| 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 | 85.8 | Confident | 96.8 | Very high | 79 Ų | 79 | 64.2 Ų | 64.2 | 39% | 0.389 | 32% | 0.322 | S | S | . | . | 0 | 121.6 | 0 | -176.8 | 160.5 | -96.5 | 0 | 0 | 107 | A35 P90 L118 K119 | M1-A35 HydrophobicContact CE-CB 3.95Å; M1-A35 HydrophobicContact CG-CB 3.66Å; M1-A35 HydrophobicContact SD-CB 3.29Å; M1-A35 WeakPolarHBondContact SD-CB 3.29Å; M1-P90 HydrophobicContact CE-CB 4.39Å; M1-P90 HydrophobicContact CE-CG 3.24Å; M1-P90 HydrophobicContact SD-CG 4.13Å; M1-L118 HydrophobicContact CE-CD1 3.46Å; M1-L118 VanDerWaalsContact CE-CD1 3.46Å; M1-L118 HydrophobicContact CE-CG 4.1Å; M1-L118 HydrophobicContact SD-CB 4.02Å; M1-L118 HydrophobicContact SD-CD1 4.07Å; M1-L118 HydrophobicContact SD-CG 4.12Å; M1-K119 WeakPolarHBondContact O-CE 3.42Å | |||
| 2 | D | 94.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 165.3 | -179.2 | -47.5 | -50.7 | 0 | 0 | 0 | 109.1 | W36 N38 | D2-W36 CarbonylContact C-O 3.41Å; D2-W36 WeakPolarHBondContact CA-O 3.28Å; D2-W36 VanDerWaalsContact CB-O 3.3Å; D2-W36 WeakPolarHBondContact CB-O 2.98Å; D2-W36 PolarHBondContact N-O 3.17Å; D2-W36 PolarHBondContact O-N 3.46Å; D2-W36 VanDerWaalsContact O-O 3.11Å; D2-N38 HydrophobicContact CB-CB 4.34Å; D2-N38 PolarHBondContact OD2-N 3.38Å |
| 3 | I | 96.3 | Very high | 97 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.4 | -179.5 | -59.3 | -60.2 | 0 | 0 | 0 | 108.8 | F5 E33 M34 W91 | I3-F5 HydrophobicContact CG2-CB 4.22Å; I3-E33 HydrophobicContact CG2-CB 3.78Å; I3-E33 HydrophobicContact CG2-CG 4.04Å; I3-M34 WeakPolarHBondContact CA-O 3.44Å; I3-W91 HydrophobicContact CD1-CE3 4.3Å; I3-W91 HydrophobicContact CD1-CZ3 3.78Å |
| 4 | V | 97.5 | Very high | 97.1 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 11% | 0.109 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.9 | 160 | 174.8 | 0 | 0 | 0 | 0 | 106.7 | M34 W36 L51 I56 | V4-M34 PolarHBondContact N-O 3.06Å; V4-M34 PolarHBondContact O-N 3.49Å; V4-W36 HydrophobicContact CG2-CB 4.21Å; V4-L51 HydrophobicContact CB-CD2 4.12Å; V4-L51 HydrophobicContact CB-CG 4.49Å; V4-L51 HydrophobicContact CG2-CB 4.14Å; V4-L51 HydrophobicContact CG2-CD2 4.27Å; V4-L51 HydrophobicContact CG2-CG 4.45Å; V4-I56 HydrophobicContact CG1-CD1 4.42Å |
| 5 | F | 98.4 | Very high | 97.2 | Very high | 127 Ų | 127 | 52.3 Ų | 52.3 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.6 | -175.6 | 68.3 | -91.1 | 0 | 0 | 0 | 112.2 | I3 E7 I32 E33 | I3-F5 HydrophobicContact CG2-CB 4.22Å; F5-E7 HydrophobicContact CD2-CG 3.99Å; F5-E7 HydrophobicContact CE2-CG 4.33Å; F5-I32 CarbonylContact C-O 3.58Å; F5-I32 WeakPolarHBondContact CA-O 3.37Å; F5-E33 HydrophobicContact CB-CG 4.28Å |
| 6 | I | 98.8 | Very high | 97.3 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 14% | 0.138 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.6 | 168.8 | -59.1 | 177.4 | 0 | 0 | 0 | 106.7 | L9 D31 I32 Y53 I56 A57 | I6-L9 HydrophobicContact CG2-CB 3.72Å; I6-D31 CarbonylContact O-C 3.3Å; I6-D31 WeakPolarHBondContact O-CA 3.48Å; I6-I32 HydrophobicContact CB-CB 4.45Å; I6-I32 PolarHBondContact N-O 2.84Å; I6-I32 PolarHBondContact O-N 3.39Å; I6-Y53 WeakPolarHBondContact CD1-O 3.35Å; I6-I56 HydrophobicContact CD1-CB 3.97Å; I6-I56 HydrophobicContact CD1-CG2 3.58Å; I6-A57 HydrophobicContact CD1-CB 4.15Å |
| 7 | E | 98.7 | Very high | 97.3 | Very high | 141 Ų | 141 | 51.7 Ų | 51.7 | 66% | 0.659 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 139.2 | 175.7 | -70.9 | 176.5 | 148.7 | 0 | 0 | 110 | F5 L9 | F5-E7 HydrophobicContact CD2-CG 3.99Å; F5-E7 HydrophobicContact CE2-CG 4.33Å; E7-L9 VanDerWaalsContact C-N 3.27Å; E7-L9 PolarHBondContact O-N 3.05Å |
| 8 | Q | 98.3 | Very high | 97.3 | Very high | 108 Ų | 108 | 57.4 Ų | 57.4 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 57 | 31.7 | 170.7 | -55.9 | -63.5 | -74.9 | 0 | 0 | 115.6 | S10 V29 F30 D31 | Q8-S10 PolarHBondContact O-N 2.82Å; Q8-S10 VanDerWaalsContact O-N 3.11Å; Q8-S10 PolarHBondContact O-OG 2.67Å; Q8-V29 HydrophobicContact CB-CG1 4.2Å; Q8-F30 PolarHBondContact N-O 2.85Å; Q8-D31 PolarHBondContact N-OD1 2.96Å; Q8-D31 PolarHBondContact NE2-OD1 2.84Å; Q8-D31 PolarHBondContact NE2-OD2 3.31Å |
| 9 | L | 98.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 15% | 0.152 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 115.8 | 171.1 | 174.6 | 65.5 | 0 | 0 | 0 | 109.2 | I6 E7 V11 V29 F30 I32 A57 V60 V61 | I6-L9 HydrophobicContact CG2-CB 3.72Å; E7-L9 VanDerWaalsContact C-N 3.27Å; E7-L9 PolarHBondContact O-N 3.05Å; L9-V11 HydrophobicContact CG-CG2 4.35Å; L9-V29 CarbonylContact O-C 3.58Å; L9-V29 WeakPolarHBondContact O-CA 3.34Å; L9-F30 HydrophobicContact CB-CB 4.27Å; L9-F30 PolarHBondContact N-O 2.99Å; L9-F30 PolarHBondContact O-N 2.65Å; L9-I32 HydrophobicContact CD2-CD1 4.43Å; L9-A57 HydrophobicContact CD1-CB 4.2Å; L9-A57 HydrophobicContact CD2-CB 4.08Å; L9-V60 HydrophobicContact CD2-CB 4.01Å; L9-V60 HydrophobicContact CD2-CG1 4.1Å; L9-V61 HydrophobicContact CD1-CG2 4.32Å |
| 10 | S | 98.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 43% | 0.434 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.5 | -176.1 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | Q8 L28 | Q8-S10 PolarHBondContact O-N 2.82Å; Q8-S10 VanDerWaalsContact O-N 3.11Å; Q8-S10 PolarHBondContact O-OG 2.67Å; S10-L28 WeakPolarHBondContact CA-O 3.25Å |
| 11 | V | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 136.7 | 177.2 | -167.9 | 0 | 0 | 0 | 0 | 109.6 | L9 L28 F30 V60 V61 V64 E65 | L9-V11 HydrophobicContact CG-CG2 4.35Å; V11-L28 PolarHBondContact N-O 2.62Å; V11-L28 PolarHBondContact O-N 3.36Å; V11-F30 HydrophobicContact CB-CE2 4.22Å; V11-F30 HydrophobicContact CG2-CD2 4.13Å; V11-F30 HydrophobicContact CG2-CE2 3.94Å; V11-V60 HydrophobicContact CG2-CG1 4.39Å; V11-V61 HydrophobicContact CG2-CG2 3.96Å; V11-V64 HydrophobicContact CB-CG1 4.27Å; V11-V64 HydrophobicContact CG1-CB 3.97Å; V11-V64 HydrophobicContact CG1-CG1 3.93Å; V11-E65 HydrophobicContact CG1-CB 3.79Å; V11-E65 HydrophobicContact CG1-CG 4.5Å |
| 12 | I | 98.4 | Very high | 97.8 | Very high | 66 Ų | 66 | 62.4 Ų | 62.4 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 127.6 | 178.9 | -57.2 | -56.6 | 0 | 0 | 0 | 109.6 | E25 K27 E65 G66 | I12-E25 HydrophobicContact CG2-CB 3.66Å; I12-E25 HydrophobicContact CG2-CG 4.26Å; I12-K27 HydrophobicContact CD1-CB 3.79Å; I12-K27 HydrophobicContact CD1-CG 4.1Å; I12-E65 WeakPolarHBondContact O-CA 3.21Å; I12-G66 PolarHBondContact O-N 3.22Å |
| 13 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 167.1 | -176.5 | -165.6 | 0 | 0 | 0 | 0 | 110.8 | I15 E25 Q26 L28 V64 A67 F69 | T13-I15 HydrophobicContact CG2-CB 4.1Å; T13-I15 HydrophobicContact CG2-CG2 4.01Å; T13-E25 WeakPolarHBondContact O-CA 3.4Å; T13-Q26 PolarHBondContact N-O 2.78Å; T13-Q26 PolarHBondContact O-N 3.07Å; T13-Q26 VanDerWaalsContact O-O 3.08Å; T13-L28 HydrophobicContact CG2-CD1 3.64Å; T13-L28 HydrophobicContact CG2-CG 3.93Å; T13-V64 WeakPolarHBondContact CB-O 3.37Å; T13-V64 HydrophobicContact CG2-CG1 3.99Å; T13-V64 PolarHBondContact OG1-O 2.81Å; T13-A67 PolarHBondContact OG1-O 2.79Å; T13-F69 HydrophobicContact CG2-CD2 4.48Å |
| 14 | T | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.7 | 168 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | Q22 A67 R68 F69 | T14-Q22 HydrophobicContact CG2-CB 4.47Å; T14-A67 PolarHBondContact N-O 2.9Å; T14-A67 VanDerWaalsContact N-O 3.1Å; T14-R68 HydrophobicContact CG2-CG 4.25Å; T14-R68 WeakPolarHBondContact O-CA 3.22Å; T14-F69 PolarHBondContact O-N 3.42Å |
| 15 | I | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 118.5 | -174.2 | 176.5 | 68 | 0 | 0 | 0 | 113.2 | T13 Q26 L28 F69 V72 V75 K98 | T13-I15 HydrophobicContact CG2-CB 4.1Å; T13-I15 HydrophobicContact CG2-CG2 4.01Å; I15-Q26 HydrophobicContact CG2-CB 3.74Å; I15-Q26 PolarHBondContact O-NE2 3.2Å; I15-L28 HydrophobicContact CG1-CD2 4.43Å; I15-L28 HydrophobicContact CG2-CD2 4.16Å; I15-L28 HydrophobicContact CG2-CG 4.3Å; I15-F69 VanDerWaalsContact CA-O 3.3Å; I15-F69 WeakPolarHBondContact CA-O 3.42Å; I15-F69 HydrophobicContact CD1-CB 3.51Å; I15-V72 HydrophobicContact CD1-CG1 4.21Å; I15-V72 HydrophobicContact CG1-CG1 4.11Å; I15-V75 HydrophobicContact CD1-CG2 4.42Å; I15-K98 HydrophobicContact CG1-CD 4.18Å; I15-K98 HydrophobicContact CG2-CD 4.43Å; I15-K98 PolarHBondContact O-NZ 3.03Å |
| 16 | G | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 66.5 Ų | 66.5 | 2% | 0.021 | 33% | 0.33 | C | S | . | . | trans | 158.3 | 163.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E21 Q22 F69 A70 | G16-E21 VanDerWaalsContact CA-CD 3.43Å; G16-E21 VanDerWaalsContact CA-OE2 3.23Å; G16-E21 WeakPolarHBondContact CA-OE2 3.36Å; G16-Q22 PolarHBondContact O-NE2 3.4Å; G16-F69 PolarHBondContact N-O 2.7Å; G16-A70 CarbonylContact C-O 3.6Å; G16-A70 VanDerWaalsContact C-O 3.3Å; G16-A70 WeakPolarHBondContact CA-O 3.47Å; G16-A70 WeakPolarHBondContact O-CA 3.3Å | ||
| 17 | V | 97.4 | Very high | 97.9 | Very high | 93 Ų | 93 | 69.8 Ų | 69.8 | 56% | 0.564 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -85.6 | -34.3 | -175 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | E21 L71 | V17-E21 PolarHBondContact N-OE2 2.95Å; V17-L71 HydrophobicContact CG2-CD2 3.71Å |
| 18 | Y | 97.3 | Very high | 97.9 | Very high | 154 Ų | 154 | 63.1 Ų | 63.1 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -81.7 | 146.8 | -174.9 | -55.5 | -66.6 | 0 | 0 | 0 | 111.7 | W20 E21 Q22 | Y18-W20 VanDerWaalsContact CB-CD1 3.48Å; Y18-W20 VanDerWaalsContact CB-NE1 3.31Å; Y18-W20 HydrophobicContact CD2-CZ2 4.45Å; Y18-W20 AromaticContact CD2-NE1 3.83Å; Y18-W20 AromaticContact CG-NE1 3.77Å; Y18-W20 PolarHBondContact O-N 3.04Å; Y18-W20 VanDerWaalsContact O-N 3.13Å; Y18-E21 VanDerWaalsContact CD2-OE2 3.31Å; Y18-E21 WeakPolarHBondContact CD2-OE2 3.06Å; Y18-E21 PolarHBondContact N-OE2 2.92Å; Y18-E21 WeakPolarHBondContact O-CA 3.25Å; Y18-E21 WeakPolarHBondContact O-CB 3.24Å; Y18-E21 PolarHBondContact O-N 3.35Å; Y18-Q22 PolarHBondContact O-N 3.01Å |
| 19 | D | 96.7 | Very high | 97.9 | Very high | 142 Ų | 142 | 58.1 Ų | 58.1 | 76% | 0.759 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -38.6 | -178.5 | -65.1 | -22.5 | 0 | 0 | 0 | 113 | E21 Q22 T23 | D19-E21 VanDerWaalsContact C-N 3.3Å; D19-E21 PolarHBondContact O-N 3.46Å; D19-Q22 WeakPolarHBondContact O-CB 3.29Å; D19-Q22 PolarHBondContact O-N 3.14Å; D19-Q22 VanDerWaalsContact O-N 3.12Å; D19-T23 PolarHBondContact O-N 2.9Å |
| 20 | W | 96.9 | Very high | 97.9 | Very high | 149 Ų | 149 | 56.8 Ų | 56.8 | 56% | 0.564 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -34.4 | 177.9 | 70 | -96 | 0 | 0 | 0 | 112.1 | Y18 Q22 T23 I24 | Y18-W20 VanDerWaalsContact CB-CD1 3.48Å; Y18-W20 VanDerWaalsContact CB-NE1 3.31Å; Y18-W20 HydrophobicContact CD2-CZ2 4.45Å; Y18-W20 AromaticContact CD2-NE1 3.83Å; Y18-W20 AromaticContact CG-NE1 3.77Å; Y18-W20 PolarHBondContact O-N 3.04Å; Y18-W20 VanDerWaalsContact O-N 3.13Å; W20-Q22 PolarHBondContact O-N 2.67Å; W20-T23 PolarHBondContact O-N 2.9Å; W20-T23 VanDerWaalsContact O-N 3.16Å; W20-T23 PolarHBondContact O-OG1 3.23Å; W20-I24 HydrophobicContact CE3-CD1 4.15Å; W20-I24 HydrophobicContact CZ3-CD1 3.75Å |
| 21 | E | 96.8 | Very high | 98 | Very high | 17 Ų | 17 | 55.1 Ų | 55.1 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -66.8 | -30.1 | 175.6 | -65 | -176 | 98.9 | 0 | 0 | 111.3 | G16 V17 Y18 D19 T23 I24 K98 | G16-E21 VanDerWaalsContact CA-CD 3.43Å; G16-E21 VanDerWaalsContact CA-OE2 3.23Å; G16-E21 WeakPolarHBondContact CA-OE2 3.36Å; V17-E21 PolarHBondContact N-OE2 2.95Å; Y18-E21 VanDerWaalsContact CD2-OE2 3.31Å; Y18-E21 WeakPolarHBondContact CD2-OE2 3.06Å; Y18-E21 PolarHBondContact N-OE2 2.92Å; Y18-E21 WeakPolarHBondContact O-CA 3.25Å; Y18-E21 WeakPolarHBondContact O-CB 3.24Å; Y18-E21 PolarHBondContact O-N 3.35Å; D19-E21 VanDerWaalsContact C-N 3.3Å; D19-E21 PolarHBondContact O-N 3.46Å; E21-T23 PolarHBondContact O-N 3.48Å; E21-I24 WeakPolarHBondContact O-CG1 3.3Å; E21-I24 PolarHBondContact O-N 3.08Å; E21-K98 IonicContact OE1-NZ 2.69Å; E21-K98 PolarHBondContact OE1-NZ 2.63Å |
| 22 | Q | 97.6 | Very high | 98 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 23% | 0.229 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -75 | -5.4 | 176.7 | -65.7 | -63.6 | -47.5 | 0 | 0 | 113.6 | T14 G16 Y18 D19 W20 F69 | T14-Q22 HydrophobicContact CG2-CB 4.47Å; G16-Q22 PolarHBondContact O-NE2 3.4Å; Y18-Q22 PolarHBondContact O-N 3.01Å; D19-Q22 WeakPolarHBondContact O-CB 3.29Å; D19-Q22 PolarHBondContact O-N 3.14Å; D19-Q22 VanDerWaalsContact O-N 3.12Å; W20-Q22 PolarHBondContact O-N 2.67Å; Q22-F69 PolarHBondContact NE2-O 2.76Å |
| 23 | T | 97.3 | Very high | 98 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -100.6 | -3.7 | 175.7 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | D19 W20 E21 | D19-T23 PolarHBondContact O-N 2.9Å; W20-T23 PolarHBondContact O-N 2.9Å; W20-T23 VanDerWaalsContact O-N 3.16Å; W20-T23 PolarHBondContact O-OG1 3.23Å; E21-T23 PolarHBondContact O-N 3.48Å |
| 24 | I | 97.2 | Very high | 97.9 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 36% | 0.359 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -127.5 | 155 | -176.4 | 62.8 | 165.6 | 0 | 0 | 0 | 111.5 | W20 E21 Q26 | W20-I24 HydrophobicContact CE3-CD1 4.15Å; W20-I24 HydrophobicContact CZ3-CD1 3.75Å; E21-I24 WeakPolarHBondContact O-CG1 3.3Å; E21-I24 PolarHBondContact O-N 3.08Å; I24-Q26 HydrophobicContact CD1-CG 3.87Å; I24-Q26 HydrophobicContact CG1-CG 4.16Å |
| 25 | E | 97.8 | Very high | 97.8 | Very high | 133 Ų | 133 | 55.3 Ų | 55.3 | 62% | 0.621 | 27% | 0.267 | S | S | * | . | trans | -92.3 | 140.6 | 168.1 | -65.6 | -174.3 | 148.2 | 0 | 0 | 110.3 | I12 T13 | I12-E25 HydrophobicContact CG2-CB 3.66Å; I12-E25 HydrophobicContact CG2-CG 4.26Å; T13-E25 WeakPolarHBondContact O-CA 3.4Å | ||
| 26 | Q | 98.1 | Very high | 97.6 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 14% | 0.136 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 152.3 | -179.8 | -64.6 | 171.7 | 66.1 | 0 | 0 | 109.2 | T13 I15 I24 | T13-Q26 PolarHBondContact N-O 2.78Å; T13-Q26 PolarHBondContact O-N 3.07Å; T13-Q26 VanDerWaalsContact O-O 3.08Å; I15-Q26 HydrophobicContact CG2-CB 3.74Å; I15-Q26 PolarHBondContact O-NE2 3.2Å; I24-Q26 HydrophobicContact CD1-CG 3.87Å; I24-Q26 HydrophobicContact CG1-CG 4.16Å |
| 27 | K | 97.9 | Very high | 97.4 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 42% | 0.422 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 131.6 | 177.1 | -175.9 | 173.1 | 63.4 | 175.1 | 0 | 110.2 | I12 V29 P99 | I12-K27 HydrophobicContact CD1-CB 3.79Å; I12-K27 HydrophobicContact CD1-CG 4.1Å; K27-V29 HydrophobicContact CD-CG2 4.01Å; K27-V29 HydrophobicContact CG-CG2 3.95Å; K27-P99 WeakPolarHBondContact O-CD 3.11Å |
| 28 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 142.8 | 160 | -68.2 | -176.2 | 0 | 0 | 0 | 109.4 | S10 V11 T13 I15 F30 V64 V72 V75 L96 S97 K98 | S10-L28 WeakPolarHBondContact CA-O 3.25Å; V11-L28 PolarHBondContact N-O 2.62Å; V11-L28 PolarHBondContact O-N 3.36Å; T13-L28 HydrophobicContact CG2-CD1 3.64Å; T13-L28 HydrophobicContact CG2-CG 3.93Å; I15-L28 HydrophobicContact CG1-CD2 4.43Å; I15-L28 HydrophobicContact CG2-CD2 4.16Å; I15-L28 HydrophobicContact CG2-CG 4.3Å; L28-F30 HydrophobicContact CB-CE2 3.79Å; L28-F30 HydrophobicContact CB-CZ 4.35Å; L28-F30 HydrophobicContact CD1-CZ 4.46Å; L28-V64 HydrophobicContact CD1-CG1 4.22Å; L28-V72 HydrophobicContact CD2-CG1 4.02Å; L28-V75 HydrophobicContact CD1-CB 4.49Å; L28-V75 HydrophobicContact CD1-CG1 4.02Å; L28-V75 HydrophobicContact CD1-CG2 4.2Å; L28-L96 HydrophobicContact CB-CD1 3.84Å; L28-L96 HydrophobicContact CD1-CD1 4.23Å; L28-L96 HydrophobicContact CD1-CD2 4.45Å; L28-L96 HydrophobicContact CD2-CD1 4.29Å; L28-L96 HydrophobicContact CG-CD1 4.34Å; L28-S97 WeakPolarHBondContact CA-O 3.5Å; L28-K98 HydrophobicContact CD2-CB 3.88Å; L28-K98 HydrophobicContact CD2-CG 4.01Å |
| 29 | V | 98.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.9 | -179.6 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | Q8 L9 K27 S97 P99 | Q8-V29 HydrophobicContact CB-CG1 4.2Å; L9-V29 CarbonylContact O-C 3.58Å; L9-V29 WeakPolarHBondContact O-CA 3.34Å; K27-V29 HydrophobicContact CD-CG2 4.01Å; K27-V29 HydrophobicContact CG-CG2 3.95Å; V29-S97 PolarHBondContact N-O 2.78Å; V29-S97 PolarHBondContact O-N 2.91Å; V29-P99 HydrophobicContact CG2-CG 3.83Å |
| 30 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.5 | -177.1 | -62.3 | -103.1 | 0 | 0 | 0 | 110 | Q8 L9 V11 L28 I32 V60 V64 V75 V79 I94 L96 | Q8-F30 PolarHBondContact N-O 2.85Å; L9-F30 HydrophobicContact CB-CB 4.27Å; L9-F30 PolarHBondContact N-O 2.99Å; L9-F30 PolarHBondContact O-N 2.65Å; V11-F30 HydrophobicContact CB-CE2 4.22Å; V11-F30 HydrophobicContact CG2-CD2 4.13Å; V11-F30 HydrophobicContact CG2-CE2 3.94Å; L28-F30 HydrophobicContact CB-CE2 3.79Å; L28-F30 HydrophobicContact CB-CZ 4.35Å; L28-F30 HydrophobicContact CD1-CZ 4.46Å; F30-I32 HydrophobicContact CB-CD1 4.05Å; F30-I32 HydrophobicContact CB-CG1 4.05Å; F30-V60 HydrophobicContact CD1-CG1 4.12Å; F30-V60 HydrophobicContact CD2-CG1 4.14Å; F30-V60 HydrophobicContact CE1-CG1 4.02Å; F30-V60 HydrophobicContact CE2-CG1 4.05Å; F30-V60 HydrophobicContact CG-CG1 4.19Å; F30-V60 HydrophobicContact CZ-CG1 4Å; F30-V64 HydrophobicContact CE2-CG1 4.44Å; F30-V64 HydrophobicContact CZ-CG1 4.26Å; F30-V64 HydrophobicContact CZ-CG2 4.05Å; F30-V75 HydrophobicContact CE1-CG1 4.03Å; F30-V75 HydrophobicContact CZ-CG1 3.7Å; F30-V79 HydrophobicContact CE1-CG2 4.11Å; F30-I94 HydrophobicContact CD1-CG2 4.1Å; F30-L96 HydrophobicContact CD1-CD1 3.71Å; F30-L96 HydrophobicContact CD2-CD1 3.96Å; F30-L96 HydrophobicContact CE1-CD1 3.46Å; F30-L96 VanDerWaalsContact CE1-CD1 3.46Å; F30-L96 HydrophobicContact CE1-CD2 4.04Å; F30-L96 HydrophobicContact CE1-CG 4.22Å; F30-L96 HydrophobicContact CE2-CD1 3.71Å; F30-L96 HydrophobicContact CG-CD1 3.94Å; F30-L96 HydrophobicContact CZ-CD1 3.45Å; F30-L96 VanDerWaalsContact CZ-CD1 3.45Å; F30-L96 HydrophobicContact CZ-CD2 4.28Å; F30-L96 HydrophobicContact CZ-CG 4.48Å |
| 31 | D | 98.9 | Very high | 97.3 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.4 | 154.5 | -50.1 | -60.5 | 0 | 0 | 0 | 107 | I6 Q8 I94 K95 | I6-D31 CarbonylContact O-C 3.3Å; I6-D31 WeakPolarHBondContact O-CA 3.48Å; Q8-D31 PolarHBondContact N-OD1 2.96Å; Q8-D31 PolarHBondContact NE2-OD1 2.84Å; Q8-D31 PolarHBondContact NE2-OD2 3.31Å; D31-I94 WeakPolarHBondContact O-CA 3.4Å; D31-K95 HydrophobicContact CB-CB 4.19Å; D31-K95 PolarHBondContact N-O 3.21Å; D31-K95 PolarHBondContact O-N 3.48Å; D31-K95 WeakPolarHBondContact OD2-CD 3.41Å; D31-K95 IonicContact OD2-NZ 3.97Å |
| 32 | I | 98.8 | Very high | 97.3 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.2 | -173.6 | -60.4 | 166.1 | 0 | 0 | 0 | 108.5 | F5 I6 L9 F30 M34 I56 V60 L83 V92 | F5-I32 CarbonylContact C-O 3.58Å; F5-I32 WeakPolarHBondContact CA-O 3.37Å; I6-I32 HydrophobicContact CB-CB 4.45Å; I6-I32 PolarHBondContact N-O 2.84Å; I6-I32 PolarHBondContact O-N 3.39Å; L9-I32 HydrophobicContact CD2-CD1 4.43Å; F30-I32 HydrophobicContact CB-CD1 4.05Å; F30-I32 HydrophobicContact CB-CG1 4.05Å; I32-M34 HydrophobicContact CG2-CG 4.06Å; I32-I56 HydrophobicContact CD1-CG2 4.37Å; I32-I56 HydrophobicContact CG2-CG2 4.43Å; I32-V60 HydrophobicContact CD1-CG2 3.71Å; I32-L83 HydrophobicContact CD1-CD1 4.36Å; I32-L83 HydrophobicContact CG2-CD1 3.96Å; I32-V92 HydrophobicContact CG2-CG2 4.31Å |
| 33 | E | 98.3 | Very high | 97.3 | Very high | 79 Ų | 79 | 63 Ų | 63 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.3 | 170.3 | -64.7 | 175.5 | -176.9 | 0 | 0 | 108.6 | I3 F5 W91 V92 R93 | I3-E33 HydrophobicContact CG2-CB 3.78Å; I3-E33 HydrophobicContact CG2-CG 4.04Å; F5-E33 HydrophobicContact CB-CG 4.28Å; E33-W91 HydrophobicContact CB-CH2 4.26Å; E33-W91 HydrophobicContact CB-CZ3 3.98Å; E33-V92 CarbonylContact O-C 3.52Å; E33-V92 WeakPolarHBondContact O-CA 3.45Å; E33-R93 HydrophobicContact CB-CB 4.27Å; E33-R93 PolarHBondContact N-O 2.73Å; E33-R93 PolarHBondContact O-N 2.86Å |
| 34 | M | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.5 | 176.5 | -70.3 | -175.2 | 74.5 | 0 | 0 | 111 | I3 V4 I32 L51 I56 L83 F87 S89 V92 | I3-M34 WeakPolarHBondContact CA-O 3.44Å; V4-M34 PolarHBondContact N-O 3.06Å; V4-M34 PolarHBondContact O-N 3.49Å; I32-M34 HydrophobicContact CG2-CG 4.06Å; M34-L51 HydrophobicContact CB-CD2 3.75Å; M34-L51 HydrophobicContact CE-CD2 4.46Å; M34-L51 HydrophobicContact SD-CD2 4.44Å; M34-I56 HydrophobicContact SD-CD1 3.62Å; M34-I56 HydrophobicContact SD-CG1 3.95Å; M34-I56 HydrophobicContact SD-CG2 4.39Å; M34-L83 HydrophobicContact CE-CB 3.87Å; M34-L83 HydrophobicContact SD-CB 3.99Å; M34-L83 HydrophobicContact SD-CD1 4.03Å; M34-L83 HydrophobicContact SD-CD2 4.41Å; M34-L83 HydrophobicContact SD-CG 4.37Å; M34-F87 HydrophobicContact CE-CB 4Å; M34-F87 HydrophobicContact CE-CD2 4.18Å; M34-F87 HydrophobicContact CE-CG 4.43Å; M34-S89 VanDerWaalsContact CE-CB 3.44Å; M34-V92 HydrophobicContact CG-CB 4.2Å; M34-V92 HydrophobicContact CG-CG2 3.72Å |
| 35 | A | 96 | Very high | 97.3 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 128.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 S89 P90 W91 | M1-A35 HydrophobicContact CE-CB 3.95Å; M1-A35 HydrophobicContact CG-CB 3.66Å; M1-A35 HydrophobicContact SD-CB 3.29Å; M1-A35 WeakPolarHBondContact SD-CB 3.29Å; A35-S89 PolarHBondContact N-OG 3.45Å; A35-S89 PolarHBondContact O-OG 2.73Å; A35-P90 HydrophobicContact CB-CG 3.95Å; A35-W91 HydrophobicContact CB-CB 3.96Å; A35-W91 HydrophobicContact CB-CE3 4.22Å; A35-W91 PolarHBondContact N-O 3.24Å |
| 36 | W | 94.8 | Very high | 97.2 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.6 | 173.4 | -162.8 | -111.7 | 0 | 0 | 0 | 111.8 | D2 V4 D49 L51 | D2-W36 CarbonylContact C-O 3.41Å; D2-W36 WeakPolarHBondContact CA-O 3.28Å; D2-W36 VanDerWaalsContact CB-O 3.3Å; D2-W36 WeakPolarHBondContact CB-O 2.98Å; D2-W36 PolarHBondContact N-O 3.17Å; D2-W36 PolarHBondContact O-N 3.46Å; D2-W36 VanDerWaalsContact O-O 3.11Å; V4-W36 HydrophobicContact CG2-CB 4.21Å; W36-D49 PolarHBondContact NE1-O 3.35Å; W36-L51 HydrophobicContact CB-CB 4.1Å; W36-L51 HydrophobicContact CB-CD2 3.99Å; W36-L51 HydrophobicContact CD2-CB 3.57Å; W36-L51 HydrophobicContact CD2-CD2 4.34Å; W36-L51 HydrophobicContact CD2-CG 4.5Å; W36-L51 HydrophobicContact CE3-CB 4.04Å; W36-L51 HydrophobicContact CE3-CD2 4.23Å; W36-L51 HydrophobicContact CG-CB 3.58Å; W36-L51 HydrophobicContact CG-CD2 4.27Å |
| 37 | D | 94.4 | Very high | 97 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 36% | 0.358 | 33% | 0.334 | S | S | . | . | trans | -103.7 | 103.1 | 171.1 | -178.3 | -1.9 | 0 | 0 | 0 | 109.4 | R39 | D37-R39 PolarHBondContact O-N 3Å; D37-R39 VanDerWaalsContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CB 3.29Å; D37-R39 VanDerWaalsContact OD1-CG 3.25Å; D37-R39 WeakPolarHBondContact OD1-CG 3.48Å; D37-R39 IonicContact OD1-CZ 3.69Å; D37-R39 PolarHBondContact OD1-N 2.99Å; D37-R39 IonicContact OD1-NE 2.82Å; D37-R39 PolarHBondContact OD1-NE 2.89Å; D37-R39 IonicContact OD1-NH2 3.73Å; D37-R39 IonicContact OD2-CZ 3.47Å; D37-R39 IonicContact OD2-NE 2.63Å; D37-R39 PolarHBondContact OD2-NE 3.18Å; D37-R39 IonicContact OD2-NH2 2.67Å; D37-R39 PolarHBondContact OD2-NH2 3.47Å | ||
| 38 | N | 95.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 65.1 Ų | 65.1 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.9 | -175.6 | -70.7 | -26.3 | 0 | 0 | 0 | 112.8 | D2 K40 A41 A42 | D2-N38 HydrophobicContact CB-CB 4.34Å; D2-N38 PolarHBondContact OD2-N 3.38Å; N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 2.96Å; N38-A41 PolarHBondContact O-N 3.47Å; N38-A42 VanDerWaalsContact O-CB 3.23Å; N38-A42 WeakPolarHBondContact O-CB 3.31Å; N38-A42 PolarHBondContact O-N 3.03Å |
| 39 | R | 96.8 | Very high | 96.6 | Very high | 167 Ų | 167 | 66.4 Ų | 66.4 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.5 | -30 | -173.2 | -65.7 | 175.3 | -66.6 | 179.5 | -0.2 | 113.3 | D37 K43 | D37-R39 PolarHBondContact O-N 3Å; D37-R39 VanDerWaalsContact OD1-CB 3.24Å; D37-R39 WeakPolarHBondContact OD1-CB 3.29Å; D37-R39 VanDerWaalsContact OD1-CG 3.25Å; D37-R39 WeakPolarHBondContact OD1-CG 3.48Å; D37-R39 IonicContact OD1-CZ 3.69Å; D37-R39 PolarHBondContact OD1-N 2.99Å; D37-R39 IonicContact OD1-NE 2.82Å; D37-R39 PolarHBondContact OD1-NE 2.89Å; D37-R39 IonicContact OD1-NH2 3.73Å; D37-R39 IonicContact OD2-CZ 3.47Å; D37-R39 IonicContact OD2-NE 2.63Å; D37-R39 PolarHBondContact OD2-NE 3.18Å; D37-R39 IonicContact OD2-NH2 2.67Å; D37-R39 PolarHBondContact OD2-NH2 3.47Å; R39-K43 VanDerWaalsContact O-CG 3.29Å; R39-K43 WeakPolarHBondContact O-CG 3.23Å; R39-K43 PolarHBondContact O-N 3.24Å |
| 40 | K | 96.3 | Very high | 96.4 | Very high | 133 Ų | 133 | 68.9 Ų | 68.9 | 58% | 0.578 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -70 | -58.8 | 176.9 | -168 | -171.2 | -179.7 | -159 | 0 | 109.9 | N38 A42 K43 S44 D49 | N38-K40 VanDerWaalsContact C-N 3.26Å; N38-K40 PolarHBondContact O-N 2.96Å; K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 3.06Å; K40-K43 PolarHBondContact O-N 3.48Å; K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 3.5Å; K40-S44 VanDerWaalsContact O-OG 3.06Å; K40-D49 HydrophobicContact CB-CB 4.45Å; K40-D49 HydrophobicContact CD-CB 4.03Å; K40-D49 WeakPolarHBondContact CD-OD1 3.33Å; K40-D49 VanDerWaalsContact CE-CG 3.42Å; K40-D49 WeakPolarHBondContact CE-OD1 3.28Å; K40-D49 WeakPolarHBondContact CE-OD2 3.34Å; K40-D49 HydrophobicContact CG-CB 4.1Å; K40-D49 IonicContact NZ-OD1 3.2Å; K40-D49 PolarHBondContact NZ-OD1 3.04Å; K40-D49 IonicContact NZ-OD2 3.34Å |
| 41 | A | 96.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 69.2 Ų | 69.2 | 8% | 0.083 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -53.4 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | N38 K43 S44 D45 D49 C50 | N38-A41 PolarHBondContact O-N 3.47Å; A41-K43 PolarHBondContact O-N 2.63Å; A41-S44 PolarHBondContact O-N 2.76Å; A41-S44 PolarHBondContact O-OG 3.07Å; A41-D45 WeakPolarHBondContact O-CA 3.47Å; A41-D45 PolarHBondContact O-N 3.01Å; A41-D49 HydrophobicContact CB-CB 3.99Å; A41-C50 WeakPolarHBondContact CB-SG 3.42Å |
| 42 | A | 97.3 | Very high | 96.2 | Very high | 84 Ų | 84 | 69.2 Ų | 69.2 | 69% | 0.694 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.7 | -23.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N38 K40 | N38-A42 VanDerWaalsContact O-CB 3.23Å; N38-A42 WeakPolarHBondContact O-CB 3.31Å; N38-A42 PolarHBondContact O-N 3.03Å; K40-A42 VanDerWaalsContact C-N 3.3Å; K40-A42 PolarHBondContact O-N 3.06Å |
| 43 | K | 98 | Very high | 96.1 | Very high | 184 Ų | 184 | 76.7 Ų | 76.7 | 80% | 0.8 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -92.6 | -37.3 | 177.2 | -73.8 | 176 | -178.2 | -178.7 | 0 | 112.6 | R39 K40 A41 | R39-K43 VanDerWaalsContact O-CG 3.29Å; R39-K43 WeakPolarHBondContact O-CG 3.23Å; R39-K43 PolarHBondContact O-N 3.24Å; K40-K43 PolarHBondContact O-N 3.48Å; A41-K43 PolarHBondContact O-N 2.63Å |
| 44 | S | 97.7 | Very high | 96.1 | Very high | 55 Ų | 55 | 75.5 Ų | 75.5 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -82.9 | -26 | -177.8 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | K40 A41 D46 D49 | K40-S44 PolarHBondContact O-N 3.22Å; K40-S44 PolarHBondContact O-OG 3.5Å; K40-S44 VanDerWaalsContact O-OG 3.06Å; A41-S44 PolarHBondContact O-N 2.76Å; A41-S44 PolarHBondContact O-OG 3.07Å; S44-D46 PolarHBondContact O-N 3.45Å; S44-D46 PolarHBondContact OG-N 3.21Å; S44-D49 VanDerWaalsContact CB-OD2 3.28Å; S44-D49 WeakPolarHBondContact CB-OD2 3.48Å; S44-D49 PolarHBondContact OG-OD2 2.87Å |
| 45 | D | 96.4 | Very high | 96.1 | Very high | 158 Ų | 158 | 78.7 Ų | 78.7 | 85% | 0.845 | 42% | 0.423 | S | S | * | . | trans | 54.3 | 27.4 | -168.1 | -155 | 35 | 0 | 0 | 0 | 112.3 | A41 | A41-D45 WeakPolarHBondContact O-CA 3.47Å; A41-D45 PolarHBondContact O-N 3.01Å | ||
| 46 | D | 95.7 | Very high | 96.3 | Very high | 80 Ų | 80 | 78.8 Ų | 78.8 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | trans | -106.3 | 123.2 | 179.8 | -168.9 | -17.2 | 0 | 0 | 0 | 110.1 | S44 A48 D49 | S44-D46 PolarHBondContact O-N 3.45Å; S44-D46 PolarHBondContact OG-N 3.21Å; D46-A48 PolarHBondContact O-N 2.91Å; D46-A48 WeakPolarHBondContact OD1-CB 3.39Å; D46-A48 PolarHBondContact OD1-N 3.18Å; D46-D49 WeakPolarHBondContact O-CB 3.26Å; D46-D49 PolarHBondContact O-N 2.91Å | ||
| 47 | V | 93 | Very high | 96.5 | Very high | 113 Ų | 113 | 76.6 Ų | 76.6 | 69% | 0.685 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -60.1 | -25 | 177.1 | 69.6 | 0 | 0 | 0 | 0 | 112.5 | D49 C50 | V47-D49 PolarHBondContact O-N 2.9Å; V47-C50 WeakPolarHBondContact O-CB 3.42Å; V47-C50 PolarHBondContact O-N 2.87Å |
| 48 | A | 94 | Very high | 96.7 | Very high | 80 Ų | 80 | 79 Ų | 79 | 66% | 0.661 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -64.7 | -18.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D46 | D46-A48 PolarHBondContact O-N 2.91Å; D46-A48 WeakPolarHBondContact OD1-CB 3.39Å; D46-A48 PolarHBondContact OD1-N 3.18Å |
| 49 | D | 94.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 76.5 Ų | 76.5 | 15% | 0.15 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -93.7 | -3.7 | 176.1 | -69.6 | -30 | 0 | 0 | 0 | 113.2 | W36 K40 A41 S44 D46 V47 | W36-D49 PolarHBondContact NE1-O 3.35Å; K40-D49 HydrophobicContact CB-CB 4.45Å; K40-D49 HydrophobicContact CD-CB 4.03Å; K40-D49 WeakPolarHBondContact CD-OD1 3.33Å; K40-D49 VanDerWaalsContact CE-CG 3.42Å; K40-D49 WeakPolarHBondContact CE-OD1 3.28Å; K40-D49 WeakPolarHBondContact CE-OD2 3.34Å; K40-D49 HydrophobicContact CG-CB 4.1Å; K40-D49 IonicContact NZ-OD1 3.2Å; K40-D49 PolarHBondContact NZ-OD1 3.04Å; K40-D49 IonicContact NZ-OD2 3.34Å; A41-D49 HydrophobicContact CB-CB 3.99Å; S44-D49 VanDerWaalsContact CB-OD2 3.28Å; S44-D49 WeakPolarHBondContact CB-OD2 3.48Å; S44-D49 PolarHBondContact OG-OD2 2.87Å; D46-D49 WeakPolarHBondContact O-CB 3.26Å; D46-D49 PolarHBondContact O-N 2.91Å; V47-D49 PolarHBondContact O-N 2.9Å |
| 50 | C | 95.6 | Very high | 96.9 | Very high | 55 Ų | 55 | 68.6 Ų | 68.6 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -88.7 | 154.8 | -179.6 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | A41 V47 S52 | A41-C50 WeakPolarHBondContact CB-SG 3.42Å; V47-C50 WeakPolarHBondContact O-CB 3.42Å; V47-C50 PolarHBondContact O-N 2.87Å; C50-S52 PolarHBondContact O-N 3.23Å |
| 51 | L | 96.4 | Very high | 97 | Very high | 7 Ų | 7 | 64.1 Ų | 64.1 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | trans | -82 | 107.7 | 154.3 | 174.8 | 59.4 | 0 | 0 | 0 | 108.4 | V4 M34 W36 Y53 I56 F87 | V4-L51 HydrophobicContact CB-CD2 4.12Å; V4-L51 HydrophobicContact CB-CG 4.49Å; V4-L51 HydrophobicContact CG2-CB 4.14Å; V4-L51 HydrophobicContact CG2-CD2 4.27Å; V4-L51 HydrophobicContact CG2-CG 4.45Å; M34-L51 HydrophobicContact CB-CD2 3.75Å; M34-L51 HydrophobicContact CE-CD2 4.46Å; M34-L51 HydrophobicContact SD-CD2 4.44Å; W36-L51 HydrophobicContact CB-CB 4.1Å; W36-L51 HydrophobicContact CB-CD2 3.99Å; W36-L51 HydrophobicContact CD2-CB 3.57Å; W36-L51 HydrophobicContact CD2-CD2 4.34Å; W36-L51 HydrophobicContact CD2-CG 4.5Å; W36-L51 HydrophobicContact CE3-CB 4.04Å; W36-L51 HydrophobicContact CE3-CD2 4.23Å; W36-L51 HydrophobicContact CG-CB 3.58Å; W36-L51 HydrophobicContact CG-CD2 4.27Å; L51-Y53 PolarHBondContact O-N 2.86Å; L51-I56 HydrophobicContact CD1-CD1 3.86Å; L51-I56 HydrophobicContact CD1-CG1 4.34Å; L51-I56 HydrophobicContact CD2-CD1 4.03Å; L51-I56 HydrophobicContact CG-CD1 3.7Å; L51-F87 HydrophobicContact CD1-CB 3.62Å; L51-F87 HydrophobicContact CD1-CD1 3.47Å; L51-F87 VanDerWaalsContact CD1-CD1 3.47Å; L51-F87 HydrophobicContact CD1-CE1 4.3Å; L51-F87 HydrophobicContact CD1-CG 3.62Å | ||
| 52 | S | 96.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 67.9 Ų | 67.9 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | trans | -71 | 110.1 | -175.4 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | C50 A54 D55 I56 | C50-S52 PolarHBondContact O-N 3.23Å; S52-A54 PolarHBondContact O-N 2.97Å; S52-A54 PolarHBondContact OG-N 3.32Å; S52-D55 VanDerWaalsContact CB-CG 3.43Å; S52-D55 WeakPolarHBondContact CB-OD1 3.36Å; S52-D55 PolarHBondContact O-N 2.87Å; S52-D55 PolarHBondContact OG-N 2.85Å; S52-D55 VanDerWaalsContact OG-N 3.12Å; S52-D55 PolarHBondContact OG-OD1 3.16Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 3.34Å | ||
| 53 | Y | 97.1 | Very high | 97.2 | Very high | 160 Ų | 160 | 66.9 Ų | 66.9 | 63% | 0.627 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.8 | -25.7 | 171.1 | 52.2 | -107.4 | 0 | 0 | 0 | 112.6 | I6 L51 A57 | I6-Y53 WeakPolarHBondContact CD1-O 3.35Å; L51-Y53 PolarHBondContact O-N 2.86Å; Y53-A57 WeakPolarHBondContact O-CB 3.45Å; Y53-A57 PolarHBondContact O-N 2.85Å |
| 54 | A | 97.9 | Very high | 97.2 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 45% | 0.446 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.4 | -46.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S52 I56 A57 E58 | S52-A54 PolarHBondContact O-N 2.97Å; S52-A54 PolarHBondContact OG-N 3.32Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 PolarHBondContact O-N 2.92Å; A54-A57 PolarHBondContact O-N 3.41Å; A54-E58 WeakPolarHBondContact O-CB 3.3Å; A54-E58 PolarHBondContact O-N 3.44Å |
| 55 | D | 98.2 | Very high | 97.2 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 36% | 0.358 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 178 | -60.9 | 21.8 | 0 | 0 | 0 | 111 | S52 T59 F87 | S52-D55 VanDerWaalsContact CB-CG 3.43Å; S52-D55 WeakPolarHBondContact CB-OD1 3.36Å; S52-D55 PolarHBondContact O-N 2.87Å; S52-D55 PolarHBondContact OG-N 2.85Å; S52-D55 VanDerWaalsContact OG-N 3.12Å; S52-D55 PolarHBondContact OG-OD1 3.16Å; D55-T59 VanDerWaalsContact O-CB 3.25Å; D55-T59 WeakPolarHBondContact O-CB 3.45Å; D55-T59 PolarHBondContact O-N 3.33Å; D55-T59 PolarHBondContact O-OG1 2.85Å; D55-F87 HydrophobicContact CB-CE1 3.78Å; D55-F87 HydrophobicContact CB-CZ 3.81Å |
| 56 | I | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.2 | -52.6 | 172.8 | -70.1 | 162.7 | 0 | 0 | 0 | 109.5 | V4 I6 I32 M34 L51 S52 A54 E58 T59 V60 L83 F87 | V4-I56 HydrophobicContact CG1-CD1 4.42Å; I6-I56 HydrophobicContact CD1-CB 3.97Å; I6-I56 HydrophobicContact CD1-CG2 3.58Å; I32-I56 HydrophobicContact CD1-CG2 4.37Å; I32-I56 HydrophobicContact CG2-CG2 4.43Å; M34-I56 HydrophobicContact SD-CD1 3.62Å; M34-I56 HydrophobicContact SD-CG1 3.95Å; M34-I56 HydrophobicContact SD-CG2 4.39Å; L51-I56 HydrophobicContact CD1-CD1 3.86Å; L51-I56 HydrophobicContact CD1-CG1 4.34Å; L51-I56 HydrophobicContact CD2-CD1 4.03Å; L51-I56 HydrophobicContact CG-CD1 3.7Å; S52-I56 WeakPolarHBondContact O-CG1 3.36Å; S52-I56 PolarHBondContact O-N 3.34Å; A54-I56 VanDerWaalsContact C-N 3.33Å; A54-I56 PolarHBondContact O-N 2.92Å; I56-E58 PolarHBondContact O-N 3.48Å; I56-T59 WeakPolarHBondContact O-CB 3.45Å; I56-T59 PolarHBondContact O-N 2.99Å; I56-V60 WeakPolarHBondContact O-CG2 3.43Å; I56-V60 PolarHBondContact O-N 3.01Å; I56-L83 HydrophobicContact CB-CD2 4.43Å; I56-L83 HydrophobicContact CG1-CD2 4.46Å; I56-L83 HydrophobicContact CG2-CD1 4.3Å; I56-L83 HydrophobicContact CG2-CD2 3.84Å; I56-F87 HydrophobicContact CB-CE2 4.38Å; I56-F87 HydrophobicContact CB-CZ 4.45Å; I56-F87 HydrophobicContact CG1-CD2 4.02Å; I56-F87 HydrophobicContact CG1-CE1 4.24Å; I56-F87 HydrophobicContact CG1-CE2 3.66Å; I56-F87 HydrophobicContact CG1-CG 4.48Å; I56-F87 HydrophobicContact CG1-CZ 3.79Å |
| 57 | A | 98.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I6 L9 Y53 A54 T59 V60 V61 | I6-A57 HydrophobicContact CD1-CB 4.15Å; L9-A57 HydrophobicContact CD1-CB 4.2Å; L9-A57 HydrophobicContact CD2-CB 4.08Å; Y53-A57 WeakPolarHBondContact O-CB 3.45Å; Y53-A57 PolarHBondContact O-N 2.85Å; A54-A57 PolarHBondContact O-N 3.41Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 3.48Å; A57-V60 PolarHBondContact O-N 2.92Å; A57-V61 WeakPolarHBondContact O-CB 3.35Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.34Å; A57-V61 PolarHBondContact O-N 3.43Å |
| 58 | E | 98.7 | Very high | 97.4 | Very high | 117 Ų | 117 | 56.2 Ų | 56.2 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 177.1 | -174.9 | -178.8 | -162.7 | 0 | 0 | 111.9 | A54 I56 V61 S62 | A54-E58 WeakPolarHBondContact O-CB 3.3Å; A54-E58 PolarHBondContact O-N 3.44Å; I56-E58 PolarHBondContact O-N 3.48Å; E58-V61 PolarHBondContact O-N 2.97Å; E58-S62 WeakPolarHBondContact O-CB 3.2Å; E58-S62 PolarHBondContact O-N 3.34Å; E58-S62 PolarHBondContact O-OG 3.12Å |
| 59 | T | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | D55 I56 A57 H63 L82 L83 R86 | D55-T59 VanDerWaalsContact O-CB 3.25Å; D55-T59 WeakPolarHBondContact O-CB 3.45Å; D55-T59 PolarHBondContact O-N 3.33Å; D55-T59 PolarHBondContact O-OG1 2.85Å; I56-T59 WeakPolarHBondContact O-CB 3.45Å; I56-T59 PolarHBondContact O-N 2.99Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 3.48Å; T59-H63 WeakPolarHBondContact O-CB 3.2Å; T59-H63 PolarHBondContact O-N 2.91Å; T59-L82 HydrophobicContact CG2-CD1 4.38Å; T59-L82 HydrophobicContact CG2-CD2 3.41Å; T59-L82 VanDerWaalsContact CG2-CD2 3.41Å; T59-L82 HydrophobicContact CG2-CG 3.56Å; T59-L83 HydrophobicContact CG2-CD2 4.11Å; T59-R86 WeakPolarHBondContact OG1-CD 3.28Å; T59-R86 PolarHBondContact OG1-NE 2.99Å; T59-R86 PolarHBondContact OG1-NH1 2.87Å |
| 60 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.4 | -47.9 | 178 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | L9 V11 F30 I32 I56 A57 S62 H63 V64 V79 L83 | L9-V60 HydrophobicContact CD2-CB 4.01Å; L9-V60 HydrophobicContact CD2-CG1 4.1Å; V11-V60 HydrophobicContact CG2-CG1 4.39Å; F30-V60 HydrophobicContact CD1-CG1 4.12Å; F30-V60 HydrophobicContact CD2-CG1 4.14Å; F30-V60 HydrophobicContact CE1-CG1 4.02Å; F30-V60 HydrophobicContact CE2-CG1 4.05Å; F30-V60 HydrophobicContact CG-CG1 4.19Å; F30-V60 HydrophobicContact CZ-CG1 4Å; I32-V60 HydrophobicContact CD1-CG2 3.71Å; I56-V60 WeakPolarHBondContact O-CG2 3.43Å; I56-V60 PolarHBondContact O-N 3.01Å; A57-V60 PolarHBondContact O-N 2.92Å; V60-S62 PolarHBondContact O-N 3.47Å; V60-H63 PolarHBondContact O-N 3.02Å; V60-V64 HydrophobicContact CG1-CG2 4.38Å; V60-V64 WeakPolarHBondContact O-CB 3.2Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.95Å; V60-V79 HydrophobicContact CG1-CG1 4.36Å; V60-V79 HydrophobicContact CG1-CG2 4.35Å; V60-V79 HydrophobicContact CG2-CG1 3.66Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å; V60-L83 HydrophobicContact CG2-CD2 4.24Å |
| 61 | V | 98.7 | Very high | 98 | Very high | 39 Ų | 39 | 55.2 Ų | 55.2 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 179.5 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | L9 V11 A57 E58 H63 V64 E65 | L9-V61 HydrophobicContact CD1-CG2 4.32Å; V11-V61 HydrophobicContact CG2-CG2 3.96Å; A57-V61 WeakPolarHBondContact O-CB 3.35Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.34Å; A57-V61 PolarHBondContact O-N 3.43Å; E58-V61 PolarHBondContact O-N 2.97Å; V61-H63 PolarHBondContact O-N 3.28Å; V61-V64 PolarHBondContact O-N 2.96Å; V61-E65 HydrophobicContact CG1-CB 4.12Å; V61-E65 WeakPolarHBondContact O-CB 3.5Å; V61-E65 PolarHBondContact O-N 2.95Å |
| 62 | S | 98.5 | Very high | 98.1 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 62% | 0.622 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.9 | -31.4 | -178.2 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | E58 V60 | E58-S62 WeakPolarHBondContact O-CB 3.2Å; E58-S62 PolarHBondContact O-N 3.34Å; E58-S62 PolarHBondContact O-OG 3.12Å; V60-S62 PolarHBondContact O-N 3.47Å |
| 63 | H | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 58.7 Ų | 58.7 | 30% | 0.296 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -80.4 | -36.2 | 178.9 | -174.9 | 71 | 0 | 0 | 0 | 112.8 | T59 V60 V61 E78 L82 | T59-H63 WeakPolarHBondContact O-CB 3.2Å; T59-H63 PolarHBondContact O-N 2.91Å; V60-H63 PolarHBondContact O-N 3.02Å; V61-H63 PolarHBondContact O-N 3.28Å; H63-E78 IonicContact CD2-OE2 3.98Å; H63-E78 IonicContact CE1-OE2 3.36Å; H63-E78 PolarHBondContact CE1-OE2 2.88Å; H63-E78 WeakPolarHBondContact NE2-CB 3.48Å; H63-E78 IonicContact NE2-OE2 2.76Å; H63-E78 PolarHBondContact NE2-OE2 3.44Å; H63-L82 HydrophobicContact CB-CD2 3.88Å |
| 64 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -100.8 | -34.3 | -168.2 | 178.6 | 0 | 0 | 0 | 0 | 112.7 | V11 T13 L28 F30 V60 V61 G66 A67 F69 V75 V79 | V11-V64 HydrophobicContact CB-CG1 4.27Å; V11-V64 HydrophobicContact CG1-CB 3.97Å; V11-V64 HydrophobicContact CG1-CG1 3.93Å; T13-V64 WeakPolarHBondContact CB-O 3.37Å; T13-V64 HydrophobicContact CG2-CG1 3.99Å; T13-V64 PolarHBondContact OG1-O 2.81Å; L28-V64 HydrophobicContact CD1-CG1 4.22Å; F30-V64 HydrophobicContact CE2-CG1 4.44Å; F30-V64 HydrophobicContact CZ-CG1 4.26Å; F30-V64 HydrophobicContact CZ-CG2 4.05Å; V60-V64 HydrophobicContact CG1-CG2 4.38Å; V60-V64 WeakPolarHBondContact O-CB 3.2Å; V60-V64 WeakPolarHBondContact O-CG2 3.33Å; V60-V64 PolarHBondContact O-N 2.95Å; V61-V64 PolarHBondContact O-N 2.96Å; V64-G66 PolarHBondContact O-N 2.82Å; V64-A67 WeakPolarHBondContact O-CB 3.36Å; V64-A67 PolarHBondContact O-N 2.92Å; V64-F69 HydrophobicContact CG1-CE2 4.19Å; V64-V75 HydrophobicContact CG1-CG1 4.27Å; V64-V75 HydrophobicContact CG2-CG1 3.85Å; V64-V79 HydrophobicContact CG2-CG2 3.88Å |
| 65 | E | 98.3 | Very high | 98.3 | Very high | 118 Ų | 118 | 54.3 Ų | 54.3 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 131.5 | -175.2 | -170.3 | 166.1 | -114 | 0 | 0 | 111.6 | V11 I12 V61 A67 | V11-E65 HydrophobicContact CG1-CB 3.79Å; V11-E65 HydrophobicContact CG1-CG 4.5Å; I12-E65 WeakPolarHBondContact O-CA 3.21Å; V61-E65 HydrophobicContact CG1-CB 4.12Å; V61-E65 WeakPolarHBondContact O-CB 3.5Å; V61-E65 PolarHBondContact O-N 2.95Å; E65-A67 PolarHBondContact O-N 3.36Å |
| 66 | G | 93.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 51.1 Ų | 51.1 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -5.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | I12 V64 | I12-G66 PolarHBondContact O-N 3.22Å; V64-G66 PolarHBondContact O-N 2.82Å |
| 67 | A | 97.7 | Very high | 98.4 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 24% | 0.24 | 29% | 0.288 | C | S | . | . | trans | -73.5 | 173.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T13 T14 V64 E65 F69 | T13-A67 PolarHBondContact OG1-O 2.79Å; T14-A67 PolarHBondContact N-O 2.9Å; T14-A67 VanDerWaalsContact N-O 3.1Å; V64-A67 WeakPolarHBondContact O-CB 3.36Å; V64-A67 PolarHBondContact O-N 2.92Å; E65-A67 PolarHBondContact O-N 3.36Å; A67-F69 HydrophobicContact CB-CD2 4.31Å; A67-F69 HydrophobicContact CB-CE2 3.48Å; A67-F69 VanDerWaalsContact CB-CE2 3.48Å; A67-F69 HydrophobicContact CB-CZ 3.78Å | ||
| 68 | R | 98.3 | Very high | 98.4 | Very high | 165 Ų | 165 | 55.3 Ų | 55.3 | 62% | 0.623 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.4 | 178.7 | -57.1 | -166.1 | 165.2 | -178.1 | -5.4 | 111 | T14 | T14-R68 HydrophobicContact CG2-CG 4.25Å; T14-R68 WeakPolarHBondContact O-CA 3.22Å |
| 69 | F | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.4 | -179 | -58.8 | -82.2 | 0 | 0 | 0 | 110.7 | T13 T14 I15 G16 Q22 V64 A67 R74 V75 E78 | T13-F69 HydrophobicContact CG2-CD2 4.48Å; T14-F69 PolarHBondContact O-N 3.42Å; I15-F69 VanDerWaalsContact CA-O 3.3Å; I15-F69 WeakPolarHBondContact CA-O 3.42Å; I15-F69 HydrophobicContact CD1-CB 3.51Å; G16-F69 PolarHBondContact N-O 2.7Å; Q22-F69 PolarHBondContact NE2-O 2.76Å; V64-F69 HydrophobicContact CG1-CE2 4.19Å; A67-F69 HydrophobicContact CB-CD2 4.31Å; A67-F69 HydrophobicContact CB-CE2 3.48Å; A67-F69 VanDerWaalsContact CB-CE2 3.48Å; A67-F69 HydrophobicContact CB-CZ 3.78Å; F69-R74 HydrophobicContact CD1-CG 4.36Å; F69-V75 HydrophobicContact CB-CG2 3.76Å; F69-V75 HydrophobicContact CD1-CG2 3.57Å; F69-V75 HydrophobicContact CD2-CG2 3.61Å; F69-V75 HydrophobicContact CE1-CG2 4.01Å; F69-V75 HydrophobicContact CE2-CG2 4.02Å; F69-V75 HydrophobicContact CG-CG2 3.36Å; F69-V75 HydrophobicContact CZ-CG2 4.21Å; F69-E78 WeakPolarHBondContact CE1-OE2 3.35Å |
| 70 | A | 98.3 | Very high | 98.4 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -90.4 | -40.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G16 | G16-A70 CarbonylContact C-O 3.6Å; G16-A70 VanDerWaalsContact C-O 3.3Å; G16-A70 WeakPolarHBondContact CA-O 3.47Å; G16-A70 WeakPolarHBondContact O-CA 3.3Å |
| 71 | L | 98.7 | Very high | 98.4 | Very high | 86 Ų | 86 | 55.8 Ų | 55.8 | 45% | 0.45 | 29% | 0.292 | S | S | . | . | trans | -126.5 | 141.2 | -167.3 | -64.7 | -178.4 | 0 | 0 | 0 | 111.1 | V17 E73 R74 | V17-L71 HydrophobicContact CG2-CD2 3.71Å; L71-E73 HydrophobicContact CB-CB 4.42Å; L71-E73 WeakPolarHBondContact CB-OE2 3.34Å; L71-R74 HydrophobicContact CB-CB 4.45Å; L71-R74 PolarHBondContact O-N 3.39Å | ||
| 72 | V | 98.6 | Very high | 98.3 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.6 | -27.8 | 174.2 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | I15 L28 R74 V75 A76 L96 K98 V110 | I15-V72 HydrophobicContact CD1-CG1 4.21Å; I15-V72 HydrophobicContact CG1-CG1 4.11Å; L28-V72 HydrophobicContact CD2-CG1 4.02Å; V72-R74 VanDerWaalsContact C-N 3.32Å; V72-R74 PolarHBondContact O-N 3.19Å; V72-V75 PolarHBondContact O-N 3.48Å; V72-A76 WeakPolarHBondContact O-CB 3.32Å; V72-A76 PolarHBondContact O-N 3.22Å; V72-L96 HydrophobicContact CB-CD2 4.01Å; V72-L96 HydrophobicContact CB-CG 4.4Å; V72-L96 VanDerWaalsContact O-CD2 3.3Å; V72-L96 WeakPolarHBondContact O-CD2 3.4Å; V72-K98 HydrophobicContact CG1-CB 4.03Å; V72-K98 HydrophobicContact CG1-CD 4.06Å; V72-V110 HydrophobicContact CG2-CG1 4.08Å; V72-V110 HydrophobicContact CG2-CG2 4.28Å |
| 73 | E | 98.8 | Very high | 98.4 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 43% | 0.43 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.8 | -47.2 | 173.2 | -67.7 | 74.4 | -174.5 | 0 | 0 | 111 | L71 V75 A76 E77 V110 | L71-E73 HydrophobicContact CB-CB 4.42Å; L71-E73 WeakPolarHBondContact CB-OE2 3.34Å; E73-V75 VanDerWaalsContact C-N 3.35Å; E73-V75 PolarHBondContact O-N 3.36Å; E73-A76 PolarHBondContact O-N 2.92Å; E73-E77 WeakPolarHBondContact O-CG 3.37Å; E73-E77 PolarHBondContact O-N 2.9Å; E73-V110 HydrophobicContact CG-CG1 4.04Å |
| 74 | R | 98.8 | Very high | 98.3 | Very high | 123 Ų | 123 | 51.2 Ų | 51.2 | 46% | 0.464 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 177.1 | 177.6 | 178.9 | 171.6 | -141.9 | -18.8 | 111.1 | F69 L71 V72 E77 E78 | F69-R74 HydrophobicContact CD1-CG 4.36Å; L71-R74 HydrophobicContact CB-CB 4.45Å; L71-R74 PolarHBondContact O-N 3.39Å; V72-R74 VanDerWaalsContact C-N 3.32Å; V72-R74 PolarHBondContact O-N 3.19Å; R74-E77 PolarHBondContact O-N 3.25Å; R74-E78 HydrophobicContact CG-CG 4.35Å; R74-E78 WeakPolarHBondContact CG-OE1 3.38Å; R74-E78 IonicContact CZ-OE1 3.26Å; R74-E78 VanDerWaalsContact CZ-OE1 3.26Å; R74-E78 IonicContact NE-OE1 2.65Å; R74-E78 PolarHBondContact NE-OE1 3.31Å; R74-E78 IonicContact NH2-OE1 2.92Å; R74-E78 PolarHBondContact NH2-OE1 2.7Å; R74-E78 IonicContact NH2-OE2 3.82Å; R74-E78 WeakPolarHBondContact O-CB 3.24Å; R74-E78 WeakPolarHBondContact O-CG 3.46Å; R74-E78 PolarHBondContact O-N 3.41Å |
| 75 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.6 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | I15 L28 F30 V64 F69 V72 E73 V79 L96 | I15-V75 HydrophobicContact CD1-CG2 4.42Å; L28-V75 HydrophobicContact CD1-CB 4.49Å; L28-V75 HydrophobicContact CD1-CG1 4.02Å; L28-V75 HydrophobicContact CD1-CG2 4.2Å; F30-V75 HydrophobicContact CE1-CG1 4.03Å; F30-V75 HydrophobicContact CZ-CG1 3.7Å; V64-V75 HydrophobicContact CG1-CG1 4.27Å; V64-V75 HydrophobicContact CG2-CG1 3.85Å; F69-V75 HydrophobicContact CB-CG2 3.76Å; F69-V75 HydrophobicContact CD1-CG2 3.57Å; F69-V75 HydrophobicContact CD2-CG2 3.61Å; F69-V75 HydrophobicContact CE1-CG2 4.01Å; F69-V75 HydrophobicContact CE2-CG2 4.02Å; F69-V75 HydrophobicContact CG-CG2 3.36Å; F69-V75 HydrophobicContact CZ-CG2 4.21Å; V72-V75 PolarHBondContact O-N 3.48Å; E73-V75 VanDerWaalsContact C-N 3.35Å; E73-V75 PolarHBondContact O-N 3.36Å; V75-V79 HydrophobicContact CG1-CG2 4.36Å; V75-V79 WeakPolarHBondContact O-CB 3.11Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.04Å; V75-L96 HydrophobicContact CB-CD2 3.65Å; V75-L96 HydrophobicContact CG1-CD2 3.64Å |
| 76 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | V72 E73 A80 L96 V110 I112 | V72-A76 WeakPolarHBondContact O-CB 3.32Å; V72-A76 PolarHBondContact O-N 3.22Å; E73-A76 PolarHBondContact O-N 2.92Å; A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3.01Å; A76-L96 HydrophobicContact CB-CB 4.33Å; A76-L96 HydrophobicContact CB-CD2 4.09Å; A76-V110 HydrophobicContact CB-CG2 3.76Å; A76-I112 VanDerWaalsContact C-CD1 3.49Å; A76-I112 HydrophobicContact CB-CD1 3.72Å; A76-I112 HydrophobicContact CB-CG1 4.17Å; A76-I112 WeakPolarHBondContact O-CD1 3.43Å |
| 77 | E | 98.8 | Very high | 98.4 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -50.6 | 178.1 | -69.8 | -76.5 | -157.7 | 0 | 0 | 112.4 | E73 R74 V79 A80 E81 R114 | E73-E77 WeakPolarHBondContact O-CG 3.37Å; E73-E77 PolarHBondContact O-N 2.9Å; R74-E77 PolarHBondContact O-N 3.25Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 2.65Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-A80 VanDerWaalsContact O-N 3.16Å; E77-E81 WeakPolarHBondContact O-CB 3.37Å; E77-E81 WeakPolarHBondContact O-CG 3.46Å; E77-E81 PolarHBondContact O-N 2.92Å; E77-R114 IonicContact OE1-CZ 2.76Å; E77-R114 IonicContact OE1-NE 2.7Å; E77-R114 IonicContact OE1-NH2 3.5Å; E77-R114 PolarHBondContact OE1-NH2 3.19Å; E77-R114 IonicContact OE2-CZ 3.95Å; E77-R114 IonicContact OE2-NE 3.67Å; E77-R114 PolarHBondContact OE2-NE 3.13Å; E77-R114 IonicContact OE2-NH2 2.63Å; E77-R114 PolarHBondContact OE2-NH2 3.48Å |
| 78 | E | 98.8 | Very high | 98.1 | Very high | 46 Ų | 46 | 60.2 Ų | 60.2 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -39.7 | -179.6 | -71.8 | -179.5 | -174.4 | 0 | 0 | 111.3 | H63 F69 R74 L82 | H63-E78 IonicContact CD2-OE2 3.98Å; H63-E78 IonicContact CE1-OE2 3.36Å; H63-E78 PolarHBondContact CE1-OE2 2.88Å; H63-E78 WeakPolarHBondContact NE2-CB 3.48Å; H63-E78 IonicContact NE2-OE2 2.76Å; H63-E78 PolarHBondContact NE2-OE2 3.44Å; F69-E78 WeakPolarHBondContact CE1-OE2 3.35Å; R74-E78 HydrophobicContact CG-CG 4.35Å; R74-E78 WeakPolarHBondContact CG-OE1 3.38Å; R74-E78 IonicContact CZ-OE1 3.26Å; R74-E78 VanDerWaalsContact CZ-OE1 3.26Å; R74-E78 IonicContact NE-OE1 2.65Å; R74-E78 PolarHBondContact NE-OE1 3.31Å; R74-E78 IonicContact NH2-OE1 2.92Å; R74-E78 PolarHBondContact NH2-OE1 2.7Å; R74-E78 IonicContact NH2-OE2 3.82Å; R74-E78 WeakPolarHBondContact O-CB 3.24Å; R74-E78 WeakPolarHBondContact O-CG 3.46Å; R74-E78 PolarHBondContact O-N 3.41Å; E78-L82 WeakPolarHBondContact O-CB 3.44Å; E78-L82 PolarHBondContact O-N 3.11Å |
| 79 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | F30 V60 V64 V75 E77 E81 L82 L83 I94 | F30-V79 HydrophobicContact CE1-CG2 4.11Å; V60-V79 HydrophobicContact CG1-CG1 4.36Å; V60-V79 HydrophobicContact CG1-CG2 4.35Å; V60-V79 HydrophobicContact CG2-CG1 3.66Å; V64-V79 HydrophobicContact CG2-CG2 3.88Å; V75-V79 HydrophobicContact CG1-CG2 4.36Å; V75-V79 WeakPolarHBondContact O-CB 3.11Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.04Å; E77-V79 VanDerWaalsContact C-N 3.29Å; E77-V79 PolarHBondContact O-N 2.65Å; V79-E81 PolarHBondContact O-N 2.82Å; V79-L82 PolarHBondContact O-N 3.19Å; V79-L83 HydrophobicContact CG1-CD1 3.77Å; V79-L83 HydrophobicContact CG1-CG 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.44Å; V79-L83 VanDerWaalsContact O-CG 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.89Å; V79-I94 HydrophobicContact CB-CD1 4.14Å; V79-I94 HydrophobicContact CG1-CD1 3.68Å |
| 80 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A76 E77 L83 L84 V92 I94 I112 R114 | A76-A80 WeakPolarHBondContact O-CB 3.43Å; A76-A80 PolarHBondContact O-N 3.01Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-A80 VanDerWaalsContact O-N 3.16Å; A80-L83 PolarHBondContact O-N 3.27Å; A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 VanDerWaalsContact O-CG 3.28Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.34Å; A80-V92 HydrophobicContact CB-CG1 3.91Å; A80-I94 HydrophobicContact CB-CD1 3.84Å; A80-I112 HydrophobicContact CB-CD1 3.85Å; A80-R114 HydrophobicContact CB-CB 4.36Å; A80-R114 HydrophobicContact CB-CG 3.88Å |
| 81 | E | 98.4 | Very high | 97.8 | Very high | 128 Ų | 128 | 53 Ų | 53 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -47.1 | 176 | -72.3 | 178.1 | -176.5 | 0 | 0 | 111.6 | E77 V79 L83 L84 A85 | E77-E81 WeakPolarHBondContact O-CB 3.37Å; E77-E81 WeakPolarHBondContact O-CG 3.46Å; E77-E81 PolarHBondContact O-N 2.92Å; V79-E81 PolarHBondContact O-N 2.82Å; E81-L83 PolarHBondContact O-N 2.92Å; E81-L84 PolarHBondContact O-N 3.03Å; E81-A85 VanDerWaalsContact O-CB 3.26Å; E81-A85 WeakPolarHBondContact O-CB 3.38Å; E81-A85 PolarHBondContact O-N 2.92Å |
| 82 | L | 98.4 | Very high | 97.7 | Very high | 58 Ų | 58 | 49 Ų | 49 | 30% | 0.304 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | -179.9 | -177.7 | 61.5 | 0 | 0 | 0 | 112.2 | T59 H63 E78 V79 R86 | T59-L82 HydrophobicContact CG2-CD1 4.38Å; T59-L82 HydrophobicContact CG2-CD2 3.41Å; T59-L82 VanDerWaalsContact CG2-CD2 3.41Å; T59-L82 HydrophobicContact CG2-CG 3.56Å; H63-L82 HydrophobicContact CB-CD2 3.88Å; E78-L82 WeakPolarHBondContact O-CB 3.44Å; E78-L82 PolarHBondContact O-N 3.11Å; V79-L82 PolarHBondContact O-N 3.19Å; L82-R86 WeakPolarHBondContact O-CB 3.41Å; L82-R86 PolarHBondContact O-N 3.33Å |
| 83 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.8 | -44.8 | 179.8 | -68.7 | -179.4 | 0 | 0 | 0 | 112 | I32 M34 I56 T59 V60 V79 A80 E81 F87 V92 I94 | I32-L83 HydrophobicContact CD1-CD1 4.36Å; I32-L83 HydrophobicContact CG2-CD1 3.96Å; M34-L83 HydrophobicContact CE-CB 3.87Å; M34-L83 HydrophobicContact SD-CB 3.99Å; M34-L83 HydrophobicContact SD-CD1 4.03Å; M34-L83 HydrophobicContact SD-CD2 4.41Å; M34-L83 HydrophobicContact SD-CG 4.37Å; I56-L83 HydrophobicContact CB-CD2 4.43Å; I56-L83 HydrophobicContact CG1-CD2 4.46Å; I56-L83 HydrophobicContact CG2-CD1 4.3Å; I56-L83 HydrophobicContact CG2-CD2 3.84Å; T59-L83 HydrophobicContact CG2-CD2 4.11Å; V60-L83 HydrophobicContact CG2-CD1 4.32Å; V60-L83 HydrophobicContact CG2-CD2 4.24Å; V79-L83 HydrophobicContact CG1-CD1 3.77Å; V79-L83 HydrophobicContact CG1-CG 4.08Å; V79-L83 WeakPolarHBondContact O-CB 3.44Å; V79-L83 VanDerWaalsContact O-CG 3.22Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.89Å; A80-L83 PolarHBondContact O-N 3.27Å; E81-L83 PolarHBondContact O-N 2.92Å; L83-F87 HydrophobicContact CD2-CD2 4Å; L83-F87 HydrophobicContact CD2-CE2 3.67Å; L83-F87 WeakPolarHBondContact O-CB 3.25Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.39Å; L83-V92 HydrophobicContact CD1-CG2 4.27Å; L83-I94 HydrophobicContact CD1-CD1 4.32Å |
| 84 | L | 97.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 47.7 Ų | 47.7 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.7 | -69.4 | 172.8 | 0 | 0 | 0 | 111.2 | A80 E81 N88 S89 V92 R114 | A80-L84 WeakPolarHBondContact O-CB 3.44Å; A80-L84 VanDerWaalsContact O-CG 3.28Å; A80-L84 WeakPolarHBondContact O-CG 3.37Å; A80-L84 PolarHBondContact O-N 3.34Å; E81-L84 PolarHBondContact O-N 3.03Å; L84-N88 WeakPolarHBondContact O-CA 3.4Å; L84-N88 PolarHBondContact O-N 3.03Å; L84-S89 WeakPolarHBondContact CD2-O 3.5Å; L84-V92 HydrophobicContact CD1-CG1 3.94Å; L84-V92 HydrophobicContact CD2-CB 4.11Å; L84-V92 HydrophobicContact CD2-CG1 3.87Å; L84-V92 HydrophobicContact CG-CB 4.41Å; L84-V92 HydrophobicContact CG-CG1 3.74Å; L84-R114 HydrophobicContact CD1-CB 3.68Å |
| 85 | A | 97.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 46 Ų | 46 | 70% | 0.702 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67.2 | -43.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E81 | E81-A85 VanDerWaalsContact O-CB 3.26Å; E81-A85 WeakPolarHBondContact O-CB 3.38Å; E81-A85 PolarHBondContact O-N 2.92Å |
| 86 | R | 97.9 | Very high | 97.7 | Very high | 136 Ų | 136 | 46 Ų | 46 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -73 | -41.4 | -176.1 | -178.5 | 172.3 | 178.7 | 157.7 | -0.6 | 112.9 | T59 L82 | T59-R86 WeakPolarHBondContact OG1-CD 3.28Å; T59-R86 PolarHBondContact OG1-NE 2.99Å; T59-R86 PolarHBondContact OG1-NH1 2.87Å; L82-R86 WeakPolarHBondContact O-CB 3.41Å; L82-R86 PolarHBondContact O-N 3.33Å |
| 87 | F | 96.5 | Very high | 97.7 | Very high | 25 Ų | 25 | 46.2 Ų | 46.2 | 11% | 0.11 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -101.7 | -4.5 | -171.5 | -62.7 | -73 | 0 | 0 | 0 | 113.7 | M34 L51 D55 I56 L83 S89 | M34-F87 HydrophobicContact CE-CB 4Å; M34-F87 HydrophobicContact CE-CD2 4.18Å; M34-F87 HydrophobicContact CE-CG 4.43Å; L51-F87 HydrophobicContact CD1-CB 3.62Å; L51-F87 HydrophobicContact CD1-CD1 3.47Å; L51-F87 VanDerWaalsContact CD1-CD1 3.47Å; L51-F87 HydrophobicContact CD1-CE1 4.3Å; L51-F87 HydrophobicContact CD1-CG 3.62Å; D55-F87 HydrophobicContact CB-CE1 3.78Å; D55-F87 HydrophobicContact CB-CZ 3.81Å; I56-F87 HydrophobicContact CB-CE2 4.38Å; I56-F87 HydrophobicContact CB-CZ 4.45Å; I56-F87 HydrophobicContact CG1-CD2 4.02Å; I56-F87 HydrophobicContact CG1-CE1 4.24Å; I56-F87 HydrophobicContact CG1-CE2 3.66Å; I56-F87 HydrophobicContact CG1-CG 4.48Å; I56-F87 HydrophobicContact CG1-CZ 3.79Å; L83-F87 HydrophobicContact CD2-CD2 4Å; L83-F87 HydrophobicContact CD2-CE2 3.67Å; L83-F87 WeakPolarHBondContact O-CB 3.25Å; L83-F87 WeakPolarHBondContact O-CD2 3.4Å; L83-F87 PolarHBondContact O-N 3.39Å; F87-S89 PolarHBondContact O-N 2.82Å; F87-S89 VanDerWaalsContact O-N 3.08Å |
| 88 | N | 93.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 44 Ų | 44 | 77% | 0.77 | 22% | 0.222 | S | C | * | . | trans | 51.2 | 33.2 | -177.1 | -167.4 | 52.1 | 0 | 0 | 0 | 112.3 | L84 | L84-N88 WeakPolarHBondContact O-CA 3.4Å; L84-N88 PolarHBondContact O-N 3.03Å | ||
| 89 | S | 94.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | trans | -76.9 | 140.6 | 173.3 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | M34 A35 L84 F87 W91 | M34-S89 VanDerWaalsContact CE-CB 3.44Å; A35-S89 PolarHBondContact N-OG 3.45Å; A35-S89 PolarHBondContact O-OG 2.73Å; L84-S89 WeakPolarHBondContact CD2-O 3.5Å; F87-S89 PolarHBondContact O-N 2.82Å; F87-S89 VanDerWaalsContact O-N 3.08Å; S89-W91 VanDerWaalsContact C-N 3.31Å; S89-W91 PolarHBondContact O-N 3.3Å; S89-W91 PolarHBondContact OG-O 3.23Å; S89-W91 VanDerWaalsContact OG-O 3.14Å | ||
| 90 | P | 95 | Very high | 97.5 | Very high | 54 Ų | 54 | 47 Ų | 47 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -78.4 | -14.9 | -177.7 | 28.7 | -32.8 | 0 | 0 | 0 | 113.6 | M1 A35 G115 N116 | M1-P90 HydrophobicContact CE-CB 4.39Å; M1-P90 HydrophobicContact CE-CG 3.24Å; M1-P90 HydrophobicContact SD-CG 4.13Å; A35-P90 HydrophobicContact CB-CG 3.95Å; P90-G115 CarbonylContact O-C 3.57Å; P90-G115 VanDerWaalsContact O-CA 3.25Å; P90-G115 WeakPolarHBondContact O-CA 3.46Å; P90-N116 PolarHBondContact O-N 3.41Å |
| 91 | W | 97.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 3% | 0.034 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 142.3 | -177 | 175.3 | 88.4 | 0 | 0 | 0 | 111.4 | I3 E33 A35 S89 R93 E113 R114 N117 | I3-W91 HydrophobicContact CD1-CE3 4.3Å; I3-W91 HydrophobicContact CD1-CZ3 3.78Å; E33-W91 HydrophobicContact CB-CH2 4.26Å; E33-W91 HydrophobicContact CB-CZ3 3.98Å; A35-W91 HydrophobicContact CB-CB 3.96Å; A35-W91 HydrophobicContact CB-CE3 4.22Å; A35-W91 PolarHBondContact N-O 3.24Å; S89-W91 VanDerWaalsContact C-N 3.31Å; S89-W91 PolarHBondContact O-N 3.3Å; S89-W91 PolarHBondContact OG-O 3.23Å; S89-W91 VanDerWaalsContact OG-O 3.14Å; W91-R93 HydrophobicContact CH2-CB 3.33Å; W91-R93 HydrophobicContact CH2-CG 4.34Å; W91-R93 HydrophobicContact CZ2-CB 3.47Å; W91-R93 VanDerWaalsContact CZ2-CB 3.47Å; W91-R93 HydrophobicContact CZ2-CG 4.41Å; W91-R93 HydrophobicContact CZ3-CB 4.03Å; W91-E113 HydrophobicContact CZ2-CG 4.19Å; W91-E113 WeakPolarHBondContact CZ2-OE2 3.34Å; W91-E113 PolarHBondContact NE1-OE2 2.88Å; W91-R114 WeakPolarHBondContact CA-O 3.48Å; W91-N117 HydrophobicContact CD2-CB 4.46Å; W91-N117 HydrophobicContact CG-CB 4.1Å |
| 92 | V | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.8 | 173.5 | 65.9 | 0 | 0 | 0 | 0 | 110 | I32 E33 M34 A80 L83 L84 I94 E113 R114 | I32-V92 HydrophobicContact CG2-CG2 4.31Å; E33-V92 CarbonylContact O-C 3.52Å; E33-V92 WeakPolarHBondContact O-CA 3.45Å; M34-V92 HydrophobicContact CG-CB 4.2Å; M34-V92 HydrophobicContact CG-CG2 3.72Å; A80-V92 HydrophobicContact CB-CG1 3.91Å; L83-V92 HydrophobicContact CD1-CG2 4.27Å; L84-V92 HydrophobicContact CD1-CG1 3.94Å; L84-V92 HydrophobicContact CD2-CB 4.11Å; L84-V92 HydrophobicContact CD2-CG1 3.87Å; L84-V92 HydrophobicContact CG-CB 4.41Å; L84-V92 HydrophobicContact CG-CG1 3.74Å; V92-I94 HydrophobicContact CG2-CD1 4.19Å; V92-I94 HydrophobicContact CG2-CG1 3.8Å; V92-E113 CarbonylContact O-C 3.5Å; V92-E113 VanDerWaalsContact O-CA 3.29Å; V92-E113 WeakPolarHBondContact O-CA 3.42Å; V92-R114 HydrophobicContact CG1-CB 4.05Å; V92-R114 PolarHBondContact N-O 3.16Å; V92-R114 PolarHBondContact O-N 2.7Å |
| 93 | R | 98.4 | Very high | 97.1 | Very high | 81 Ų | 81 | 49 Ų | 49 | 31% | 0.306 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.2 | 166.1 | 174 | 177.6 | 173.3 | 99 | -2 | 109.3 | E33 W91 I111 I112 E113 | E33-R93 HydrophobicContact CB-CB 4.27Å; E33-R93 PolarHBondContact N-O 2.73Å; E33-R93 PolarHBondContact O-N 2.86Å; W91-R93 HydrophobicContact CH2-CB 3.33Å; W91-R93 HydrophobicContact CH2-CG 4.34Å; W91-R93 HydrophobicContact CZ2-CB 3.47Å; W91-R93 VanDerWaalsContact CZ2-CB 3.47Å; W91-R93 HydrophobicContact CZ2-CG 4.41Å; W91-R93 HydrophobicContact CZ3-CB 4.03Å; R93-I111 HydrophobicContact CG-CG2 4.46Å; R93-I112 CarbonylContact C-O 3.5Å; R93-I112 VanDerWaalsContact CA-O 3.31Å; R93-I112 WeakPolarHBondContact CA-O 3.47Å; R93-E113 HydrophobicContact CB-CG 3.91Å; R93-E113 WeakPolarHBondContact CD-OE1 3.41Å; R93-E113 HydrophobicContact CG-CG 3.89Å; R93-E113 IonicContact CZ-OE1 3.53Å; R93-E113 IonicContact NE-OE1 3.36Å; R93-E113 IonicContact NH1-OE1 3.22Å; R93-E113 PolarHBondContact NH1-OE1 3.4Å |
| 94 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.3 | 179.9 | -54.5 | -176.5 | 0 | 0 | 0 | 108.4 | F30 D31 V79 A80 L83 V92 L96 I111 I112 | F30-I94 HydrophobicContact CD1-CG2 4.1Å; D31-I94 WeakPolarHBondContact O-CA 3.4Å; V79-I94 HydrophobicContact CB-CD1 4.14Å; V79-I94 HydrophobicContact CG1-CD1 3.68Å; A80-I94 HydrophobicContact CB-CD1 3.84Å; L83-I94 HydrophobicContact CD1-CD1 4.32Å; V92-I94 HydrophobicContact CG2-CD1 4.19Å; V92-I94 HydrophobicContact CG2-CG1 3.8Å; I94-L96 HydrophobicContact CG2-CB 4.33Å; I94-I111 CarbonylContact O-C 3.55Å; I94-I111 VanDerWaalsContact O-CA 3.3Å; I94-I111 WeakPolarHBondContact O-CA 3.38Å; I94-I112 HydrophobicContact CB-CG1 4.13Å; I94-I112 PolarHBondContact N-O 3.31Å; I94-I112 PolarHBondContact O-N 3.12Å |
| 95 | K | 98.9 | Very high | 97 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 38% | 0.378 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.2 | 161 | 170.8 | 179 | 167.7 | -154.7 | 0 | 107.8 | D31 V110 I111 | D31-K95 HydrophobicContact CB-CB 4.19Å; D31-K95 PolarHBondContact N-O 3.21Å; D31-K95 PolarHBondContact O-N 3.48Å; D31-K95 WeakPolarHBondContact OD2-CD 3.41Å; D31-K95 IonicContact OD2-NZ 3.97Å; K95-V110 WeakPolarHBondContact CA-O 3.39Å; K95-I111 HydrophobicContact CB-CD1 4.48Å; K95-I111 HydrophobicContact CB-CG1 3.94Å; K95-I111 HydrophobicContact CD-CD1 4.19Å; K95-I111 HydrophobicContact CD-CG1 4.36Å; K95-I111 HydrophobicContact CG-CD1 4.25Å; K95-I111 HydrophobicContact CG-CG1 3.87Å |
| 96 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 116.2 | 176.9 | 176.3 | 54.9 | 0 | 0 | 0 | 109.6 | L28 F30 V72 V75 A76 I94 G109 V110 | L28-L96 HydrophobicContact CB-CD1 3.84Å; L28-L96 HydrophobicContact CD1-CD1 4.23Å; L28-L96 HydrophobicContact CD1-CD2 4.45Å; L28-L96 HydrophobicContact CD2-CD1 4.29Å; L28-L96 HydrophobicContact CG-CD1 4.34Å; F30-L96 HydrophobicContact CD1-CD1 3.71Å; F30-L96 HydrophobicContact CD2-CD1 3.96Å; F30-L96 HydrophobicContact CE1-CD1 3.46Å; F30-L96 VanDerWaalsContact CE1-CD1 3.46Å; F30-L96 HydrophobicContact CE1-CD2 4.04Å; F30-L96 HydrophobicContact CE1-CG 4.22Å; F30-L96 HydrophobicContact CE2-CD1 3.71Å; F30-L96 HydrophobicContact CG-CD1 3.94Å; F30-L96 HydrophobicContact CZ-CD1 3.45Å; F30-L96 VanDerWaalsContact CZ-CD1 3.45Å; F30-L96 HydrophobicContact CZ-CD2 4.28Å; F30-L96 HydrophobicContact CZ-CG 4.48Å; V72-L96 HydrophobicContact CB-CD2 4.01Å; V72-L96 HydrophobicContact CB-CG 4.4Å; V72-L96 VanDerWaalsContact O-CD2 3.3Å; V72-L96 WeakPolarHBondContact O-CD2 3.4Å; V75-L96 HydrophobicContact CB-CD2 3.65Å; V75-L96 HydrophobicContact CG1-CD2 3.64Å; A76-L96 HydrophobicContact CB-CB 4.33Å; A76-L96 HydrophobicContact CB-CD2 4.09Å; I94-L96 HydrophobicContact CG2-CB 4.33Å; L96-G109 CarbonylContact O-C 3.55Å; L96-G109 WeakPolarHBondContact O-CA 3.23Å; L96-V110 HydrophobicContact CB-CG2 4.22Å; L96-V110 PolarHBondContact N-O 3.4Å; L96-V110 PolarHBondContact O-N 2.95Å |
| 97 | S | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 141.8 | -178 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | L28 V29 P99 N107 V108 | L28-S97 WeakPolarHBondContact CA-O 3.5Å; V29-S97 PolarHBondContact N-O 2.78Å; V29-S97 PolarHBondContact O-N 2.91Å; S97-P99 WeakPolarHBondContact O-CD 3.19Å; S97-N107 WeakPolarHBondContact CB-ND2 3.44Å; S97-N107 WeakPolarHBondContact CB-OD1 3.3Å; S97-V108 CarbonylContact C-O 3.56Å; S97-V108 WeakPolarHBondContact CA-O 3.31Å |
| 98 | K | 98.2 | Very high | 97 | Very high | 20 Ų | 20 | 59.8 Ų | 59.8 | 9% | 0.087 | 36% | 0.357 | C | S | . | . | trans | -117.8 | 83.7 | 173.4 | -173.5 | -179.7 | 170.9 | 178.2 | 0 | 109.5 | I15 E21 L28 V72 A101 V108 | I15-K98 HydrophobicContact CG1-CD 4.18Å; I15-K98 HydrophobicContact CG2-CD 4.43Å; I15-K98 PolarHBondContact O-NZ 3.03Å; E21-K98 IonicContact OE1-NZ 2.69Å; E21-K98 PolarHBondContact OE1-NZ 2.63Å; L28-K98 HydrophobicContact CD2-CB 3.88Å; L28-K98 HydrophobicContact CD2-CG 4.01Å; V72-K98 HydrophobicContact CG1-CB 4.03Å; V72-K98 HydrophobicContact CG1-CD 4.06Å; K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 3.88Å; K98-A101 HydrophobicContact CG-CB 3.91Å; K98-A101 WeakPolarHBondContact O-CB 3.11Å; K98-A101 PolarHBondContact O-N 2.88Å; K98-V108 PolarHBondContact N-O 2.9Å | ||
| 99 | P | 97.5 | Very high | 97.3 | Very high | 43 Ų | 43 | 55 Ų | 55 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 141.4 | 179.1 | -25.4 | 34.6 | 0 | 0 | 0 | 112.3 | K27 V29 S97 A101 N107 | K27-P99 WeakPolarHBondContact O-CD 3.11Å; V29-P99 HydrophobicContact CG2-CG 3.83Å; S97-P99 WeakPolarHBondContact O-CD 3.19Å; P99-A101 PolarHBondContact O-N 2.69Å; P99-N107 WeakPolarHBondContact CA-OD1 3.2Å |
| 100 | G | 95.7 | Very high | 97.5 | Very high | 66 Ų | 66 | 56 Ų | 56 | 68% | 0.68 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -6.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V102 | G100-V102 VanDerWaalsContact C-N 3.26Å; G100-V102 PolarHBondContact O-N 2.86Å |
| 101 | A | 96.1 | Very high | 97.7 | Very high | 47 Ų | 47 | 57.9 Ų | 57.9 | 39% | 0.388 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -63.9 | -29.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | K98 P99 V108 | K98-A101 HydrophobicContact CB-CB 4.35Å; K98-A101 HydrophobicContact CD-CB 3.88Å; K98-A101 HydrophobicContact CG-CB 3.91Å; K98-A101 WeakPolarHBondContact O-CB 3.11Å; K98-A101 PolarHBondContact O-N 2.88Å; P99-A101 PolarHBondContact O-N 2.69Å; A101-V108 HydrophobicContact CB-CG2 3.61Å |
| 102 | V | 97 | Very high | 97.7 | Very high | 76 Ų | 76 | 58.6 Ų | 58.6 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -125.6 | 110.7 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | G100 R104 A105 V108 | G100-V102 VanDerWaalsContact C-N 3.26Å; G100-V102 PolarHBondContact O-N 2.86Å; V102-R104 PolarHBondContact O-N 3.3Å; V102-A105 HydrophobicContact CB-CB 4.13Å; V102-A105 HydrophobicContact CG1-CB 4.06Å; V102-A105 PolarHBondContact O-N 2.7Å; V102-V108 HydrophobicContact CB-CG1 3.91Å; V102-V108 HydrophobicContact CG2-CG1 3.78Å; V102-V108 HydrophobicContact CG2-CG2 4.35Å |
| 103 | A | 94.6 | Very high | 97.7 | Very high | 105 Ų | 105 | 61.5 Ų | 61.5 | 87% | 0.868 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 104 | R | 97.2 | Very high | 97.7 | Very high | 249 Ų | 249 | 61.7 Ų | 61.7 | 94% | 0.94 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 3.5 | -179 | -64.3 | -175.3 | -179.7 | 175.6 | 0.4 | 114 | V102 | V102-R104 PolarHBondContact O-N 3.3Š|
| 105 | A | 97.9 | Very high | 97.5 | Very high | 40 Ų | 40 | 64 Ų | 64 | 33% | 0.331 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -109.1 | 143.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V102 N107 V108 | V102-A105 HydrophobicContact CB-CB 4.13Å; V102-A105 HydrophobicContact CG1-CB 4.06Å; V102-A105 PolarHBondContact O-N 2.7Å; A105-N107 PolarHBondContact O-N 3.1Å; A105-V108 HydrophobicContact CB-CG1 4.04Å |
| 106 | A | 96.6 | Very high | 97 | Very high | 109 Ų | 109 | 65.2 Ų | 65.2 | 90% | 0.901 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -62.2 | -37 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 107 | N | 96.6 | Very high | 96 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 34% | 0.337 | 41% | 0.414 | S | S | . | . | trans | -159.9 | 162.2 | 173.7 | -140.3 | -23.9 | 0 | 0 | 0 | 111.5 | S97 P99 A105 | S97-N107 WeakPolarHBondContact CB-ND2 3.44Å; S97-N107 WeakPolarHBondContact CB-OD1 3.3Å; P99-N107 WeakPolarHBondContact CA-OD1 3.2Å; A105-N107 PolarHBondContact O-N 3.1Å | ||
| 108 | V | 98.2 | Very high | 94.6 | Very high | 50 Ų | 50 | 70.7 Ų | 70.7 | 30% | 0.303 | 44% | 0.435 | S | S | . | . | trans | -139.8 | 161.1 | 169.8 | -63.7 | 0 | 0 | 0 | 0 | 109.1 | S97 K98 A101 V102 A105 | S97-V108 CarbonylContact C-O 3.56Å; S97-V108 WeakPolarHBondContact CA-O 3.31Å; K98-V108 PolarHBondContact N-O 2.9Å; A101-V108 HydrophobicContact CB-CG2 3.61Å; V102-V108 HydrophobicContact CB-CG1 3.91Å; V102-V108 HydrophobicContact CG2-CG1 3.78Å; V102-V108 HydrophobicContact CG2-CG2 4.35Å; A105-V108 HydrophobicContact CB-CG1 4.04Å | ||
| 109 | G | 98.5 | Very high | 93 | Very high | 45 Ų | 45 | 75.6 Ų | 75.6 | 46% | 0.464 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.8 | -164.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L96 | L96-G109 CarbonylContact O-C 3.55Å; L96-G109 WeakPolarHBondContact O-CA 3.23Å |
| 110 | V | 98.8 | Very high | 91.2 | Very high | 27 Ų | 27 | 80.5 Ų | 80.5 | 16% | 0.164 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.1 | 178.1 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | V72 E73 A76 K95 L96 | V72-V110 HydrophobicContact CG2-CG1 4.08Å; V72-V110 HydrophobicContact CG2-CG2 4.28Å; E73-V110 HydrophobicContact CG-CG1 4.04Å; A76-V110 HydrophobicContact CB-CG2 3.76Å; K95-V110 WeakPolarHBondContact CA-O 3.39Å; L96-V110 HydrophobicContact CB-CG2 4.22Å; L96-V110 PolarHBondContact N-O 3.4Å; L96-V110 PolarHBondContact O-N 2.95Å |
| 111 | I | 98.9 | Very high | 89.1 | Confident | 94 Ų | 94 | 83 Ų | 83 | 48% | 0.482 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.9 | 170.2 | -55.2 | 178.7 | 0 | 0 | 0 | 106.5 | R93 I94 K95 | R93-I111 HydrophobicContact CG-CG2 4.46Å; I94-I111 CarbonylContact O-C 3.55Å; I94-I111 VanDerWaalsContact O-CA 3.3Å; I94-I111 WeakPolarHBondContact O-CA 3.38Å; K95-I111 HydrophobicContact CB-CD1 4.48Å; K95-I111 HydrophobicContact CB-CG1 3.94Å; K95-I111 HydrophobicContact CD-CD1 4.19Å; K95-I111 HydrophobicContact CD-CG1 4.36Å; K95-I111 HydrophobicContact CG-CD1 4.25Å; K95-I111 HydrophobicContact CG-CG1 3.87Å |
| 112 | I | 98.7 | Very high | 86.7 | Confident | 23 Ų | 23 | 90.5 Ų | 90.5 | 12% | 0.118 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.4 | 178.9 | 66.5 | 166.4 | 0 | 0 | 0 | 110.8 | A76 A80 R93 I94 R114 | A76-I112 VanDerWaalsContact C-CD1 3.49Å; A76-I112 HydrophobicContact CB-CD1 3.72Å; A76-I112 HydrophobicContact CB-CG1 4.17Å; A76-I112 WeakPolarHBondContact O-CD1 3.43Å; A80-I112 HydrophobicContact CB-CD1 3.85Å; R93-I112 CarbonylContact C-O 3.5Å; R93-I112 VanDerWaalsContact CA-O 3.31Å; R93-I112 WeakPolarHBondContact CA-O 3.47Å; I94-I112 HydrophobicContact CB-CG1 4.13Å; I94-I112 PolarHBondContact N-O 3.31Å; I94-I112 PolarHBondContact O-N 3.12Å; I112-R114 HydrophobicContact CD1-CG 4.45Å |
| 113 | E | 98 | Very high | 86.1 | Confident | 63 Ų | 63 | 91.3 Ų | 91.3 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134 | 169.7 | -62.3 | -166.7 | -168.4 | 0 | 0 | 109.7 | W91 V92 R93 | W91-E113 HydrophobicContact CZ2-CG 4.19Å; W91-E113 WeakPolarHBondContact CZ2-OE2 3.34Å; W91-E113 PolarHBondContact NE1-OE2 2.88Å; V92-E113 CarbonylContact O-C 3.5Å; V92-E113 VanDerWaalsContact O-CA 3.29Å; V92-E113 WeakPolarHBondContact O-CA 3.42Å; R93-E113 HydrophobicContact CB-CG 3.91Å; R93-E113 WeakPolarHBondContact CD-OE1 3.41Å; R93-E113 HydrophobicContact CG-CG 3.89Å; R93-E113 IonicContact CZ-OE1 3.53Å; R93-E113 IonicContact NE-OE1 3.36Å; R93-E113 IonicContact NH1-OE1 3.22Å; R93-E113 PolarHBondContact NH1-OE1 3.4Å |
| 114 | R | 97.8 | Very high | 85.7 | Confident | 84 Ų | 84 | 90.5 Ų | 90.5 | 32% | 0.317 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 148.3 | 178.1 | -61 | -66.9 | 174 | -94.8 | 2.7 | 109.5 | E77 A80 L84 W91 V92 I112 | E77-R114 IonicContact OE1-CZ 2.76Å; E77-R114 IonicContact OE1-NE 2.7Å; E77-R114 IonicContact OE1-NH2 3.5Å; E77-R114 PolarHBondContact OE1-NH2 3.19Å; E77-R114 IonicContact OE2-CZ 3.95Å; E77-R114 IonicContact OE2-NE 3.67Å; E77-R114 PolarHBondContact OE2-NE 3.13Å; E77-R114 IonicContact OE2-NH2 2.63Å; E77-R114 PolarHBondContact OE2-NH2 3.48Å; A80-R114 HydrophobicContact CB-CB 4.36Å; A80-R114 HydrophobicContact CB-CG 3.88Å; L84-R114 HydrophobicContact CD1-CB 3.68Å; W91-R114 WeakPolarHBondContact CA-O 3.48Å; V92-R114 HydrophobicContact CG1-CB 4.05Å; V92-R114 PolarHBondContact N-O 3.16Å; V92-R114 PolarHBondContact O-N 2.7Å; I112-R114 HydrophobicContact CD1-CG 4.45Å |
| 115 | G | 95 | Very high | 85.1 | Confident | 49 Ų | 49 | 81.7 Ų | 81.7 | 51% | 0.505 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.7 | -169 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | P90 | P90-G115 CarbonylContact O-C 3.57Å; P90-G115 VanDerWaalsContact O-CA 3.25Å; P90-G115 WeakPolarHBondContact O-CA 3.46Å |
| 116 | N | 87.8 | Confident | 84.3 | Confident | 112 Ų | 112 | 84.2 Ų | 84.2 | 60% | 0.599 | 47% | 0.474 | S | S | * | . | trans | -101 | 104.1 | -173.6 | -71.9 | -7.7 | 0 | 0 | 0 | 110.8 | P90 L118 | P90-N116 PolarHBondContact O-N 3.41Å; N116-L118 PolarHBondContact O-N 3.02Å | ||
| 117 | N | 77.5 | Confident | 83.5 | Confident | 29 Ų | 29 | 82.6 Ų | 82.6 | 16% | 0.155 | 45% | 0.447 | C | S | . | . | trans | -70.4 | 103.3 | 170.8 | -165.3 | -22.6 | 0 | 0 | 0 | 110 | W91 K119 E120 | W91-N117 HydrophobicContact CD2-CB 4.46Å; W91-N117 HydrophobicContact CG-CB 4.1Å; N117-K119 PolarHBondContact O-N 3.32Å; N117-K119 VanDerWaalsContact O-N 3.17Å; N117-K119 WeakPolarHBondContact OD1-CB 3.49Å; N117-K119 PolarHBondContact OD1-N 3.34Å; N117-E120 PolarHBondContact O-N 2.83Å | ||
| 118 | L | 70.6 | Confident | 82.7 | Confident | 90 Ų | 90 | 83.9 Ų | 83.9 | 47% | 0.471 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -8.6 | -179.5 | -64.3 | -178.6 | 0 | 0 | 0 | 113.7 | M1 N116 | M1-L118 HydrophobicContact CE-CD1 3.46Å; M1-L118 VanDerWaalsContact CE-CD1 3.46Å; M1-L118 HydrophobicContact CE-CG 4.1Å; M1-L118 HydrophobicContact SD-CB 4.02Å; M1-L118 HydrophobicContact SD-CD1 4.07Å; M1-L118 HydrophobicContact SD-CG 4.12Å; N116-L118 PolarHBondContact O-N 3.02Å |
| 119 | K | 65.2 | Low | 81.6 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 54% | 0.539 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -29.2 | 176.1 | -67.4 | -173.8 | 179.9 | 174.6 | 0 | 113.3 | M1 N117 | M1-K119 WeakPolarHBondContact O-CE 3.42Å; N117-K119 PolarHBondContact O-N 3.32Å; N117-K119 VanDerWaalsContact O-N 3.17Å; N117-K119 WeakPolarHBondContact OD1-CB 3.49Å; N117-K119 PolarHBondContact OD1-N 3.34Å |
| 120 | E | 58.4 | Low | 80.3 | Confident | 145 Ų | 145 | 89.5 Ų | 89.5 | 68% | 0.678 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -11.3 | -177.9 | -65.2 | -166.7 | 156.8 | 0 | 0 | 113.5 | N117 | N117-E120 PolarHBondContact O-N 2.83Š|
| 121 | N | 52.1 | Low | 78.7 | Confident | 119 Ų | 119 | 94.8 Ų | 94.8 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 17.2 | -179 | -73 | -12 | 0 | 0 | 0 | 114.6 | ||
| 122 | N | 44.6 | Very low | 76.9 | Confident | 205 Ų | 205 | 94.8 Ų | 94.8 | 100% | 1.096 | 49% | 0.492 | S | S | * | . | trans | -130.3 | 0 | 171.7 | -68.5 | -59.3 | 0 | 0 | 0 | 110.6 |
Retrieved 122 of 122 residues in 39.2 ms
(Link to these results)