185 Ų | 185 | 77.2 Ų | 77.2 | 70% | 0.698 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.1 | -34.4 | 179.6 | -71.7 | 179.7 | -174.4 | 173.7 | 2.8 | 114 | E28 T29 L30 | E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å; T29-R32 PolarHBondContact O-N 3.2Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.17Å |
| 33 | V | 88.4 | Confident | 86.7 | Confident | 32 Ų | 32 | 77.5 Ų | 77.5 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.3 | -46.1 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | T29 L30 R31 M75 L80 | T29-V33 HydrophobicContact CG2-CG2 4.48Å; T29-V33 VanDerWaalsContact O-CG2 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.41Å; L30-V33 PolarHBondContact O-N 3.15Å; L30-V33 VanDerWaalsContact O-N 3.11Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3Å; V33-M75 HydrophobicContact CG1-CE 3.37Å; V33-M75 HydrophobicContact CG1-SD 3.76Å; V33-L80 HydrophobicContact CG2-CD1 4.38Å |
| 34 | F | 88.5 | Confident | 86.9 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -76.6 | -25.7 | -177.8 | -79.5 | -80.1 | 0 | 0 | 0 | 113.1 | V18 L30 R31 K36 Y37 G38 V40 V60 F62 A71 M75 V87 | V18-F34 HydrophobicContact CG1-CZ 4.31Å; V18-F34 HydrophobicContact CG2-CE1 4.27Å; V18-F34 HydrophobicContact CG2-CE2 3.84Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; L30-F34 HydrophobicContact CB-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CD2 4.33Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 2.98Å; L30-F34 PolarHBondContact O-N 3.37Å; R31-F34 PolarHBondContact O-N 2.86Å; F34-K36 PolarHBondContact O-N 2.8Å; F34-Y37 PolarHBondContact O-N 2.73Å; F34-G38 PolarHBondContact O-N 3.35Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; F34-V60 HydrophobicContact CB-CG1 4.11Å; F34-V60 HydrophobicContact CD2-CG2 4.07Å; F34-V60 HydrophobicContact CE2-CG2 4.35Å; F34-V60 HydrophobicContact CG-CG1 4.22Å; F34-V60 HydrophobicContact CG-CG2 4.34Å; F34-F62 HydrophobicContact CB-CE2 4.46Å; F34-F62 HydrophobicContact CB-CZ 3.82Å; F34-F62 HydrophobicContact CD1-CE2 4.08Å; F34-F62 AromaticContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CG-CZ 4.31Å; F34-A71 HydrophobicContact CD1-CB 4.14Å; F34-A71 HydrophobicContact CE1-CB 4.49Å; F34-M75 HydrophobicContact CE1-CB 4.07Å; F34-M75 HydrophobicContact CE1-CG 3.99Å; F34-M75 HydrophobicContact CZ-CB 4.18Å; F34-M75 HydrophobicContact CZ-CG 4.26Å; F34-V87 HydrophobicContact CE1-CG1 4.4Å; F34-V87 HydrophobicContact CE1-CG2 4.33Å; F34-V87 HydrophobicContact CZ-CG2 4.05Å |
| 35 | E | 89 | Confident | 87.3 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -16.9 | 175.8 | -176.8 | 166.6 | -147.9 | 0 | 0 | 113.2 | R31 Y37 G38 V40 | R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 3.48Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.38Å; E35-G38 WeakPolarHBondContact CA-O 3.15Å; E35-V40 HydrophobicContact CB-CG2 4.34Å |
| 36 | K | 89 | Confident | 87.3 | Confident | 172 Ų | 172 | 64.8 Ų | 64.8 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -28.4 | 174 | -64.5 | -176.7 | 177.9 | -174.3 | 0 | 113.5 | F34 | F34-K36 PolarHBondContact O-N 2.8Š|
| 37 | Y | 87.8 | Confident | 87.2 | Confident | 74 Ų | 74 | 69 Ų | 69 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -23.5 | -176.6 | -57.7 | -78.3 | 0 | 0 | 0 | 112 | F34 E35 A71 A74 M75 | F34-Y37 PolarHBondContact O-N 2.73Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.38Å; Y37-A71 HydrophobicContact CD2-CB 4.15Å; Y37-A71 HydrophobicContact CG-CB 3.99Å; Y37-A74 HydrophobicContact CD1-CB 4.01Å; Y37-A74 HydrophobicContact CE1-CB 3.32Å; Y37-M75 HydrophobicContact CD2-CG 4.25Å; Y37-M75 HydrophobicContact CE2-CG 3.49Å; Y37-M75 VanDerWaalsContact CE2-CG 3.49Å; Y37-M75 HydrophobicContact CE2-SD 3.6Å; Y37-M75 VanDerWaalsContact CE2-SD 3.6Å; Y37-M75 PolarHBondContact OH-SD 2.83Å; Y37-M75 VanDerWaalsContact OH-SD 3.37Å |
| 38 | G | 87.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 14% | 0.144 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 172.3 | -173.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | F34 E35 V40 D67 | F34-G38 PolarHBondContact O-N 3.35Å; E35-G38 WeakPolarHBondContact CA-O 3.15Å; G38-V40 PolarHBondContact O-N 2.8Å; G38-V40 VanDerWaalsContact O-N 3.17Å; G38-D67 VanDerWaalsContact CA-OD2 3.32Å; G38-D67 WeakPolarHBondContact CA-OD2 3.29Å |
| 39 | R | 88.1 | Confident | 85.8 | Confident | 181 Ų | 181 | 71 Ų | 71 | 68% | 0.683 | 32% | 0.318 | S | S | * | . | trans | -81 | 106 | -169 | -159.5 | 175.3 | 172 | -145.7 | 3 | 111.6 | L63 D67 | R39-L63 HydrophobicContact CB-CD1 3.86Å; R39-L63 HydrophobicContact CG-CD1 3.54Å; R39-L63 PolarHBondContact O-N 3.49Å; R39-L63 VanDerWaalsContact O-N 3.15Å; R39-D67 PolarHBondContact N-OD2 3.39Å | ||
| 40 | V | 89.2 | Confident | 84.9 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 121.3 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 110.5 | R31 F34 E35 G38 V43 V60 R61 F62 | R31-V40 HydrophobicContact CG-CB 4.5Å; R31-V40 HydrophobicContact CG-CG1 4.41Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; E35-V40 HydrophobicContact CB-CG2 4.34Å; G38-V40 PolarHBondContact O-N 2.8Å; G38-V40 VanDerWaalsContact O-N 3.17Å; V40-V43 HydrophobicContact CG1-CG2 3.61Å; V40-V60 HydrophobicContact CG1-CG1 3.76Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; V40-R61 CarbonylContact C-O 3.49Å; V40-F62 HydrophobicContact CG2-CD1 4.36Å; V40-F62 HydrophobicContact CG2-CE1 3.81Å; V40-F62 HydrophobicContact CG2-CZ 4Å |
| 41 | G | 85.8 | Confident | 84.1 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R61 | G41-R61 PolarHBondContact N-O 2.98Å |
| 42 | D | 85.6 | Confident | 83.1 | Confident | 49 Ų | 49 | 83.2 Ų | 83.2 | 26% | 0.262 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 147.3 | -177.1 | -175.3 | -119.2 | 0 | 0 | 0 | 111.9 | P8 R61 | P8-D42 HydrophobicContact CG-CB 4.12Å; D42-R61 HydrophobicContact CB-CB 4.24Å; D42-R61 HydrophobicContact CB-CG 4.26Å; D42-R61 PolarHBondContact N-O 2.89Å; D42-R61 PolarHBondContact O-N 2.79Å |
| 43 | V | 87.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 79.5 Ų | 79.5 | 17% | 0.17 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.8 | 174.6 | -177 | 0 | 0 | 0 | 0 | 109.6 | P27 L30 R31 V40 F59 V60 | P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; L30-V43 HydrophobicContact CB-CG1 4.25Å; L30-V43 HydrophobicContact CD1-CG1 4.34Å; R31-V43 HydrophobicContact CB-CG2 4.07Å; V40-V43 HydrophobicContact CG1-CG2 3.61Å; V43-F59 CarbonylContact C-O 3.57Å; V43-F59 WeakPolarHBondContact CA-O 2.97Å; V43-V60 HydrophobicContact CG1-CG2 4.32Å; V43-V60 HydrophobicContact CG2-CG1 4.29Å; V43-V60 HydrophobicContact CG2-CG2 4.39Å |
| 44 | Y | 85.3 | Confident | 81.4 | Confident | 52 Ų | 52 | 78.4 Ų | 78.4 | 20% | 0.204 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122.6 | -178 | 179.1 | -121 | 0 | 0 | 0 | 111.4 | P46 A58 F59 R94 | Y44-P46 HydrophobicContact CD1-CG 3.96Å; Y44-P46 HydrophobicContact CE1-CB 4.32Å; Y44-P46 HydrophobicContact CE1-CG 3.54Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; Y44-A58 CarbonylContact O-C 3.56Å; Y44-A58 WeakPolarHBondContact O-CA 3.29Å; Y44-F59 HydrophobicContact CD1-CD2 4.06Å; Y44-F59 PolarHBondContact N-O 3.28Å; Y44-F59 PolarHBondContact O-N 3.25Å; Y44-R94 HydrophobicContact CD1-CG 4.44Å; Y44-R94 HydrophobicContact CE1-CG 4.48Å |
| 45 | I | 87.4 | Confident | 80.8 | Confident | 22 Ų | 22 | 85.8 Ų | 85.8 | 11% | 0.113 | 39% | 0.385 | C | S | . | . | trans | -112.6 | 105.6 | 174.5 | -53.7 | -172 | 0 | 0 | 0 | 108.8 | P27 L30 R47 A58 | P27-I45 HydrophobicContact CB-CD1 3.95Å; P27-I45 HydrophobicContact CB-CG1 4.12Å; P27-I45 HydrophobicContact CG-CD1 4.41Å; L30-I45 HydrophobicContact CD1-CD1 3.81Å; L30-I45 HydrophobicContact CD1-CG1 4.26Å; I45-R47 HydrophobicContact CG2-CG 4.39Å; I45-R47 PolarHBondContact O-N 3.19Å; I45-A58 HydrophobicContact CD1-CB 4.35Å; I45-A58 HydrophobicContact CG1-CB 3.76Å | ||
| 46 | P | 81.9 | Confident | 80.5 | Confident | 11 Ų | 11 | 81.6 Ų | 81.6 | 7% | 0.071 | 37% | 0.369 | C | S | . | . | trans | -63.3 | 118.7 | 170.8 | -20.4 | 32.7 | 0 | 0 | 0 | 110.6 | Y44 R55 F57 F59 | Y44-P46 HydrophobicContact CD1-CG 3.96Å; Y44-P46 HydrophobicContact CE1-CB 4.32Å; Y44-P46 HydrophobicContact CE1-CG 3.54Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-R55 PolarHBondContact O-N 3.24Å; P46-F57 HydrophobicContact CB-CE2 4.1Å; P46-F57 HydrophobicContact CB-CZ 4.25Å; P46-F57 HydrophobicContact CG-CD2 4.21Å; P46-F57 HydrophobicContact CG-CE2 3.6Å; P46-F57 HydrophobicContact CG-CZ 4.24Å; P46-F59 HydrophobicContact CG-CD2 4.09Å; P46-F59 HydrophobicContact CG-CE2 3.88Å | ||
| 47 | R | 81.8 | Confident | 80.5 | Confident | 117 Ų | 117 | 74.9 Ų | 74.9 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -107.2 | 142.7 | 172.4 | -61.9 | -177.2 | 176.8 | 179.3 | -1.9 | 109.4 | I45 | I45-R47 HydrophobicContact CG2-CG 4.39Å; I45-R47 PolarHBondContact O-N 3.19Å |
| 48 | D | 78.6 | Confident | 80.6 | Confident | 64 Ų | 64 | 71.3 Ų | 71.3 | 34% | 0.342 | 33% | 0.326 | S | S | . | . | trans | -64.8 | 135.9 | 172.9 | -163.5 | -41.2 | 0 | 0 | 0 | 109.4 | Y50 T51 K52 E53 | D48-Y50 VanDerWaalsContact C-N 3.35Å; D48-Y50 PolarHBondContact OD1-N 2.98Å; D48-T51 WeakPolarHBondContact CB-OG1 3.21Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-K52 VanDerWaalsContact O-N 3.09Å; D48-E53 PolarHBondContact N-O 3.29Å | ||
| 49 | R | 65.9 | Low | 80.7 | Confident | 155 Ų | 155 | 72.9 Ų | 72.9 | 59% | 0.585 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.5 | -179 | -70.3 | -178.7 | 65.7 | 167.2 | 5.2 | 113 | Y100 | R49-Y100 PolarHBondContact NH1-O 3.37Š|
| 50 | Y | 68.9 | Low | 80.8 | Confident | 186 Ų | 186 | 64.3 Ų | 64.3 | 73% | 0.729 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -49.7 | -175.9 | -60.5 | -81.5 | 0 | 0 | 0 | 111.5 | D48 R103 | D48-Y50 VanDerWaalsContact C-N 3.35Å; D48-Y50 PolarHBondContact OD1-N 2.98Å; Y50-R103 PolarHBondContact OH-NH1 3.06Å |
| 51 | T | 72.4 | Confident | 80.7 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -11.9 | 179 | 63.3 | 0 | 0 | 0 | 0 | 113 | D48 E53 | D48-T51 WeakPolarHBondContact CB-OG1 3.21Å; T51-E53 PolarHBondContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-N 3.1Å |
| 52 | K | 67.7 | Low | 80.9 | Confident | 178 Ų | 178 | 63 Ų | 63 | 77% | 0.774 | 28% | 0.279 | S | S | * | . | trans | 56.7 | 8.4 | -170.2 | -67.1 | -174.8 | -179.7 | 177.9 | 0 | 114.2 | D48 | D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-K52 VanDerWaalsContact O-N 3.09Å | ||
| 53 | E | 68 | Low | 81 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | trans | -78.2 | 137.1 | 179.7 | -66.4 | -178.4 | 120.3 | 0 | 0 | 110.1 | Y23 D48 T51 R55 | Y23-E53 HydrophobicContact CD1-CB 4.27Å; Y23-E53 HydrophobicContact CE1-CB 4.27Å; D48-E53 PolarHBondContact N-O 3.29Å; T51-E53 PolarHBondContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-N 3.1Å; E53-R55 PolarHBondContact O-N 2.98Å | ||
| 54 | S | 73.4 | Confident | 81 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -60.9 | 133.6 | 170.5 | -59.5 | 0 | 0 | 0 | 0 | 108.7 | Y23 G56 | Y23-S54 WeakPolarHBondContact CD1-O 3.38Å; Y23-S54 WeakPolarHBondContact CE1-O 3.45Å; S54-G56 PolarHBondContact O-N 3Å |
| 55 | R | 75.3 | Confident | 81.2 | Confident | 155 Ų | 155 | 69 Ų | 69 | 59% | 0.585 | 31% | 0.308 | S | S | * | . | trans | -71.8 | 10.1 | -178.8 | -63 | -173.7 | 67.9 | -173.2 | -1.6 | 114.2 | P46 E53 F57 | P46-R55 PolarHBondContact O-N 3.24Å; E53-R55 PolarHBondContact O-N 2.98Å; R55-F57 HydrophobicContact CB-CD1 3.55Å; R55-F57 HydrophobicContact CB-CE1 3.17Å; R55-F57 HydrophobicContact CB-CZ 3.92Å; R55-F57 HydrophobicContact CG-CE1 4.08Å; R55-F57 HydrophobicContact CG-CZ 4.49Å; R55-F57 VanDerWaalsContact O-CD1 3.24Å; R55-F57 WeakPolarHBondContact O-CD1 3.33Å; R55-F57 PolarHBondContact O-N 2.85Å | ||
| 56 | G | 84.3 | Confident | 81.3 | Confident | 11 Ų | 11 | 78.1 Ų | 78.1 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 70.3 | 17.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D19 N20 L21 S54 | D19-G56 CarbonylContact C-O 3.57Å; N20-G56 PolarHBondContact N-O 2.98Å; L21-G56 PolarHBondContact N-O 3.3Å; L21-G56 WeakPolarHBondContact O-CA 3.23Å; S54-G56 PolarHBondContact O-N 3Å |
| 57 | F | 88.1 | Confident | 81.7 | Confident | 30 Ų | 30 | 79.7 Ų | 79.7 | 13% | 0.132 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155 | 174.8 | 66 | -93.5 | 0 | 0 | 0 | 112.4 | V18 P46 R55 F59 | V18-F57 CarbonylContact O-C 3.57Å; V18-F57 WeakPolarHBondContact O-CA 3.28Å; V18-F57 VanDerWaalsContact O-CB 3.27Å; V18-F57 WeakPolarHBondContact O-CB 3.19Å; P46-F57 HydrophobicContact CB-CE2 4.1Å; P46-F57 HydrophobicContact CB-CZ 4.25Å; P46-F57 HydrophobicContact CG-CD2 4.21Å; P46-F57 HydrophobicContact CG-CE2 3.6Å; P46-F57 HydrophobicContact CG-CZ 4.24Å; R55-F57 HydrophobicContact CB-CD1 3.55Å; R55-F57 HydrophobicContact CB-CE1 3.17Å; R55-F57 HydrophobicContact CB-CZ 3.92Å; R55-F57 HydrophobicContact CG-CE1 4.08Å; R55-F57 HydrophobicContact CG-CZ 4.49Å; R55-F57 VanDerWaalsContact O-CD1 3.24Å; R55-F57 WeakPolarHBondContact O-CD1 3.33Å; R55-F57 PolarHBondContact O-N 2.85Å; F57-F59 AromaticContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CZ 4.17Å; F57-F59 AromaticContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CZ 4.05Å |
| 58 | A | 89.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | V18 L21 L30 Y44 I45 | V18-A58 HydrophobicContact CB-CB 4.5Å; V18-A58 PolarHBondContact N-O 2.94Å; V18-A58 PolarHBondContact O-N 2.66Å; L21-A58 HydrophobicContact CD1-CB 3.39Å; L30-A58 HydrophobicContact CD1-CB 3.36Å; Y44-A58 CarbonylContact O-C 3.56Å; Y44-A58 WeakPolarHBondContact O-CA 3.29Å; I45-A58 HydrophobicContact CD1-CB 4.35Å; I45-A58 HydrophobicContact CG1-CB 3.76Å |
| 59 | F | 89 | Confident | 82.7 | Confident | 47 Ų | 47 | 74.8 Ų | 74.8 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.7 | 170.8 | -62.7 | -81.3 | 0 | 0 | 0 | 108.8 | L16 K17 V43 Y44 P46 F57 A90 | L16-F59 CarbonylContact O-C 3.59Å; L16-F59 VanDerWaalsContact O-CA 3.29Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; K17-F59 HydrophobicContact CB-CD1 4.04Å; K17-F59 HydrophobicContact CB-CE1 3.91Å; K17-F59 HydrophobicContact CD-CE1 3.88Å; K17-F59 HydrophobicContact CD-CZ 4.31Å; K17-F59 HydrophobicContact CG-CD1 4.22Å; K17-F59 HydrophobicContact CG-CE1 3.76Å; K17-F59 HydrophobicContact CG-CZ 4.39Å; V43-F59 CarbonylContact C-O 3.57Å; V43-F59 WeakPolarHBondContact CA-O 2.97Å; Y44-F59 HydrophobicContact CD1-CD2 4.06Å; Y44-F59 PolarHBondContact N-O 3.28Å; Y44-F59 PolarHBondContact O-N 3.25Å; P46-F59 HydrophobicContact CG-CD2 4.09Å; P46-F59 HydrophobicContact CG-CE2 3.88Å; F57-F59 AromaticContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CZ 4.17Å; F57-F59 AromaticContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CZ 4.05Å; F59-A90 HydrophobicContact CD1-CB 4.18Å; F59-A90 HydrophobicContact CE1-CB 4.34Å |
| 60 | V | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.3 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 106.9 | L16 V18 F34 V40 V43 F62 | L16-V60 PolarHBondContact N-O 2.75Å; L16-V60 PolarHBondContact O-N 3.39Å; V18-V60 HydrophobicContact CG2-CG2 4.12Å; F34-V60 HydrophobicContact CB-CG1 4.11Å; F34-V60 HydrophobicContact CD2-CG2 4.07Å; F34-V60 HydrophobicContact CE2-CG2 4.35Å; F34-V60 HydrophobicContact CG-CG1 4.22Å; F34-V60 HydrophobicContact CG-CG2 4.34Å; V40-V60 HydrophobicContact CG1-CG1 3.76Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; V43-V60 HydrophobicContact CG1-CG2 4.32Å; V43-V60 HydrophobicContact CG2-CG1 4.29Å; V43-V60 HydrophobicContact CG2-CG2 4.39Å; V60-F62 HydrophobicContact CB-CE2 4.34Å; V60-F62 HydrophobicContact CG1-CD2 4.06Å; V60-F62 HydrophobicContact CG1-CE2 3.55Å; V60-F62 HydrophobicContact CG1-CZ 4.16Å |
| 61 | R | 88.4 | Confident | 84.9 | Confident | 22 Ų | 22 | 63 Ų | 63 | 8% | 0.083 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.2 | 179 | -50.7 | -172.3 | 86 | 166.5 | -1.9 | 108.7 | V10 T14 S15 V40 G41 D42 | V10-R61 PolarHBondContact O-NH2 3.1Å; T14-R61 CarbonylContact O-C 3.59Å; T14-R61 WeakPolarHBondContact O-CA 3.45Å; S15-R61 PolarHBondContact OG-NE 3.45Å; V40-R61 CarbonylContact C-O 3.49Å; G41-R61 PolarHBondContact N-O 2.98Å; D42-R61 HydrophobicContact CB-CB 4.24Å; D42-R61 HydrophobicContact CB-CG 4.26Å; D42-R61 PolarHBondContact N-O 2.89Å; D42-R61 PolarHBondContact O-N 2.79Å |
| 62 | F | 89.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 149.5 | 175.4 | -76.1 | -92.5 | 0 | 0 | 0 | 110.1 | M13 T14 L16 F34 V40 V60 D67 A68 A71 | M13-F62 CarbonylContact C-O 3.59Å; M13-F62 WeakPolarHBondContact CA-O 3.49Å; M13-F62 VanDerWaalsContact CB-O 3.29Å; M13-F62 WeakPolarHBondContact CB-O 3.42Å; T14-F62 PolarHBondContact N-O 2.98Å; T14-F62 PolarHBondContact O-N 3.19Å; L16-F62 HydrophobicContact CD1-CD2 3.92Å; L16-F62 HydrophobicContact CD1-CE2 3.58Å; L16-F62 HydrophobicContact CG-CD2 4.16Å; L16-F62 HydrophobicContact CG-CE2 4.26Å; F34-F62 HydrophobicContact CB-CE2 4.46Å; F34-F62 HydrophobicContact CB-CZ 3.82Å; F34-F62 HydrophobicContact CD1-CE2 4.08Å; F34-F62 AromaticContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CG-CZ 4.31Å; V40-F62 HydrophobicContact CG2-CD1 4.36Å; V40-F62 HydrophobicContact CG2-CE1 3.81Å; V40-F62 HydrophobicContact CG2-CZ 4Å; V60-F62 HydrophobicContact CB-CE2 4.34Å; V60-F62 HydrophobicContact CG1-CD2 4.06Å; V60-F62 HydrophobicContact CG1-CE2 3.55Å; V60-F62 HydrophobicContact CG1-CZ 4.16Å; F62-D67 HydrophobicContact CD1-CB 4.08Å; F62-A68 HydrophobicContact CB-CB 3.93Å; F62-A68 HydrophobicContact CD2-CB 3.99Å; F62-A68 HydrophobicContact CG-CB 4.06Å; F62-A71 HydrophobicContact CE1-CB 4.47Å; F62-A71 HydrophobicContact CE2-CB 4.23Å; F62-A71 HydrophobicContact CZ-CB 3.8Å |
| 63 | L | 86.9 | Confident | 86.8 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 32% | 0.319 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -68.9 | -44.3 | 171.8 | -75.6 | 156.2 | 0 | 0 | 0 | 110.7 | M13 R39 | M13-L63 HydrophobicContact CE-CD2 3.78Å; R39-L63 HydrophobicContact CB-CD1 3.86Å; R39-L63 HydrophobicContact CG-CD1 3.54Å; R39-L63 PolarHBondContact O-N 3.49Å; R39-L63 VanDerWaalsContact O-N 3.15Å |
| 64 | D | 88.7 | Confident | 87.8 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 47% | 0.471 | 27% | 0.272 | S | S | . | . | trans | -103.2 | 138.7 | -177.1 | -70.2 | -75 | 0 | 0 | 0 | 112.4 | R66 D67 A68 | D64-R66 VanDerWaalsContact C-N 3.35Å; D64-D67 HydrophobicContact CB-CB 4.17Å; D64-A68 PolarHBondContact O-N 2.83Å | ||
| 65 | K | 88.2 | Confident | 88.4 | Confident | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.6 | -36.7 | 175.5 | -177.3 | 176.4 | 174.9 | -73.2 | 0 | 112 | T14 A68 E69 M89 | T14-K65 HydrophobicContact CG2-CG 4.38Å; T14-K65 VanDerWaalsContact OG1-CA 3.28Å; T14-K65 WeakPolarHBondContact OG1-CA 3.34Å; T14-K65 WeakPolarHBondContact OG1-CB 3.22Å; K65-A68 WeakPolarHBondContact O-CB 3.1Å; K65-A68 PolarHBondContact O-N 2.82Å; K65-E69 HydrophobicContact CG-CG 4.48Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact NZ-OE1 2.74Å; K65-E69 IonicContact NZ-OE2 2.85Å; K65-E69 PolarHBondContact NZ-OE2 3.22Å; K65-E69 WeakPolarHBondContact O-CG 3.27Å; K65-E69 PolarHBondContact O-N 2.83Å; K65-M89 HydrophobicContact CD-CE 4.34Å; K65-M89 HydrophobicContact CG-CE 3.97Å |
| 66 | R | 90.4 | Very high | 89.1 | Confident | 214 Ų | 214 | 53.5 Ų | 53.5 | 81% | 0.808 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.3 | -50.8 | -179 | -67.2 | -179.3 | 177.3 | 179.9 | -1 | 110.8 | D64 A68 E69 D70 | D64-R66 VanDerWaalsContact C-N 3.35Å; R66-A68 PolarHBondContact O-N 2.75Å; R66-E69 PolarHBondContact O-N 2.84Å; R66-E69 VanDerWaalsContact O-N 3.11Å; R66-D70 PolarHBondContact O-N 3.21Å |
| 67 | D | 90.8 | Very high | 89.1 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 24% | 0.241 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.8 | -39.4 | 174.9 | -63.1 | 8 | 0 | 0 | 0 | 112.1 | G38 R39 F62 D64 A71 | G38-D67 VanDerWaalsContact CA-OD2 3.32Å; G38-D67 WeakPolarHBondContact CA-OD2 3.29Å; R39-D67 PolarHBondContact N-OD2 3.39Å; F62-D67 HydrophobicContact CD1-CB 4.08Å; D64-D67 HydrophobicContact CB-CB 4.17Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 2.75Å |
| 68 | A | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.1 | -37.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T14 L16 F62 D64 K65 R66 M72 | T14-A68 HydrophobicContact CG2-CB 3.44Å; T14-A68 VanDerWaalsContact CG2-CB 3.44Å; L16-A68 HydrophobicContact CD1-CB 4.17Å; L16-A68 WeakPolarHBondContact CD1-O 3.06Å; L16-A68 HydrophobicContact CD2-CB 4.05Å; L16-A68 HydrophobicContact CG-CB 4.07Å; F62-A68 HydrophobicContact CB-CB 3.93Å; F62-A68 HydrophobicContact CD2-CB 3.99Å; F62-A68 HydrophobicContact CG-CB 4.06Å; D64-A68 PolarHBondContact O-N 2.83Å; K65-A68 WeakPolarHBondContact O-CB 3.1Å; K65-A68 PolarHBondContact O-N 2.82Å; R66-A68 PolarHBondContact O-N 2.75Å; A68-M72 VanDerWaalsContact O-CB 3.29Å; A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.87Å |
| 69 | E | 90.5 | Very high | 88.7 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.6 | -42.2 | 176.5 | -72.2 | 176.6 | 134.7 | 0 | 0 | 111.1 | K65 R66 M72 D73 M89 | K65-E69 HydrophobicContact CG-CG 4.48Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact NZ-OE1 2.74Å; K65-E69 IonicContact NZ-OE2 2.85Å; K65-E69 PolarHBondContact NZ-OE2 3.22Å; K65-E69 WeakPolarHBondContact O-CG 3.27Å; K65-E69 PolarHBondContact O-N 2.83Å; R66-E69 PolarHBondContact O-N 2.84Å; R66-E69 VanDerWaalsContact O-N 3.11Å; E69-M72 WeakPolarHBondContact O-CB 3.46Å; E69-M72 PolarHBondContact O-N 2.79Å; E69-D73 PolarHBondContact O-N 3.17Å; E69-M89 HydrophobicContact CG-CE 4.17Å |
| 70 | D | 90.6 | Very high | 88.3 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 175.5 | -168.7 | -97.5 | 0 | 0 | 0 | 111.6 | R66 M72 D73 A74 | R66-D70 PolarHBondContact O-N 3.21Å; D70-M72 PolarHBondContact O-N 2.82Å; D70-D73 PolarHBondContact O-N 2.77Å; D70-A74 WeakPolarHBondContact O-CB 3.29Å; D70-A74 PolarHBondContact O-N 2.96Å |
| 71 | A | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -33.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L16 F34 Y37 F62 D67 M75 | L16-A71 HydrophobicContact CD1-CB 4.16Å; F34-A71 HydrophobicContact CD1-CB 4.14Å; F34-A71 HydrophobicContact CE1-CB 4.49Å; Y37-A71 HydrophobicContact CD2-CB 4.15Å; Y37-A71 HydrophobicContact CG-CB 3.99Å; F62-A71 HydrophobicContact CE1-CB 4.47Å; F62-A71 HydrophobicContact CE2-CB 4.23Å; F62-A71 HydrophobicContact CZ-CB 3.8Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 2.75Å; A71-M75 WeakPolarHBondContact O-CB 3.25Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.47Å; A71-M75 VanDerWaalsContact O-N 3.1Å |
| 72 | M | 90.5 | Very high | 87.4 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 28% | 0.276 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 176.5 | -179.2 | -177.8 | 70.7 | 0 | 0 | 110.7 | L16 A68 E69 D70 D76 V87 | L16-M72 HydrophobicContact CD1-CB 4.46Å; L16-M72 HydrophobicContact CD2-CB 4.38Å; A68-M72 VanDerWaalsContact O-CB 3.29Å; A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.87Å; E69-M72 WeakPolarHBondContact O-CB 3.46Å; E69-M72 PolarHBondContact O-N 2.79Å; D70-M72 PolarHBondContact O-N 2.82Å; M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.41Å; M72-V87 HydrophobicContact CB-CG1 4.13Å; M72-V87 HydrophobicContact CG-CB 4.3Å; M72-V87 HydrophobicContact CG-CG1 4.13Å; M72-V87 WeakPolarHBondContact CG-O 3.49Å |
| 73 | D | 89.4 | Confident | 87.1 | Confident | 136 Ų | 136 | 71.9 Ų | 71.9 | 73% | 0.727 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.6 | -42.4 | -179.1 | -164.9 | -99.9 | 0 | 0 | 0 | 111.9 | E69 D70 | E69-D73 PolarHBondContact O-N 3.17Å; D70-D73 PolarHBondContact O-N 2.77Å |
| 74 | A | 88.7 | Confident | 87.2 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -73.8 | -30.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y37 D70 | Y37-A74 HydrophobicContact CD1-CB 4.01Å; Y37-A74 HydrophobicContact CE1-CB 3.32Å; D70-A74 WeakPolarHBondContact O-CB 3.29Å; D70-A74 PolarHBondContact O-N 2.96Å |
| 75 | M | 87.3 | Confident | 87.3 | Confident | 13 Ų | 13 | 70.5 Ų | 70.5 | 6% | 0.064 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -101.8 | -14.1 | -176.7 | -66.4 | -65.5 | -54.5 | 0 | 0 | 114.1 | V33 F34 Y37 A71 G77 A78 L85 V87 | V33-M75 HydrophobicContact CG1-CE 3.37Å; V33-M75 HydrophobicContact CG1-SD 3.76Å; F34-M75 HydrophobicContact CE1-CB 4.07Å; F34-M75 HydrophobicContact CE1-CG 3.99Å; F34-M75 HydrophobicContact CZ-CB 4.18Å; F34-M75 HydrophobicContact CZ-CG 4.26Å; Y37-M75 HydrophobicContact CD2-CG 4.25Å; Y37-M75 HydrophobicContact CE2-CG 3.49Å; Y37-M75 VanDerWaalsContact CE2-CG 3.49Å; Y37-M75 HydrophobicContact CE2-SD 3.6Å; Y37-M75 VanDerWaalsContact CE2-SD 3.6Å; Y37-M75 PolarHBondContact OH-SD 2.83Å; Y37-M75 VanDerWaalsContact OH-SD 3.37Å; A71-M75 WeakPolarHBondContact O-CB 3.25Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.47Å; A71-M75 VanDerWaalsContact O-N 3.1Å; M75-G77 PolarHBondContact O-N 2.79Å; M75-A78 HydrophobicContact CE-CB 4Å; M75-A78 WeakPolarHBondContact O-CB 3.28Å; M75-A78 PolarHBondContact O-N 3.22Å; M75-A78 HydrophobicContact SD-CB 4.33Å; M75-L85 HydrophobicContact CE-CD1 3.7Å; M75-V87 HydrophobicContact CB-CG2 3.82Å |
| 76 | D | 89 | Confident | 87.4 | Confident | 80 Ų | 80 | 72.8 Ų | 72.8 | 43% | 0.428 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 123.1 | 171 | -166 | -113.4 | 0 | 0 | 0 | 109.7 | M72 A78 R86 V87 | M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.41Å; D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 2.71Å; D76-R86 VanDerWaalsContact OD2-CA 3.22Å; D76-R86 WeakPolarHBondContact OD2-CA 2.98Å; D76-V87 HydrophobicContact CB-CB 4.45Å; D76-V87 PolarHBondContact OD2-N 3.32Å |
| 77 | G | 84.9 | Confident | 87.4 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 41% | 0.412 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -2.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115 | M75 L85 | M75-G77 PolarHBondContact O-N 2.79Å; G77-L85 WeakPolarHBondContact CA-O 3.42Å; G77-L85 PolarHBondContact N-O 3.09Å |
| 78 | A | 85.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | trans | -68.4 | 135.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M75 D76 L80 E84 L85 | M75-A78 HydrophobicContact CE-CB 4Å; M75-A78 WeakPolarHBondContact O-CB 3.28Å; M75-A78 PolarHBondContact O-N 3.22Å; M75-A78 HydrophobicContact SD-CB 4.33Å; D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 2.71Å; A78-L80 PolarHBondContact O-N 2.65Å; A78-E84 CarbonylContact O-C 3.43Å; A78-E84 WeakPolarHBondContact O-CA 3.47Å; A78-L85 PolarHBondContact O-N 3.18Å | ||
| 79 | L | 84.9 | Confident | 87.2 | Confident | 133 Ų | 133 | 68.8 Ų | 68.8 | 70% | 0.696 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 110.7 | 176.5 | -70.8 | 165.8 | 0 | 0 | 0 | 110.4 | R83 E84 | L79-R83 WeakPolarHBondContact CA-O 2.92Å; L79-E84 HydrophobicContact CD2-CG 3.57Å; L79-E84 HydrophobicContact CG-CG 4.4Å |
| 80 | L | 79.9 | Confident | 86.8 | Confident | 21 Ų | 21 | 66 Ų | 66 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 123.7 | 173.2 | -169.6 | 131.3 | 0 | 0 | 0 | 109.7 | L21 T25 V33 A78 G82 R83 L85 | L21-L80 HydrophobicContact CD2-CD2 4.45Å; T25-L80 HydrophobicContact CG2-CD2 4.11Å; V33-L80 HydrophobicContact CG2-CD1 4.38Å; A78-L80 PolarHBondContact O-N 2.65Å; L80-G82 PolarHBondContact O-N 2.89Å; L80-G82 VanDerWaalsContact O-N 3.15Å; L80-R83 PolarHBondContact N-O 3.47Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-R83 VanDerWaalsContact O-O 3.12Å; L80-L85 HydrophobicContact CB-CD1 3.6Å; L80-L85 HydrophobicContact CB-CD2 3.9Å; L80-L85 HydrophobicContact CB-CG 3.69Å; L80-L85 HydrophobicContact CD1-CD1 3.99Å; L80-L85 HydrophobicContact CD2-CD2 4.4Å; L80-L85 HydrophobicContact CG-CD1 4.24Å |
| 81 | D | 78.1 | Confident | 85.6 | Confident | 104 Ų | 104 | 72.7 Ų | 72.7 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 34.5 | -177.2 | -71.3 | -77.1 | 0 | 0 | 0 | 113.6 | T22 R83 | T22-D81 HydrophobicContact CG2-CB 3.38Å; T22-D81 WeakPolarHBondContact CG2-OD2 3.25Å; D81-R83 VanDerWaalsContact C-N 3.34Å |
| 82 | G | 81.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 82.1 Ų | 82.1 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 13.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L80 | L80-G82 PolarHBondContact O-N 2.89Å; L80-G82 VanDerWaalsContact O-N 3.15Å |
| 83 | R | 84.1 | Confident | 82.6 | Confident | 96 Ų | 96 | 81.8 Ų | 81.8 | 36% | 0.362 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.5 | 173.5 | -66.1 | -176 | 177.6 | -174.7 | -3.3 | 110.7 | L79 L80 D81 L85 | L79-R83 WeakPolarHBondContact CA-O 2.92Å; L80-R83 PolarHBondContact N-O 3.47Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-R83 VanDerWaalsContact O-O 3.12Å; D81-R83 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.01Å |
| 84 | E | 88.8 | Confident | 81.2 | Confident | 121 Ų | 121 | 79.4 Ų | 79.4 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.1 | 172.9 | -63.1 | 175.8 | 132 | 0 | 0 | 109.5 | N20 A78 L79 | N20-E84 WeakPolarHBondContact CB-O 3.42Å; N20-E84 PolarHBondContact ND2-O 2.79Å; A78-E84 CarbonylContact O-C 3.43Å; A78-E84 WeakPolarHBondContact O-CA 3.47Å; L79-E84 HydrophobicContact CD2-CG 3.57Å; L79-E84 HydrophobicContact CG-CG 4.4Å |
| 85 | L | 90.3 | Very high | 79.7 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -71.1 | 146.7 | 173.8 | -61.4 | -174.5 | 0 | 0 | 0 | 110 | V18 L21 M75 G77 A78 L80 R83 | V18-L85 HydrophobicContact CG1-CD2 4.49Å; L21-L85 HydrophobicContact CD2-CD2 3.47Å; L21-L85 VanDerWaalsContact CD2-CD2 3.47Å; L21-L85 HydrophobicContact CG-CD2 4.26Å; M75-L85 HydrophobicContact CE-CD1 3.7Å; G77-L85 WeakPolarHBondContact CA-O 3.42Å; G77-L85 PolarHBondContact N-O 3.09Å; A78-L85 PolarHBondContact O-N 3.18Å; L80-L85 HydrophobicContact CB-CD1 3.6Å; L80-L85 HydrophobicContact CB-CD2 3.9Å; L80-L85 HydrophobicContact CB-CG 3.69Å; L80-L85 HydrophobicContact CD1-CD1 3.99Å; L80-L85 HydrophobicContact CD2-CD2 4.4Å; L80-L85 HydrophobicContact CG-CD1 4.24Å; R83-L85 PolarHBondContact O-N 3.01Å | ||
| 86 | R | 89.6 | Confident | 78.3 | Confident | 153 Ų | 153 | 84.8 Ų | 84.8 | 58% | 0.577 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.4 | 166.4 | -79.5 | -174.1 | 179.6 | -118.1 | -0.1 | 109.2 | V18 D19 D76 | V18-R86 CarbonylContact C-O 3.58Å; V18-R86 WeakPolarHBondContact CA-O 3.24Å; D19-R86 HydrophobicContact CB-CB 4.12Å; D19-R86 PolarHBondContact N-O 3.25Å; D19-R86 PolarHBondContact O-N 2.96Å; D19-R86 VanDerWaalsContact O-N 3.1Å; D76-R86 VanDerWaalsContact OD2-CA 3.22Å; D76-R86 WeakPolarHBondContact OD2-CA 2.98Å |
| 87 | V | 91.2 | Very high | 76.6 | Confident | 4 Ų | 4 | 83.6 Ų | 83.6 | 2% | 0.024 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.1 | 180 | -170.7 | 0 | 0 | 0 | 0 | 108.5 | L16 K17 V18 F34 M72 M75 D76 | L16-V87 HydrophobicContact CB-CG1 4.11Å; L16-V87 HydrophobicContact CD1-CG1 3.92Å; L16-V87 HydrophobicContact CG-CG1 4.47Å; K17-V87 CarbonylContact O-C 3.58Å; K17-V87 WeakPolarHBondContact O-CA 3.11Å; V18-V87 HydrophobicContact CG1-CG2 4.32Å; V18-V87 HydrophobicContact CG2-CG1 4.42Å; V18-V87 HydrophobicContact CG2-CG2 4.33Å; F34-V87 HydrophobicContact CE1-CG1 4.4Å; F34-V87 HydrophobicContact CE1-CG2 4.33Å; F34-V87 HydrophobicContact CZ-CG2 4.05Å; M72-V87 HydrophobicContact CB-CG1 4.13Å; M72-V87 HydrophobicContact CG-CB 4.3Å; M72-V87 HydrophobicContact CG-CG1 4.13Å; M72-V87 WeakPolarHBondContact CG-O 3.49Å; M75-V87 HydrophobicContact CB-CG2 3.82Å; D76-V87 HydrophobicContact CB-CB 4.45Å; D76-V87 PolarHBondContact OD2-N 3.32Å |
| 88 | Q | 89.9 | Confident | 75.2 | Confident | 94 Ų | 94 | 85.8 Ų | 85.8 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.3 | -178.4 | -64.1 | -176.2 | 12.5 | 0 | 0 | 110.4 | L16 K17 A90 | L16-Q88 CarbonylContact C-O 3.57Å; L16-Q88 WeakPolarHBondContact CA-O 3.45Å; K17-Q88 PolarHBondContact N-O 3.15Å; K17-Q88 PolarHBondContact O-N 3.1Å; Q88-A90 PolarHBondContact O-N 2.82Å |
| 89 | M | 87.1 | Confident | 73.6 | Confident | 76 Ų | 76 | 92.3 Ų | 92.3 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 121.4 | 171.8 | -141.4 | 163.4 | -156.9 | 0 | 0 | 110.2 | T14 L16 K65 E69 R91 | T14-M89 HydrophobicContact CG2-CE 3.48Å; T14-M89 VanDerWaalsContact CG2-CE 3.48Å; L16-M89 HydrophobicContact CD2-CG 4.47Å; K65-M89 HydrophobicContact CD-CE 4.34Å; K65-M89 HydrophobicContact CG-CE 3.97Å; E69-M89 HydrophobicContact CG-CE 4.17Å; M89-R91 PolarHBondContact O-N 3.44Å |
| 90 | A | 81.1 | Confident | 72 | Confident | 20 Ų | 20 | 90.9 Ų | 90.9 | 17% | 0.165 | 46% | 0.459 | C | S | . | . | trans | -75 | 110.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S15 K17 F59 Q88 Y92 | S15-A90 WeakPolarHBondContact O-CA 3.37Å; S15-A90 VanDerWaalsContact O-CB 3.25Å; S15-A90 WeakPolarHBondContact O-CB 3.48Å; S15-A90 PolarHBondContact O-N 2.9Å; K17-A90 HydrophobicContact CB-CB 4.13Å; F59-A90 HydrophobicContact CD1-CB 4.18Å; F59-A90 HydrophobicContact CE1-CB 4.34Å; Q88-A90 PolarHBondContact O-N 2.82Å; A90-Y92 PolarHBondContact O-N 2.83Å | ||
| 91 | R | 66.4 | Low | 70.7 | Confident | 234 Ų | 234 | 94.2 Ų | 94.2 | 88% | 0.883 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -72 | -10.2 | 177.2 | -74.1 | -170.1 | 164.6 | -163.6 | -4.2 | 114.7 | M89 | M89-R91 PolarHBondContact O-N 3.44Š|
| 92 | Y | 58.2 | Low | 69.5 | Low | 197 Ų | 197 | 99.6 Ų | 99.6 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -130.6 | 125.1 | -175.8 | -61.3 | -79.1 | 0 | 0 | 0 | 110 | A90 | A90-Y92 PolarHBondContact O-N 2.83Š|
| 93 | G | 59.2 | Low | 68 | Low | 50 Ų | 50 | 105.7 Ų | 105.7 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | trans | -60.5 | 158.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P95 | G93-P95 VanDerWaalsContact O-N 3.12Š| ||
| 94 | R | 60.1 | Low | 66.4 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 32% | 0.321 | 52% | 0.515 | S | S | . | . | trans | -45.9 | 121.8 | 176.1 | -175.5 | 178.9 | -176.6 | -107.7 | -8 | 108.7 | Y44 D97 | Y44-R94 HydrophobicContact CD1-CG 4.44Å; Y44-R94 HydrophobicContact CE1-CG 4.48Å; R94-D97 IonicContact CZ-OD2 3.64Å; R94-D97 IonicContact NH1-OD2 3.62Å; R94-D97 IonicContact NH2-OD2 2.82Å; R94-D97 PolarHBondContact NH2-OD2 2.9Å | ||
| 95 | P | 57.4 | Low | 64.8 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | trans | -56.5 | 135.7 | 175.1 | 22.3 | -31.2 | 0 | 0 | 0 | 107.8 | G93 D97 | G93-P95 VanDerWaalsContact O-N 3.12Å; P95-D97 PolarHBondContact O-N 2.87Å | ||
| 96 | P | 56.4 | Low | 63 | Low | 97 Ų | 97 | 107.5 Ų | 107.5 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | trans | -55.1 | 132.4 | -176.9 | 21.8 | -32.1 | 0 | 0 | 0 | 109 | S98 M99 | P96-S98 PolarHBondContact O-N 3.24Å; P96-M99 PolarHBondContact O-N 3.49Å | ||
| 97 | D | 55 | Low | 60.9 | Low | 56 Ų | 56 | 106 Ų | 106 | 30% | 0.299 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -52 | -16.9 | -176.5 | -162.8 | -92.8 | 0 | 0 | 0 | 113.4 | R94 P95 M99 Y100 S101 | R94-D97 IonicContact CZ-OD2 3.64Å; R94-D97 IonicContact NH1-OD2 3.62Å; R94-D97 IonicContact NH2-OD2 2.82Å; R94-D97 PolarHBondContact NH2-OD2 2.9Å; P95-D97 PolarHBondContact O-N 2.87Å; D97-M99 PolarHBondContact O-N 2.82Å; D97-Y100 PolarHBondContact O-N 3.41Å; D97-S101 PolarHBondContact O-N 3.34Å |
| 98 | S | 54.7 | Low | 59 | Low | 86 Ų | 86 | 117.9 Ų | 117.9 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -43.8 | -24.3 | 173.6 | -47.9 | 0 | 0 | 0 | 0 | 115.8 | P96 | P96-S98 PolarHBondContact O-N 3.24Š|
| 99 | M | 51.4 | Low | 57.1 | Low | 166 Ų | 166 | 124.4 Ų | 124.4 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -90.1 | -19.7 | 177.9 | -154.7 | 162.6 | -175.3 | 0 | 0 | 114 | P96 D97 | P96-M99 PolarHBondContact O-N 3.49Å; D97-M99 PolarHBondContact O-N 2.82Å |
| 100 | Y | 51.5 | Low | 54.7 | Low | 102 Ų | 102 | 132.1 Ų | 132.1 | 40% | 0.4 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.3 | -23.5 | -176.9 | -71.4 | -79.5 | 0 | 0 | 0 | 114.1 | R49 D97 | R49-Y100 PolarHBondContact NH1-O 3.37Å; D97-Y100 PolarHBondContact O-N 3.41Å |
| 101 | S | 53.4 | Low | 52.9 | Low | 92 Ų | 92 | 134.2 Ų | 134.2 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -92.3 | -9.6 | 175.4 | -69.4 | 0 | 0 | 0 | 0 | 114.3 | D97 | D97-S101 PolarHBondContact O-N 3.34Š|
| 102 | R | 51.4 | Low | 51.5 | Low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 6 | -175.2 | -124.2 | -176.2 | -145.3 | -114.9 | 5.2 | 116 | ||
| 103 | R | 51.7 | Low | 50.9 | Low | 200 Ų | 200 | 127.4 Ų | 127.4 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 27.1 | 179 | -134.3 | -176.8 | -157 | -144.5 | 7.5 | 113.3 | Y50 | Y50-R103 PolarHBondContact OH-NH1 3.06Š|
| 104 | G | 49.7 | Very low | 50 | Low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -133.4 | -4.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 105 | A | 56 | Low | 49 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -125.4 | 108.8 | 174 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 106 | P | 51.3 | Low | 48.2 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 73% | 0.725 | S | S | * | * | trans | -60.6 | 140.3 | 170.6 | 25.7 | -31.3 | 0 | 0 | 0 | 108.4 | R108 | P106-R108 PolarHBondContact O-N 2.99Š| ||
| 107 | P | 46.1 | Very low | 47.4 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | trans | -57.4 | 117.3 | 168.7 | 24.2 | -30 | 0 | 0 | 0 | 106.5 | R109 | P107-R109 PolarHBondContact O-N 2.69Š| ||
| 108 | R | 50.1 | Low | 46.7 | Very low | 255 Ų | 255 | 149.5 Ų | 149.5 | 96% | 0.962 | 75% | 0.754 | S | S | * | * | trans | -62.9 | 83.6 | 170.6 | -73.6 | -169.8 | -179.2 | -129.3 | 3.6 | 107.8 | P106 | P106-R108 PolarHBondContact O-N 2.99Š| ||
| 109 | R | 49.9 | Very low | 45.8 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -129.5 | 102 | 167.4 | -141.7 | 175.8 | -161.5 | -164.6 | 4 | 107.4 | P107 | P107-R109 PolarHBondContact O-N 2.69Š| ||
| 110 | Y | 38.5 | Very low | 45.2 | Very low | 238 Ų | 238 | 153.8 Ų | 153.8 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 104.1 | 114.7 | 155.4 | -144.8 | -99.1 | 0 | 0 | 0 | 117.8 | ||
| 111 | G | 43.3 | Very low | 44.8 | Very low | 63 Ų | 63 | 154.3 Ų | 154.3 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | 125.9 | 84.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 112 | G | 36.9 | Very low | 44.2 | Very low | 77 Ų | 77 | 156.5 Ų | 156.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -145.6 | 79.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G114 | G112-G114 PolarHBondContact O-N 3.14Å; G112-G114 VanDerWaalsContact O-N 3.14Å | ||
| 113 | Y | 44.6 | Very low | 43.8 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -66.1 | 98.5 | 172 | 38.7 | -86 | 0 | 0 | 0 | 109.6 | ||||
| 114 | G | 39.7 | Very low | 43.5 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -126.8 | 84.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | G112 | G112-G114 PolarHBondContact O-N 3.14Å; G112-G114 VanDerWaalsContact O-N 3.14Å | ||
| 115 | R | 39.2 | Very low | 43.2 | Very low | 215 Ų | 215 | 155.8 Ų | 155.8 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | 33.1 | 103.6 | 131.8 | -63.2 | -75.1 | -169.5 | -96.2 | 2 | 115.1 | ||||
| 116 | R | 40.6 | Very low | 42.3 | Very low | 227 Ų | 227 | 162.1 Ų | 162.1 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | 59.2 | 96.9 | 100.6 | -170 | 179.5 | -124.4 | -136 | 0.9 | 112.7 | |||||
| 117 | S | 40.3 | Very low | 41.6 | Very low | 107 Ų | 107 | 167 Ų | 167 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | 169.6 | 131.8 | 118.3 | -81.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 118 | R | 39.7 | Very low | 41 | Very low | 209 Ų | 209 | 173 Ų | 173 | 79% | 0.789 | 82% | 0.824 | S | S | * | * | trans | 77.9 | 79.9 | 138.4 | -139.6 | 161.5 | -159.6 | 160.8 | 1.4 | 116.8 | R120 | R118-R120 PolarHBondContact O-N 2.89Š| ||
| 119 | S | 37.2 | Very low | 40.2 | Very low | 131 Ų | 131 | 172 Ų | 172 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | trans | -61.6 | 88.9 | 151.2 | 15.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 120 | R | 38.5 | Very low | 39.5 | Very low | 211 Ų | 211 | 165.4 Ų | 165.4 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -80.1 | 130.6 | 156.1 | -97.8 | 178.4 | 172.5 | 168.5 | -3.7 | 107.8 | R118 | R118-R120 PolarHBondContact O-N 2.89Š| ||
| 121 | S | 43.2 | Very low | 39.4 | Very low | 112 Ų | 112 | 165.8 Ų | 165.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | trans | -49.7 | 135.3 | -173.6 | -33.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 122 | T | 40.6 | Very low | 39 | Very low | 139 Ų | 139 | 168.5 Ų | 168.5 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | -149.8 | 107 | 148.8 | -65.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 123 | S | 42.7 | Very low | 38.9 | Very low | 110 Ų | 110 | 176.6 Ų | 176.6 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -61.6 | 148.3 | 179 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 124 | P | 45.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 171.8 Ų | 171.8 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | -113.9 | 120.3 | 138.1 | -2.4 | 22.2 | 0 | 0 | 0 | 110.2 | ||||
| 125 | R | 44.4 | Very low | 38.3 | Very low | 237 Ų | 237 | 180.2 Ų | 180.2 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -41 | 139.9 | 157 | -75.2 | 174.4 | 153.1 | -158.1 | -4.3 | 109.7 | ||||
| 126 | R | 36.6 | Very low | 38 | Very low | 209 Ų | 209 | 175 Ų | 175 | 79% | 0.789 | 83% | 0.828 | S | S | * | * | -174.1 | 124.2 | 111.3 | -75.7 | -134.2 | -174.7 | -124.2 | -1.5 | 112 | |||||
| 127 | R | 35.5 | Very low | 37.7 | Very low | 211 Ų | 211 | 175.3 Ų | 175.3 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | 58.3 | 106.2 | 134.5 | -73.4 | -179.4 | 168.9 | 176.4 | -5.8 | 119.9 | ||||
| 128 | R | 34.3 | Very low | 37.4 | Very low | 246 Ų | 246 | 175 Ų | 175 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | 18.8 | 134.4 | 133 | -57 | -161.7 | -175.8 | -109.8 | 5.6 | 117.5 | ||||
| 129 | R | 33.8 | Very low | 37.1 | Very low | 234 Ų | 234 | 176.7 Ų | 176.7 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | 169.4 | 113.4 | 99.5 | -160.3 | 165.7 | -170.7 | -170.2 | 2.6 | 111.7 | |||||
| 130 | S | 35.6 | Very low | 36.8 | Very low | 92 Ų | 92 | 175.3 Ų | 175.3 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | trans | 44.1 | 119.4 | 149.2 | 67.5 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 131 | R | 34.6 | Very low | 36.5 | Very low | 245 Ų | 245 | 176.1 Ų | 176.1 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | 170.5 | 127.6 | 98.6 | -104.5 | 171.9 | 171.5 | 148.9 | -4.1 | 110.7 | |||||
| 132 | S | 36.9 | Very low | 36 | Very low | 120 Ų | 120 | 175.2 Ų | 175.2 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -62.5 | 136 | 176.6 | -31.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 133 | R | 34.8 | Very low | 35.7 | Very low | 248 Ų | 248 | 180.3 Ų | 180.3 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | trans | -165.5 | 113.3 | 137 | -114.2 | 167.8 | -179.6 | 167.3 | -0.2 | 112.3 | ||||
| 134 | S | 34.7 | Very low | 35.1 | Very low | 110 Ų | 110 | 180 Ų | 180 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -59.1 | 139.1 | 166.6 | 30.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 135 | R | 35.1 | Very low | 34.5 | Very low | 245 Ų | 245 | 185.1 Ų | 185.1 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | trans | -175.4 | 113.2 | 131.5 | -108.3 | 168.6 | 174.4 | 167.7 | -1.8 | 112.6 | ||||
| 136 | S | 33.4 | Very low | 33.9 | Very low | 104 Ų | 104 | 181.4 Ų | 181.4 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | trans | -47.9 | 141.4 | 159.2 | 44.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 137 | R | 35.3 | Very low | 33.8 | Very low | 235 Ų | 235 | 183.3 Ų | 183.3 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | 178.3 | 105.7 | 130.1 | -103.4 | 166.6 | 172.5 | 164.1 | -2.7 | 113 | ||||
| 138 | S | 32.5 | Very low | 33.5 | Very low | 101 Ų | 101 | 183.5 Ų | 183.5 | 71% | 0.706 | 83% | 0.833 | S | S | * | * | trans | 21.5 | 126.9 | 131.5 | 27 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 139 | R | 34.1 | Very low | 33.4 | Very low | 244 Ų | 244 | 175.6 Ų | 175.6 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | 160.6 | 120.5 | 98.1 | -113.3 | 165.9 | 177.2 | 167 | -2.6 | 111.1 | |||||
| 140 | S | 32.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 175.6 Ų | 175.6 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -65.6 | 144.9 | 159.6 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 141 | R | 32.3 | Very low | 32.9 | Very low | 229 Ų | 229 | 176.1 Ų | 176.1 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | 150.3 | 120.4 | 115.3 | -103 | 175.8 | 175 | 162.1 | -2.7 | 115 | |||||
| 142 | S | 31.6 | Very low | 32.6 | Very low | 93 Ų | 93 | 175.2 Ų | 175.2 | 65% | 0.65 | 82% | 0.815 | S | S | * | * | trans | 50.5 | 124 | 132.5 | 55.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 143 | R | 33.6 | Very low | 32.3 | Very low | 245 Ų | 245 | 173.9 Ų | 173.9 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | 65.8 | 144.5 | 125.1 | -69.7 | -176.7 | 173.1 | 166.3 | -2.3 | 121 | |||||
| 144 | S | 31.3 | Very low | 32.1 | Very low | 105 Ų | 105 | 173.3 Ų | 173.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | 82.6 | 142.6 | 168 | -138.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | R | 32.8 | Very low | 31.8 | Very low | 233 Ų | 233 | 172.9 Ų | 172.9 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | cis | -169.7 | 161.5 | 36.1 | -145.4 | 152.9 | -167.9 | -165 | 4.7 | 109.1 | ||||
| 146 | N | 32.2 | Very low | 31.4 | Very low | 159 Ų | 159 | 170.8 Ų | 170.8 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -32.9 | 144 | 177 | -100.9 | -30 | 0 | 0 | 0 | 117.9 | Y148 | N146-Y148 PolarHBondContact O-N 3.38Š| ||
| 147 | R | 33 | Very low | 31.3 | Very low | 250 Ų | 250 | 169.6 Ų | 169.6 | 94% | 0.943 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.9 | 161.9 | -80.9 | 178.5 | -177.6 | 178.2 | 1 | 110.2 | ||
| 148 | Y | 29.3 | Very low | 31.1 | Very low | 215 Ų | 215 | 169 Ų | 169 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 138.4 | 149.5 | -177.2 | -106.4 | 0 | 0 | 0 | 109.2 | N146 | N146-Y148 PolarHBondContact O-N 3.38Š|
| 149 | S | 32.3 | Very low | 31.2 | Very low | 79 Ų | 79 | 168.5 Ų | 168.5 | 55% | 0.552 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.2 | 177.5 | 27.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 150 | R | 30.5 | Very low | 31.1 | Very low | 234 Ų | 234 | 168.2 Ų | 168.2 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | 50.7 | 111.9 | 124.9 | -138 | 172.8 | -176.6 | 167.4 | -0 | 114.5 | |||||
| 151 | S | 28.8 | Very low | 31.4 | Very low | 103 Ų | 103 | 167.9 Ų | 167.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | 168.5 | 163.9 | 72 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 152 | R | 29.2 | Very low | 31.5 | Very low | 226 Ų | 226 | 168.2 Ų | 168.2 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 91 | 101.5 | 143 | -115.4 | 172.3 | 175.2 | 160 | -3.4 | 119.8 | ||||
| 153 | S | 29.2 | Very low | 31.8 | Very low | 93 Ų | 93 | 168.6 Ų | 168.6 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 78.9 | 142.2 | 120.2 | 58.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 154 | R | 31.4 | Very low | 31.9 | Very low | 235 Ų | 235 | 168.5 Ų | 168.5 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | 76.2 | 140.6 | 160.8 | -74.6 | 170.6 | 170.3 | 163.8 | -4.5 | 115.5 | ||||
| 155 | S | 27.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 168.8 Ų | 168.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | -179.8 | 153.3 | -24.3 | 32.4 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 156 | Y | 26.7 | Very low | 32.4 | Very low | 200 Ų | 200 | 167.3 Ų | 167.3 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | 74 | 100.6 | 155.1 | -169.2 | -107.5 | 0 | 0 | 0 | 118.7 | ||||
| 157 | S | 30.8 | Very low | 32.4 | Very low | 80 Ų | 80 | 165.1 Ų | 165.1 | 56% | 0.559 | 78% | 0.779 | S | S | * | * | 155.2 | 145 | 95.4 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 158 | R | 32.7 | Very low | 32.5 | Very low | 223 Ų | 223 | 163.4 Ų | 163.4 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 58.1 | 134.1 | 147.4 | -87 | 174.3 | 161.1 | 154.7 | -5.3 | 118.7 | ||||
| 159 | S | 33.3 | Very low | 32.8 | Very low | 89 Ų | 89 | 158.5 Ų | 158.5 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | 177.9 | 144.6 | -3.1 | 35.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 160 | R | 33.7 | Very low | 32.9 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 60.8 | 136.8 | 142 | -79.6 | 175 | 169.2 | 169.3 | -4.2 | 117.9 | ||||
| 161 | S | 36.5 | Very low | 33.1 | Very low | 94 Ų | 94 | 157.7 Ų | 157.7 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | cis | -178.5 | 147.2 | 14.8 | 31 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 162 | R | 35.8 | Very low | 33.3 | Very low | 237 Ų | 237 | 161.7 Ų | 161.7 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | 72.5 | 136.5 | 138.9 | -73.5 | 171.4 | 173.9 | 171.2 | -4.9 | 118.1 | ||||
| 163 | S | 37.6 | Very low | 33.5 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | -171.2 | 139.9 | 15.2 | 29.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 164 | R | 35.1 | Very low | 33.7 | Very low | 244 Ų | 244 | 162.5 Ų | 162.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 55.4 | 137.5 | 135 | -73.3 | 178.4 | 165.9 | 169.2 | -6.2 | 120.2 | ||||
| 165 | S | 36.7 | Very low | 33.8 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | -162.1 | 142.3 | 39 | -43.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 166 | K | 37.6 | Very low | 34.6 | Very low | 203 Ų | 203 | 157.1 Ų | 157.1 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 19.2 | 144 | 141.7 | -72.3 | 177.9 | 173.7 | -178.9 | 0 | 120.7 | ||||
| 167 | S | 33.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 159 Ų | 159 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | cis | -169.9 | 138 | 25.4 | 28.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 168 | K | 34 | Very low | 35 | Very low | 213 Ų | 213 | 165.9 Ų | 165.9 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -138.9 | 118.9 | 157.4 | -89 | -172.9 | 175.8 | 179.3 | 0 | 109.6 | ||||
| 169 | S | 35.7 | Very low | 35 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 124.2 | 164.9 | 27.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 170 | K | 35.4 | Very low | 35 | Very low | 202 Ų | 202 | 164.5 Ų | 164.5 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | 60 | 127.7 | 90.2 | -91.2 | -172.5 | 177.7 | -180 | 0 | 112 | |||||
| 171 | S | 33.7 | Very low | 35 | Very low | 94 Ų | 94 | 158.1 Ų | 158.1 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | cis | -172.9 | 162.4 | 34.1 | -18.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 172 | K | 33.9 | Very low | 34.9 | Very low | 187 Ų | 187 | 163 Ų | 163 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 74.2 | 100.5 | 139.5 | -72.6 | 172.9 | -177.8 | -175.2 | 0 | 118.1 | ||||
| 173 | S | 32.4 | Very low | 35 | Very low | 96 Ų | 96 | 157.3 Ų | 157.3 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | 79.3 | 113.6 | 82.3 | 71.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 174 | R | 33.6 | Very low | 35.1 | Very low | 239 Ų | 239 | 158.3 Ų | 158.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | 150.3 | 120.1 | 127.8 | -82.1 | 177.4 | 176.1 | -172.7 | -1.4 | 110.9 | |||||
| 175 | T | 33 | Very low | 35.1 | Very low | 129 Ų | 129 | 152.5 Ų | 152.5 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -61.6 | 171.1 | 157.1 | 53 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 176 | P | 45 | Very low | 34.9 | Very low | 96 Ų | 96 | 158.3 Ų | 158.3 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | cis | -148.7 | 175.1 | 20.3 | 42.8 | -22.8 | 0 | 0 | 0 | 117.5 | ||||
| 177 | R | 33 | Very low | 34.9 | Very low | 238 Ų | 238 | 153.6 Ų | 153.6 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 65.1 | 152.6 | 150.2 | -69.9 | 160.7 | 176.8 | -114.1 | -2.1 | 115.3 | ||||
| 178 | R | 32.8 | Very low | 34.9 | Very low | 225 Ų | 225 | 160.5 Ų | 160.5 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | cis | -167.1 | 147.1 | 19.1 | -155.4 | -174.3 | 165.4 | -156.6 | -2.1 | 107.8 | ||||
| 179 | S | 31.9 | Very low | 35 | Very low | 84 Ų | 84 | 155.8 Ų | 155.8 | 59% | 0.587 | 80% | 0.797 | S | S | * | * | trans | 47.1 | 120 | 143.9 | 59.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 180 | K | 34.3 | Very low | 34.9 | Very low | 200 Ų | 200 | 162.5 Ų | 162.5 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | 42.8 | 119.9 | 126.9 | -66.3 | 179.1 | 175.1 | 178.6 | 0 | 117.2 | |||||
| 181 | S | 33 | Very low | 35 | Very low | 103 Ų | 103 | 158.6 Ų | 158.6 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | 167.8 | 150.3 | 91.4 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 182 | K | 34.4 | Very low | 35 | Very low | 198 Ų | 198 | 166.2 Ų | 166.2 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | 75.7 | 114.3 | 146.3 | -74.3 | 167 | 179.8 | -174.8 | 0 | 119.8 | ||||
| 183 | S | 37.4 | Very low | 34.9 | Very low | 117 Ų | 117 | 162.8 Ų | 162.8 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -51 | 140.4 | 161 | -40.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 184 | P | 39.8 | Very low | 35 | Very low | 120 Ų | 120 | 167.5 Ų | 167.5 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 120.6 | 162.4 | 30.7 | -24.4 | 0 | 0 | 0 | 110.9 | ||
| 185 | S | 35.2 | Very low | 35 | Very low | 122 Ų | 122 | 161.4 Ų | 161.4 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 122 | 156.5 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | ||
| 186 | R | 34.3 | Very low | 35.1 | Very low | 232 Ų | 232 | 167.3 Ų | 167.3 | 88% | 0.875 | 83% | 0.827 | S | S | * | * | trans | -139.6 | 142.4 | 170 | -82 | -174.5 | 173.6 | -168.7 | -1.4 | 105 | ||||
| 187 | S | 36.7 | Very low | 34.7 | Very low | 105 Ų | 105 | 168.4 Ų | 168.4 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | cis | -172 | 133 | 6.2 | 35.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 188 | R | 32.7 | Very low | 34.9 | Very low | 258 Ų | 258 | 169.1 Ų | 169.1 | 97% | 0.974 | 84% | 0.84 | S | S | * | * | trans | -85.8 | 120.8 | 164.9 | -81.3 | 176.5 | 171.4 | 169.2 | -2.3 | 108.1 | ||||
| 189 | S | 36.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 164 Ų | 164 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -117.7 | 112.6 | 166.1 | 42.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 190 | R | 34.5 | Very low | 35.4 | Very low | 254 Ų | 254 | 170 Ų | 170 | 96% | 0.958 | 85% | 0.854 | S | S | * | * | trans | -115 | 112.5 | 164.9 | -84.6 | -177.8 | 172.9 | 173.3 | -2.3 | 106.9 | ||||
| 191 | S | 36.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 165.9 Ų | 165.9 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -94.6 | 122 | 165.9 | 41 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 192 | R | 34.1 | Very low | 35.7 | Very low | 255 Ų | 255 | 171.1 Ų | 171.1 | 96% | 0.962 | 86% | 0.86 | S | S | * | * | trans | -144.9 | 117.4 | 163.4 | -98.2 | -174 | 175.9 | 177.3 | -1.7 | 108.9 | ||||
| 193 | S | 33 | Very low | 35.9 | Very low | 115 Ų | 115 | 167 Ų | 167 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | trans | -131.2 | 141.6 | 159.8 | 42.8 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 194 | K | 33.7 | Very low | 36.1 | Very low | 195 Ų | 195 | 170.9 Ų | 170.9 | 85% | 0.848 | 86% | 0.859 | S | S | * | * | cis | -160.5 | 172.8 | 32.2 | -112.1 | 163.3 | -179.9 | -178.1 | 0 | 108.8 | ||||
| 195 | S | 33.3 | Very low | 35.8 | Very low | 110 Ų | 110 | 169.8 Ų | 169.8 | 77% | 0.769 | 85% | 0.854 | S | S | * | * | trans | 68.6 | 108.2 | 155.4 | 61.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 196 | R | 35.5 | Very low | 35.9 | Very low | 253 Ų | 253 | 175.5 Ų | 175.5 | 96% | 0.955 | 86% | 0.857 | S | S | * | * | trans | -140.7 | 103.8 | 143.4 | -80.8 | -169.2 | 173.3 | 176.2 | -4.4 | 110.1 | ||||
| 197 | S | 37 | Very low | 36.2 | Very low | 119 Ų | 119 | 169.9 Ų | 169.9 | 83% | 0.832 | 85% | 0.853 | S | S | * | * | trans | -69.3 | 136.8 | 162 | 37.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 198 | R | 37 | Very low | 36.2 | Very low | 253 Ų | 253 | 176.5 Ų | 176.5 | 96% | 0.955 | 86% | 0.862 | S | S | * | * | trans | -93.5 | 113.7 | 170.7 | -82.9 | 176.2 | 167 | 172 | -4.7 | 108.2 | ||||
| 199 | S | 36.1 | Very low | 37 | Very low | 119 Ų | 119 | 171.1 Ų | 171.1 | 83% | 0.832 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 123.1 | 166.1 | 38.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 200 | K | 38.5 | Very low | 37.6 | Very low | 209 Ų | 209 | 172 Ų | 172 | 91% | 0.909 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 140.2 | 165.7 | -87.8 | -178.9 | 173.7 | 179 | 0 | 109.1 | ||
| 201 | S | 36.2 | Very low | 37.5 | Very low | 114 Ų | 114 | 163.6 Ų | 163.6 | 80% | 0.797 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.8 | 173.3 | 46 | 0 | 0 | 0 | 0 | 114.7 | ||
| 202 | K | 38.7 | Very low | 37.9 | Very low | 212 Ų | 212 | 164 Ų | 164 | 92% | 0.922 | 86% | 0.856 | S | S | * | * | trans | -142.9 | 121.6 | 149.4 | -91.7 | -173.5 | 178.6 | 176.5 | 0 | 110 | ||||
| 203 | S | 38.8 | Very low | 38.2 | Very low | 113 Ų | 113 | 158.1 Ų | 158.1 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | trans | -66.7 | 140 | 166.6 | 43.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 204 | K | 39.8 | Very low | 38.6 | Very low | 197 Ų | 197 | 163.3 Ų | 163.3 | 86% | 0.857 | 85% | 0.846 | S | S | * | * | trans | 173.1 | 105.3 | 155.2 | -100.2 | 168.7 | -175.6 | -170 | 0 | 107.8 | ||||
| 205 | S | 35 | Very low | 38.9 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 68% | 0.678 | 84% | 0.842 | S | S | * | * | 84.8 | 118.3 | 90 | 67.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 206 | R | 35.6 | Very low | 39.4 | Very low | 242 Ų | 242 | 158.2 Ų | 158.2 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | 68.3 | 116.3 | 141.4 | -64.3 | 178.9 | 176.1 | -177.3 | -1 | 120.8 | ||||
| 207 | S | 40.6 | Very low | 39.9 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 85% | 0.845 | S | S | * | * | 171 | 111.6 | 127 | 38.5 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 208 | R | 37.7 | Very low | 40.2 | Very low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | 47.9 | 98.8 | 69 | -74.2 | -167.4 | 178 | -172.6 | -0.2 | 113.9 | |||||
| 209 | T | 49.3 | Very low | 40.6 | Very low | 145 Ų | 145 | 156 Ų | 156 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | trans | -155.3 | 153.9 | 131 | 39.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 210 | P | 48.1 | Very low | 41.1 | Very low | 131 Ų | 131 | 155.8 Ų | 155.8 | 85% | 0.851 | 84% | 0.842 | S | S | * | * | trans | -109.7 | 170 | -161.9 | 39.9 | -28.8 | 0 | 0 | 0 | 113.9 | ||||
| 211 | G | 34.3 | Very low | 41.4 | Very low | 78 Ų | 78 | 157.9 Ų | 157.9 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 131.4 | 126.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 212 | S | 43.3 | Very low | 42 | Very low | 127 Ų | 127 | 158.4 Ų | 158.4 | 89% | 0.888 | 85% | 0.848 | S | S | * | * | cis | -158.1 | 145.5 | 18.4 | 46.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 213 | N | 41.1 | Very low | 42.5 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 71% | 0.711 | 85% | 0.847 | S | S | * | * | trans | -116.6 | 144.1 | 177.3 | -159.4 | 16.7 | 0 | 0 | 0 | 108.4 | ||||
| 214 | R | 40.2 | Very low | 42.9 | Very low | 223 Ų | 223 | 158.4 Ų | 158.4 | 84% | 0.842 | 85% | 0.848 | S | S | * | * | trans | 68.9 | 135.7 | 155.8 | -75.1 | 165 | -177.8 | -173.9 | -1 | 119 | ||||
| 215 | G | 39.9 | Very low | 43.4 | Very low | 75 Ų | 75 | 159.1 Ų | 159.1 | 77% | 0.773 | 85% | 0.851 | S | S | * | * | trans | -91.4 | -174.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 216 | S | 43.9 | Very low | 43.9 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 87% | 0.867 | 86% | 0.86 | S | S | * | * | trans | -160.9 | 136 | 169.4 | 30.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 217 | K | 47.2 | Very low | 44.6 | Very low | 212 Ų | 212 | 152.4 Ų | 152.4 | 92% | 0.922 | 85% | 0.853 | S | S | * | * | trans | -69.6 | 144.9 | 168.2 | -76.5 | 169.3 | 168.4 | 171.6 | 0 | 111.2 | ||||
| 218 | S | 43.3 | Very low | 45.5 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 85% | 0.853 | S | S | * | * | trans | -177.2 | 109.6 | 145.1 | 46.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 219 | R | 45.6 | Very low | 46 | Very low | 253 Ų | 253 | 150.9 Ų | 150.9 | 96% | 0.955 | 85% | 0.851 | S | S | * | * | 53.7 | 105.1 | 87 | -90.6 | -171.6 | 173.3 | -175.8 | -0.4 | 116.1 | |||||
| 220 | S | 45.5 | Very low | 46.5 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | trans | -176.3 | 104.5 | 145.9 | 49.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 221 | R | 45.3 | Very low | 47.1 | Very low | 254 Ų | 254 | 149.2 Ų | 149.2 | 96% | 0.958 | 85% | 0.846 | S | S | * | * | 52.9 | 101.7 | 75.7 | -127.9 | -172.7 | -169.1 | -171.7 | 3 | 114.1 | |||||
| 222 | S | 48.3 | Very low | 47.9 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | -163.7 | 129.7 | 143.8 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 223 | K | 49 | Very low | 48.5 | Very low | 208 Ų | 208 | 150.4 Ų | 150.4 | 90% | 0.904 | 84% | 0.843 | S | S | * | * | trans | -85 | 148.8 | 176.6 | -79.7 | 169 | 165.4 | 175.1 | 0 | 110.9 | ||||
| 224 | S | 49.2 | Very low | 48.8 | Very low | 117 Ų | 117 | 150.8 Ų | 150.8 | 82% | 0.818 | 85% | 0.845 | S | S | * | * | trans | 176 | 106.4 | 135.6 | 42.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 225 | K | 49.6 | Very low | 49.3 | Very low | 211 Ų | 211 | 148.8 Ų | 148.8 | 92% | 0.917 | 85% | 0.845 | S | S | * | * | 51.5 | 98.8 | 72.8 | -112.1 | -168 | -176.7 | -171.1 | 0 | 114.3 | |||||
| 226 | S | 44.9 | Very low | 50.6 | Low | 124 Ų | 124 | 149.4 Ų | 149.4 | 87% | 0.867 | 84% | 0.842 | S | S | * | * | trans | 175.2 | 105.3 | 131.4 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 227 | G | 49.7 | Very low | 50.9 | Low | 74 Ų | 74 | 152.1 Ų | 152.1 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | -114.7 | -176.5 | 134.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 228 | P | 60.1 | Low | 52 | Low | 124 Ų | 124 | 150.8 Ų | 150.8 | 81% | 0.805 | 86% | 0.855 | S | S | * | * | cis | -132.7 | 179.9 | 2.9 | 39.5 | -22.1 | 0 | 0 | 0 | 112.8 | ||||
| 229 | K | 49.4 | Very low | 52.5 | Low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | trans | 178.2 | 120.5 | 130.5 | -102 | 175.7 | 178.7 | -174.7 | 0 | 111.9 | ||||
| 230 | S | 58.7 | Low | 52.8 | Low | 116 Ų | 116 | 147.4 Ų | 147.4 | 81% | 0.811 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 149.5 | 164.2 | -44.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 231 | P | 60.2 | Low | 53.3 | Low | 126 Ų | 126 | 149.3 Ų | 149.3 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 134.8 | 154.1 | 27.1 | -16.3 | 0 | 0 | 0 | 110.6 | ||
| 232 | G | 52.3 | Low | 53.7 | Low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 156.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 233 | N | 54.5 | Low | 54.1 | Low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 167.4 | 169 | -73.2 | -28.2 | 0 | 0 | 0 | 111.2 | ||
| 234 | N | 49.3 | Very low | 54.4 | Low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | trans | 90 | 136.7 | 164.8 | -55.1 | -9.2 | 0 | 0 | 0 | 114 | ||||
| 235 | E | 50.3 | Low | 54.8 | Low | 182 Ų | 182 | 141.6 Ų | 141.6 | 85% | 0.85 | 85% | 0.847 | S | S | * | * | cis | -155.9 | 148.4 | 19.7 | -120.2 | 148.8 | 119.5 | 0 | 0 | 107.9 | ||||
| 236 | A | 65.6 | Low | 55.2 | Low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | trans | -108.8 | 159.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 237 | E | 51.5 | Low | 56 | Low | 181 Ų | 181 | 137.3 Ų | 137.3 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | 106.9 | 150.7 | 170.6 | -62.6 | -80.7 | 137.2 | 0 | 0 | 114.8 | ||||
| 238 | P | 70.7 | Confident | 56.6 | Low | 185 Ų | 185 | 143.1 Ų | 143.1 | 100% | 1.201 | 85% | 0.846 | S | S | * | * | cis | -117.6 | 0 | -31.5 | 29.5 | -15 | 0 | 0 | 0 | 113.6 |
Retrieved 238 of 238 residues in 38.1 ms
(Link to these results)