| 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 | 67.7 | Low | 92.7 | Very high | 154 Ų | 154 | 23.3 Ų | 23.3 | 76% | 0.759 | 12% | 0.121 | S | C | * | . | 0 | 134 | 0 | -173 | 175 | -81.1 | 0 | 0 | 105.8 | G66 | M1-G66 WeakPolarHBondContact CE-O 3.42Å; M1-G66 WeakPolarHBondContact CG-O 3.39Å | |||
| 2 | A | 82.8 | Confident | 93 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | trans | -69.8 | 132.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | G68 A219 | A2-G68 PolarHBondContact O-N 3.11Å; A2-A219 HydrophobicContact CB-CB 3.98Å; A2-A219 WeakPolarHBondContact CB-O 3.35Å | ||
| 3 | E | 91.7 | Very high | 93.2 | Very high | 50 Ų | 50 | 26.1 Ų | 26.1 | 23% | 0.234 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.7 | 177.4 | -65.5 | -65.6 | 148.1 | 0 | 0 | 109.5 | N70 V102 V106 | E3-N70 PolarHBondContact OE2-ND2 3.49Å; E3-V102 HydrophobicContact CG-CG1 4.31Å; E3-V106 PolarHBondContact O-N 2.72Å |
| 4 | V | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.6 | 176.6 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | V56 A67 G68 V69 N70 V106 L108 A219 | V4-V56 HydrophobicContact CB-CG1 4.35Å; V4-V56 HydrophobicContact CG1-CG1 4.26Å; V4-V56 HydrophobicContact CG2-CG1 3.99Å; V4-A67 HydrophobicContact CG2-CB 4.48Å; V4-G68 PolarHBondContact N-O 3.08Å; V4-V69 HydrophobicContact CB-CG2 4.3Å; V4-V69 CarbonylContact O-C 3.54Å; V4-V69 VanDerWaalsContact O-CA 3.23Å; V4-V69 WeakPolarHBondContact O-CA 3.49Å; V4-N70 PolarHBondContact O-N 3.03Å; V4-V106 CarbonylContact C-O 3.54Å; V4-V106 WeakPolarHBondContact CA-O 3.31Å; V4-V106 HydrophobicContact CG1-CB 4.3Å; V4-V106 HydrophobicContact CG1-CG1 4.29Å; V4-V106 HydrophobicContact CG2-CB 4.18Å; V4-L108 HydrophobicContact CG1-CB 4.3Å; V4-A219 HydrophobicContact CG2-CB 4Å |
| 5 | Y | 98.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.039 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 118.3 | 168.9 | -69.4 | -91.1 | 0 | 0 | 0 | 109.3 | N70 V72 I93 T96 L97 A105 V106 L108 | Y5-N70 CarbonylContact C-O 3.47Å; Y5-N70 WeakPolarHBondContact CA-O 3.27Å; Y5-N70 HydrophobicContact CD1-CB 3.58Å; Y5-N70 HydrophobicContact CE1-CB 3.7Å; Y5-N70 HydrophobicContact CG-CB 4.25Å; Y5-V72 HydrophobicContact CD1-CG2 4.06Å; Y5-I93 HydrophobicContact CD1-CB 4.48Å; Y5-I93 HydrophobicContact CD1-CD1 4.19Å; Y5-I93 HydrophobicContact CD1-CG1 3.7Å; Y5-I93 HydrophobicContact CD1-CG2 4.21Å; Y5-I93 HydrophobicContact CD2-CG2 3.96Å; Y5-I93 HydrophobicContact CE1-CG1 4.27Å; Y5-I93 HydrophobicContact CE1-CG2 4.37Å; Y5-I93 HydrophobicContact CE2-CG2 4.14Å; Y5-I93 HydrophobicContact CG-CD1 4.05Å; Y5-I93 HydrophobicContact CG-CG1 3.97Å; Y5-I93 HydrophobicContact CG-CG2 3.99Å; Y5-T96 WeakPolarHBondContact OH-CG2 2.99Å; Y5-L97 HydrophobicContact CE2-CD2 3.97Å; Y5-A105 HydrophobicContact CD2-CB 4.47Å; Y5-A105 HydrophobicContact CE2-CB 4.3Å; Y5-V106 PolarHBondContact N-O 3.1Å; Y5-L108 PolarHBondContact O-N 3.19Å |
| 6 | L | 98.8 | Very high | 94 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.9 | 175.7 | 173.1 | 59.7 | 0 | 0 | 0 | 108.8 | D8 V11 L52 A53 V69 N70 L71 V72 L108 P110 | L6-D8 HydrophobicContact CD1-CB 3.91Å; L6-D8 HydrophobicContact CD2-CB 4.46Å; L6-D8 HydrophobicContact CG-CB 3.93Å; L6-V11 HydrophobicContact CD2-CG2 4.23Å; L6-L52 HydrophobicContact CD1-CD1 4.48Å; L6-A53 HydrophobicContact CD2-CB 4.17Å; L6-V69 HydrophobicContact CB-CG1 3.79Å; L6-V69 HydrophobicContact CD2-CG1 4.32Å; L6-N70 PolarHBondContact N-O 3.42Å; L6-L71 HydrophobicContact CB-CD1 4.35Å; L6-L71 HydrophobicContact CD2-CD1 4.06Å; L6-L71 HydrophobicContact CG-CD1 4Å; L6-V72 PolarHBondContact O-N 3.42Å; L6-L108 HydrophobicContact CD1-CB 4.5Å; L6-L108 HydrophobicContact CD1-CD2 3.93Å; L6-L108 HydrophobicContact CD1-CG 4.12Å; L6-P110 HydrophobicContact CD1-CG 3.87Å |
| 7 | M | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 91.8 | 175.5 | -69.5 | -177.4 | 61 | 0 | 0 | 110.6 | V72 V74 A86 L90 I93 V107 L108 L109 P110 F111 | M7-V72 WeakPolarHBondContact CA-O 3.47Å; M7-V72 HydrophobicContact CG-CB 3.96Å; M7-V72 HydrophobicContact CG-CG1 4.12Å; M7-V74 HydrophobicContact CB-CG2 3.94Å; M7-V74 HydrophobicContact CE-CG1 3.85Å; M7-V74 HydrophobicContact CE-CG2 4.36Å; M7-A86 HydrophobicContact CE-CB 4.42Å; M7-A86 WeakPolarHBondContact CE-O 3.43Å; M7-L90 HydrophobicContact CE-CG 4.22Å; M7-L90 HydrophobicContact SD-CD2 3.83Å; M7-L90 HydrophobicContact SD-CG 4.1Å; M7-I93 HydrophobicContact CG-CD1 3.91Å; M7-I93 HydrophobicContact SD-CD1 3.63Å; M7-V107 HydrophobicContact SD-CG1 4.14Å; M7-L108 PolarHBondContact N-O 3.05Å; M7-L108 VanDerWaalsContact N-O 3.09Å; M7-L109 HydrophobicContact CB-CD2 3.84Å; M7-L109 HydrophobicContact CE-CD2 4.2Å; M7-L109 HydrophobicContact CG-CD2 3.92Å; M7-L109 HydrophobicContact SD-CD2 3.27Å; M7-L109 WeakPolarHBondContact SD-CD2 3.47Å; M7-P110 WeakPolarHBondContact O-CD 3.19Å; M7-F111 HydrophobicContact CB-CE1 3.8Å; M7-F111 HydrophobicContact CE-CZ 4.4Å; M7-F111 VanDerWaalsContact O-CD1 3.29Å; M7-F111 WeakPolarHBondContact O-CD1 3.45Å; M7-F111 WeakPolarHBondContact O-CE1 3.33Å |
| 8 | D | 98 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | -155.3 | -172.2 | -158.6 | -102.6 | 0 | 0 | 0 | 112.7 | L6 H48 G49 V72 R73 V74 L75 P110 | L6-D8 HydrophobicContact CD1-CB 3.91Å; L6-D8 HydrophobicContact CD2-CB 4.46Å; L6-D8 HydrophobicContact CG-CB 3.93Å; D8-H48 IonicContact OD1-CG 2.77Å; D8-H48 IonicContact OD1-ND1 3.56Å; D8-H48 PolarHBondContact OD1-ND1 3.34Å; D8-H48 IonicContact OD2-CE1 3.57Å; D8-H48 PolarHBondContact OD2-CE1 2.63Å; D8-H48 IonicContact OD2-ND1 3.43Å; D8-H48 PolarHBondContact OD2-ND1 3.16Å; D8-G49 WeakPolarHBondContact OD1-CA 3.43Å; D8-G49 PolarHBondContact OD1-N 3.09Å; D8-V72 PolarHBondContact N-O 3.3Å; D8-R73 CarbonylContact O-C 3.59Å; D8-R73 WeakPolarHBondContact O-CA 3.42Å; D8-V74 PolarHBondContact O-N 3.2Å; D8-L75 PolarHBondContact O-N 3.12Å; D8-L75 WeakPolarHBondContact OD2-CD1 3.34Å; D8-P110 HydrophobicContact CB-CG 4.28Å; D8-P110 WeakPolarHBondContact OD2-CG 3.48Å |
| 9 | G | 95.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -79.9 | -148.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 L75 | G9-L71 WeakPolarHBondContact O-CD1 3.41Å; G9-L75 WeakPolarHBondContact CA-O 3.3Å |
| 10 | S | 94.9 | Very high | 94.6 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | trans | -78 | 163.2 | 178.1 | -29.5 | 0 | 0 | 0 | 0 | 111.1 | C45 D46 R73 | S10-C45 VanDerWaalsContact CB-O 3.28Å; S10-C45 WeakPolarHBondContact CB-O 3.44Å; S10-C45 PolarHBondContact N-O 3.26Å; S10-C45 VanDerWaalsContact N-O 3.17Å; S10-C45 PolarHBondContact OG-O 3.11Å; S10-D46 VanDerWaalsContact O-CA 3.31Å; S10-D46 WeakPolarHBondContact O-CA 3.3Å; S10-R73 PolarHBondContact OG-NH1 2.95Å; S10-R73 PolarHBondContact OG-NH2 2.82Å | ||
| 11 | V | 96.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | trans | -130.1 | 136.8 | 170 | 176.2 | 0 | 0 | 0 | 0 | 109 | L6 S13 V22 A53 L71 | L6-V11 HydrophobicContact CD2-CG2 4.23Å; V11-S13 VanDerWaalsContact C-N 3.31Å; V11-S13 PolarHBondContact O-N 2.87Å; V11-V22 HydrophobicContact CB-CG1 4.33Å; V11-V22 HydrophobicContact CG1-CG1 3.96Å; V11-V22 HydrophobicContact CG1-CG2 4.4Å; V11-A53 HydrophobicContact CG1-CB 4.21Å; V11-A53 HydrophobicContact CG2-CB 4.5Å; V11-L71 HydrophobicContact CB-CD2 3.9Å; V11-L71 HydrophobicContact CG2-CD1 3.65Å; V11-L71 HydrophobicContact CG2-CD2 3.65Å; V11-L71 HydrophobicContact CG2-CG 4.15Å | ||
| 12 | Q | 96.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 19% | 0.192 | 18% | 0.182 | C | C | . | . | trans | -77 | 82.4 | 167.3 | -172 | -179.5 | 68.4 | 0 | 0 | 109.1 | S14 H15 T50 S195 | Q12-S14 PolarHBondContact O-N 3.35Å; Q12-S14 VanDerWaalsContact O-N 3.11Å; Q12-H15 HydrophobicContact CG-CB 4.39Å; Q12-H15 VanDerWaalsContact O-CB 3.29Å; Q12-H15 WeakPolarHBondContact O-CB 3.46Å; Q12-H15 PolarHBondContact O-N 2.95Å; Q12-T50 HydrophobicContact CB-CG2 4.1Å; Q12-T50 PolarHBondContact N-OG1 2.95Å; Q12-S195 PolarHBondContact NE2-O 2.92Å; Q12-S195 VanDerWaalsContact NE2-O 3.08Å | ||
| 13 | S | 96.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 36.8 Ų | 36.8 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -14.1 | -175.5 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | V11 H15 E19 | V11-S13 VanDerWaalsContact C-N 3.31Å; V11-S13 PolarHBondContact O-N 2.87Å; S13-H15 VanDerWaalsContact C-N 3.34Å; S13-E19 WeakPolarHBondContact O-CA 3.26Å |
| 14 | S | 96.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 49% | 0.49 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.9 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 113.9 | Q12 | Q12-S14 PolarHBondContact O-N 3.35Å; Q12-S14 VanDerWaalsContact O-N 3.11Å |
| 15 | H | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -67.4 | 133.5 | 175.7 | -171.8 | -76.3 | 0 | 0 | 0 | 110.2 | Q12 S13 E17 V18 E19 T50 S194 C197 S198 C200 | Q12-H15 HydrophobicContact CG-CB 4.39Å; Q12-H15 VanDerWaalsContact O-CB 3.29Å; Q12-H15 WeakPolarHBondContact O-CB 3.46Å; Q12-H15 PolarHBondContact O-N 2.95Å; S13-H15 VanDerWaalsContact C-N 3.34Å; H15-E17 WeakPolarHBondContact ND1-CB 3.2Å; H15-E17 PolarHBondContact ND1-N 3.37Å; H15-E17 VanDerWaalsContact ND1-N 3.16Å; H15-E17 PolarHBondContact O-N 2.79Å; H15-V18 HydrophobicContact CB-CG2 4.19Å; H15-V18 PolarHBondContact O-N 3.04Å; H15-E19 PolarHBondContact O-N 3.42Å; H15-T50 HydrophobicContact CB-CG2 4.38Å; H15-S194 PolarHBondContact CD2-O 2.61Å; H15-S194 PolarHBondContact NE2-O 3.07Å; H15-C197 PolarHBondContact CD2-O 2.7Å; H15-C197 PolarHBondContact NE2-O 2.84Å; H15-S198 VanDerWaalsContact CD2-C 3.46Å; H15-C200 PolarHBondContact NE2-N 2.92Å; H15-C200 PolarHBondContact NE2-O 3.41Å |
| 16 | R | 98.1 | Very high | 96.7 | Very high | 145 Ų | 145 | 46.2 Ų | 46.2 | 55% | 0.547 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -33.3 | -174.4 | 178.8 | -176.9 | 169.4 | -145.1 | -12.5 | 113.7 | V18 S59 D60 S198 T199 | R16-V18 PolarHBondContact O-N 3.47Å; R16-S59 PolarHBondContact O-OG 3.44Å; R16-D60 IonicContact NH2-OD2 3.65Å; R16-S198 VanDerWaalsContact CB-O 3.28Å; R16-S198 WeakPolarHBondContact CB-O 3.24Å; R16-S198 PolarHBondContact N-O 3.18Å; R16-T199 HydrophobicContact CB-CG2 4.24Å |
| 17 | E | 98.1 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.9 | 176.5 | -81.2 | -69.6 | 84.8 | 0 | 0 | 113.2 | H15 R21 G58 S59 D60 S61 A193 F201 | H15-E17 WeakPolarHBondContact ND1-CB 3.2Å; H15-E17 PolarHBondContact ND1-N 3.37Å; H15-E17 VanDerWaalsContact ND1-N 3.16Å; H15-E17 PolarHBondContact O-N 2.79Å; E17-R21 VanDerWaalsContact O-CZ 3.26Å; E17-R21 PolarHBondContact O-NH1 2.83Å; E17-R21 PolarHBondContact O-NH2 2.95Å; E17-G58 CarbonylContact O-C 3.6Å; E17-G58 VanDerWaalsContact O-CA 3.26Å; E17-G58 WeakPolarHBondContact O-CA 3.49Å; E17-G58 WeakPolarHBondContact OE2-CA 3.4Å; E17-S59 PolarHBondContact O-N 3.45Å; E17-S59 PolarHBondContact O-OG 3.43Å; E17-S59 WeakPolarHBondContact OE1-CB 3.25Å; E17-S59 PolarHBondContact OE1-N 2.91Å; E17-D60 WeakPolarHBondContact OE1-CB 3.15Å; E17-D60 PolarHBondContact OE1-N 3.02Å; E17-D60 PolarHBondContact OE2-N 3.11Å; E17-S61 WeakPolarHBondContact OE2-CB 3.35Å; E17-S61 PolarHBondContact OE2-N 2.94Å; E17-S61 PolarHBondContact OE2-OG 2.86Å; E17-A193 HydrophobicContact CB-CB 4.01Å; E17-A193 HydrophobicContact CG-CB 4.15Å; E17-F201 HydrophobicContact CG-CE1 3.8Å; E17-F201 HydrophobicContact CG-CZ 3.74Å |
| 18 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -2.6 | -167.7 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | H15 R16 G20 R21 V22 A53 T57 | H15-V18 HydrophobicContact CB-CG2 4.19Å; H15-V18 PolarHBondContact O-N 3.04Å; R16-V18 PolarHBondContact O-N 3.47Å; V18-G20 PolarHBondContact O-N 3.48Å; V18-R21 PolarHBondContact O-N 3.32Å; V18-V22 HydrophobicContact CB-CG2 3.65Å; V18-V22 HydrophobicContact CG1-CG2 4.28Å; V18-V22 HydrophobicContact CG2-CG2 4Å; V18-V22 PolarHBondContact O-N 3.44Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V18-A53 HydrophobicContact CG1-CB 4.16Å; V18-T57 HydrophobicContact CG1-CG2 4.16Å |
| 19 | E | 96.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 55.5 Ų | 55.5 | 58% | 0.584 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 130 | 178.5 | -173.5 | 178 | -157.4 | 0 | 0 | 111.2 | S13 H15 R21 | S13-E19 WeakPolarHBondContact O-CA 3.26Å; H15-E19 PolarHBondContact O-N 3.42Å; E19-R21 PolarHBondContact O-N 3.29Å |
| 20 | G | 95.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 85% | 0.845 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | -3.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V18 | V18-G20 PolarHBondContact O-N 3.48Š|
| 21 | R | 95.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | -18.4 | 178 | -79 | 178.9 | -86.2 | 100.8 | 6.9 | 114.1 | E17 V18 E19 T57 S59 R65 V69 | E17-R21 VanDerWaalsContact O-CZ 3.26Å; E17-R21 PolarHBondContact O-NH1 2.83Å; E17-R21 PolarHBondContact O-NH2 2.95Å; V18-R21 PolarHBondContact O-N 3.32Å; E19-R21 PolarHBondContact O-N 3.29Å; R21-T57 HydrophobicContact CB-CG2 4.36Å; R21-T57 PolarHBondContact NH1-O 3.02Å; R21-T57 PolarHBondContact NH1-OG1 3.17Å; R21-S59 PolarHBondContact NH2-OG 3.42Å; R21-R65 WeakPolarHBondContact CD-O 3.24Å; R21-V69 PolarHBondContact O-N 2.98Å |
| 22 | V | 97.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 66.1 Ų | 66.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.8 | 172.1 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | V11 V18 A53 V69 | V11-V22 HydrophobicContact CB-CG1 4.33Å; V11-V22 HydrophobicContact CG1-CG1 3.96Å; V11-V22 HydrophobicContact CG1-CG2 4.4Å; V18-V22 HydrophobicContact CB-CG2 3.65Å; V18-V22 HydrophobicContact CG1-CG2 4.28Å; V18-V22 HydrophobicContact CG2-CG2 4Å; V18-V22 PolarHBondContact O-N 3.44Å; V18-V22 VanDerWaalsContact O-N 3.14Å; V22-A53 HydrophobicContact CG2-CB 3.99Å; V22-V69 CarbonylContact C-O 3.23Å; V22-V69 WeakPolarHBondContact CA-O 3.41Å; V22-V69 HydrophobicContact CG2-CB 3.91Å; V22-V69 HydrophobicContact CG2-CG1 4.21Å |
| 23 | L | 96.4 | Very high | 95.9 | Very high | 100 Ų | 100 | 66.2 Ų | 66.2 | 52% | 0.524 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.8 | 165.8 | -180 | 64.6 | 0 | 0 | 0 | 109.7 | V69 N70 L71 | L23-V69 PolarHBondContact N-O 2.86Å; L23-N70 WeakPolarHBondContact O-CA 3.41Å; L23-L71 PolarHBondContact O-N 2.97Å |
| 24 | I | 96.8 | Very high | 95.2 | Very high | 88 Ų | 88 | 68.9 Ų | 68.9 | 45% | 0.451 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116 | 169.1 | -57.4 | 177.2 | 0 | 0 | 0 | 107.8 | L71 | I24-L71 HydrophobicContact CG1-CD2 4.3Å; I24-L71 HydrophobicContact CG2-CD2 4.37Å |
| 25 | T | 96.2 | Very high | 94.1 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 15% | 0.147 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 168.9 | 177 | 72.2 | 0 | 0 | 0 | 0 | 111.2 | F27 N70 L71 V72 F92 | T25-F27 PolarHBondContact O-N 3.22Å; T25-F27 PolarHBondContact OG1-N 2.94Å; T25-N70 HydrophobicContact CG2-CB 4.21Å; T25-L71 VanDerWaalsContact CB-O 3.32Å; T25-L71 WeakPolarHBondContact CB-O 3.36Å; T25-L71 VanDerWaalsContact CG2-O 3.28Å; T25-L71 WeakPolarHBondContact CG2-O 3.4Å; T25-L71 PolarHBondContact N-O 2.87Å; T25-L71 VanDerWaalsContact N-O 3.15Å; T25-L71 PolarHBondContact OG1-O 2.95Å; T25-V72 HydrophobicContact CG2-CG2 4.48Å; T25-F92 HydrophobicContact CG2-CE1 4.08Å; T25-F92 HydrophobicContact CG2-CZ 4.34Å |
| 26 | D | 93.8 | Very high | 92.4 | Very high | 146 Ų | 146 | 75.8 Ų | 75.8 | 78% | 0.781 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -4.1 | 173.1 | 59.5 | -20.8 | 0 | 0 | 0 | 113.2 | N28 F92 | D26-N28 PolarHBondContact O-N 3.36Å; D26-F92 WeakPolarHBondContact OD1-CE2 3.37Å; D26-F92 WeakPolarHBondContact OD1-CZ 3.43Å |
| 27 | F | 97.8 | Very high | 90.4 | Very high | 30 Ų | 30 | 79.1 Ų | 79.1 | 13% | 0.132 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.5 | 179.5 | -172.3 | -83.2 | 0 | 0 | 0 | 112.3 | T25 N29 V72 R73 V74 A88 G89 F92 | T25-F27 PolarHBondContact O-N 3.22Å; T25-F27 PolarHBondContact OG1-N 2.94Å; F27-N29 HydrophobicContact CE1-CB 3.74Å; F27-N29 HydrophobicContact CZ-CB 3.66Å; F27-V72 HydrophobicContact CB-CG1 4.2Å; F27-V72 HydrophobicContact CD1-CB 4.49Å; F27-V72 HydrophobicContact CD1-CG1 3.36Å; F27-V72 HydrophobicContact CE1-CG1 3.88Å; F27-V72 HydrophobicContact CG-CG1 3.82Å; F27-R73 PolarHBondContact O-N 2.87Å; F27-V74 HydrophobicContact CE1-CG1 3.81Å; F27-A88 HydrophobicContact CE2-CB 4.08Å; F27-A88 WeakPolarHBondContact CE2-O 3.4Å; F27-A88 VanDerWaalsContact CZ-C 3.45Å; F27-A88 HydrophobicContact CZ-CB 3.79Å; F27-G89 VanDerWaalsContact CZ-CA 3.41Å; F27-F92 HydrophobicContact CB-CD1 3.89Å; F27-F92 HydrophobicContact CB-CD2 4.12Å; F27-F92 HydrophobicContact CB-CE1 3.95Å; F27-F92 HydrophobicContact CB-CE2 4.17Å; F27-F92 HydrophobicContact CB-CG 3.98Å; F27-F92 HydrophobicContact CB-CZ 4.09Å; F27-F92 HydrophobicContact CD2-CB 3.45Å; F27-F92 VanDerWaalsContact CD2-CB 3.45Å; F27-F92 HydrophobicContact CD2-CD1 4.18Å; F27-F92 AromaticContact CD2-CD2 3.86Å; F27-F92 HydrophobicContact CD2-CD2 3.86Å; F27-F92 AromaticContact CD2-CG 3.56Å; F27-F92 HydrophobicContact CD2-CG 3.56Å; F27-F92 HydrophobicContact CE2-CB 3.81Å; F27-F92 HydrophobicContact CE2-CG 4.4Å; F27-F92 HydrophobicContact CG-CB 4.24Å; F27-F92 HydrophobicContact CG-CD1 4.19Å; F27-F92 HydrophobicContact CG-CD2 4.42Å; F27-F92 HydrophobicContact CG-CG 4.02Å |
| 28 | N | 96.8 | Very high | 88.4 | Confident | 104 Ų | 104 | 81.6 Ų | 81.6 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 113.3 | 173 | 179.7 | 30.7 | 0 | 0 | 0 | 110.6 | D26 R73 | D26-N28 PolarHBondContact O-N 3.36Å; N28-R73 WeakPolarHBondContact OD1-CD 3.4Å |
| 29 | N | 97.1 | Very high | 86.6 | Confident | 65 Ų | 65 | 88 Ų | 88 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | trans | -142.4 | 92 | 175.7 | -167.8 | -22.4 | 0 | 0 | 0 | 110.3 | F27 R73 | F27-N29 HydrophobicContact CE1-CB 3.74Å; F27-N29 HydrophobicContact CZ-CB 3.66Å; N29-R73 PolarHBondContact N-O 2.8Å | ||
| 30 | V | 96.1 | Very high | 84.7 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 25% | 0.248 | 48% | 0.479 | C | S | . | . | trans | -128.8 | 145.7 | -174.2 | -57 | 0 | 0 | 0 | 0 | 110.3 | R73 L75 N76 | V30-R73 HydrophobicContact CG1-CG 3.89Å; V30-L75 VanDerWaalsContact CG1-C 3.47Å; V30-L75 WeakPolarHBondContact CG1-O 3.28Å; V30-N76 HydrophobicContact CB-CB 4.08Å; V30-N76 HydrophobicContact CG2-CB 4.34Å | ||
| 31 | P | 94.3 | Very high | 82.6 | Confident | 38 Ų | 38 | 95.7 Ų | 95.7 | 25% | 0.247 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.1 | 172.3 | 30.2 | -33.6 | 0 | 0 | 0 | 111 | N76 K80 T82 | P31-N76 WeakPolarHBondContact O-CB 3.39Å; P31-N76 PolarHBondContact O-ND2 3.03Å; P31-K80 WeakPolarHBondContact CD-O 3.08Å; P31-K80 HydrophobicContact CG-CB 4.48Å; P31-T82 HydrophobicContact CB-CG2 4.04Å; P31-T82 HydrophobicContact CG-CG2 4.15Å |
| 32 | E | 90.2 | Very high | 80.4 | Confident | 177 Ų | 177 | 97.3 Ų | 97.3 | 83% | 0.827 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 147.3 | 168.9 | -64.8 | -174.2 | 172.1 | 0 | 0 | 110.6 | N76 | E32-N76 PolarHBondContact O-ND2 3.44Š|
| 33 | E | 88.8 | Confident | 78.5 | Confident | 43 Ų | 43 | 98.5 Ų | 98.5 | 20% | 0.201 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 140.5 | 176.6 | -64 | 90.4 | 175 | 0 | 0 | 112 | G35 V38 R40 N76 C77 Q78 | E33-G35 PolarHBondContact O-N 3.16Å; E33-V38 HydrophobicContact CB-CB 4.3Å; E33-V38 HydrophobicContact CB-CG1 4.04Å; E33-V38 HydrophobicContact CB-CG2 3.94Å; E33-V38 HydrophobicContact CG-CG1 4.25Å; E33-R40 IonicContact OE2-NH2 3.77Å; E33-N76 HydrophobicContact CG-CB 4.24Å; E33-C77 HydrophobicContact CG-CB 4.37Å; E33-Q78 HydrophobicContact CG-CG 4.45Å |
| 34 | D | 83.1 | Confident | 77 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -75 | 122.3 | 177.4 | -67.8 | -41.8 | 0 | 0 | 0 | 110.9 | V38 Q78 K80 | D34-V38 WeakPolarHBondContact O-CG2 3.09Å; D34-Q78 PolarHBondContact O-NE2 2.87Å; D34-K80 IonicContact OD2-NZ 2.84Å; D34-K80 PolarHBondContact OD2-NZ 3.1Å |
| 35 | G | 72.8 | Confident | 76.4 | Confident | 60 Ų | 60 | 96.2 Ų | 96.2 | 62% | 0.619 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 125.2 | 149 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | E33 R37 | E33-G35 PolarHBondContact O-N 3.16Å; G35-R37 PolarHBondContact O-N 2.94Å |
| 36 | V | 62.9 | Low | 75.9 | Confident | 155 Ų | 155 | 97 Ų | 97 | 94% | 0.939 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -7.2 | -174.3 | -162.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 37 | R | 55 | Low | 75.9 | Confident | 215 Ų | 215 | 90.5 Ų | 90.5 | 81% | 0.811 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.4 | 51.2 | -176.4 | -62.8 | -172.3 | -177.4 | -172.1 | 0.6 | 113.1 | G35 H39 | G35-R37 PolarHBondContact O-N 2.94Å; R37-H39 PolarHBondContact O-N 2.83Å; R37-H39 VanDerWaalsContact O-N 3.12Å |
| 38 | V | 57.4 | Low | 75.9 | Confident | 54 Ų | 54 | 92 Ų | 92 | 33% | 0.327 | 48% | 0.483 | S | S | . | . | trans | -78.1 | 95.8 | 169.8 | -176 | 0 | 0 | 0 | 0 | 108.6 | E33 D34 R40 | E33-V38 HydrophobicContact CB-CB 4.3Å; E33-V38 HydrophobicContact CB-CG1 4.04Å; E33-V38 HydrophobicContact CB-CG2 3.94Å; E33-V38 HydrophobicContact CG-CG1 4.25Å; D34-V38 WeakPolarHBondContact O-CG2 3.09Å; V38-R40 PolarHBondContact O-N 2.61Å; V38-R40 VanDerWaalsContact O-N 3.08Å | ||
| 39 | H | 59.8 | Low | 75.9 | Confident | 135 Ų | 135 | 87 Ų | 87 | 63% | 0.625 | 46% | 0.457 | S | S | * | . | trans | -77 | 91.8 | 171 | -66.9 | -58 | 0 | 0 | 0 | 109 | R37 Q41 A42 S43 | R37-H39 PolarHBondContact O-N 2.83Å; R37-H39 VanDerWaalsContact O-N 3.12Å; H39-Q41 PolarHBondContact O-N 3.07Å; H39-A42 PolarHBondContact O-N 3.26Å; H39-S43 PolarHBondContact O-N 2.94Å | ||
| 40 | R | 55.9 | Low | 76 | Confident | 165 Ų | 165 | 84 Ų | 84 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | -21 | 177.6 | -155.4 | -177.9 | -80.8 | 154.4 | -5 | 113.6 | E33 V38 S43 | E33-R40 IonicContact OE2-NH2 3.77Å; V38-R40 PolarHBondContact O-N 2.61Å; V38-R40 VanDerWaalsContact O-N 3.08Å; R40-S43 PolarHBondContact O-OG 3.33Å |
| 41 | Q | 51.3 | Low | 76.1 | Confident | 203 Ų | 203 | 82 Ų | 82 | 95% | 0.949 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.6 | 176.2 | -67.3 | 179.5 | -10.2 | 0 | 0 | 114.5 | H39 | H39-Q41 PolarHBondContact O-N 3.07Š|
| 42 | A | 50 | Low | 76.3 | Confident | 87 Ų | 87 | 80.2 Ų | 80.2 | 72% | 0.719 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -13.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H39 | H39-A42 PolarHBondContact O-N 3.26Š|
| 43 | S | 55.8 | Low | 76.7 | Confident | 39 Ų | 39 | 71.8 Ų | 71.8 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -89.1 | 123.1 | 174 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | H39 R40 C45 | H39-S43 PolarHBondContact O-N 2.94Å; R40-S43 PolarHBondContact O-OG 3.33Å; S43-C45 PolarHBondContact O-N 2.03Å; S43-C45 PolarHBondContact OG-SG 3.3Å; S43-C45 VanDerWaalsContact OG-SG 3.34Å |
| 44 | Q | 64.6 | Low | 77.2 | Confident | 117 Ų | 117 | 69.7 Ų | 69.7 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | trans | -70.6 | 76.1 | 170.6 | -66.8 | 175.4 | 5.6 | 0 | 0 | 110.1 | D46 G47 D196 | Q44-D46 PolarHBondContact O-N 3.33Å; Q44-G47 PolarHBondContact O-N 3.46Å; Q44-G47 VanDerWaalsContact O-N 3.13Å; Q44-D196 PolarHBondContact NE2-OD1 3.46Å | ||
| 45 | C | 83.9 | Confident | 77.9 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 16% | 0.162 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -7.5 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 114.1 | S10 S43 C77 | S10-C45 VanDerWaalsContact CB-O 3.28Å; S10-C45 WeakPolarHBondContact CB-O 3.44Å; S10-C45 PolarHBondContact N-O 3.26Å; S10-C45 VanDerWaalsContact N-O 3.17Å; S10-C45 PolarHBondContact OG-O 3.11Å; S43-C45 PolarHBondContact O-N 2.03Å; S43-C45 PolarHBondContact OG-SG 3.3Å; S43-C45 VanDerWaalsContact OG-SG 3.34Å; C45-C77 HydrophobicContact CB-CB 3.89Å; C45-C77 WeakPolarHBondContact CB-SG 3.18Å; C45-C77 WeakPolarHBondContact SG-CB 3.42Å; C45-C77 CovalentContact SG-SG 2.03Å; C45-C77 PolarHBondContact SG-SG 3.21Å |
| 46 | D | 87.2 | Confident | 79.2 | Confident | 40 Ų | 40 | 62.3 Ų | 62.3 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -2.7 | -176.5 | 55.2 | -1.9 | 0 | 0 | 0 | 113.5 | S10 Q44 T50 S195 | S10-D46 VanDerWaalsContact O-CA 3.31Å; S10-D46 WeakPolarHBondContact O-CA 3.3Å; Q44-D46 PolarHBondContact O-N 3.33Å; D46-T50 WeakPolarHBondContact O-CB 3.48Å; D46-T50 PolarHBondContact O-N 3.41Å; D46-T50 PolarHBondContact O-OG1 3.37Å; D46-S195 WeakPolarHBondContact OD1-CB 3.37Å; D46-S195 PolarHBondContact OD1-OG 2.96Å |
| 47 | G | 93.6 | Very high | 80.8 | Confident | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -47 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q44 H51 S195 | Q44-G47 PolarHBondContact O-N 3.46Å; Q44-G47 VanDerWaalsContact O-N 3.13Å; G47-H51 WeakPolarHBondContact O-CB 3.44Å; G47-H51 PolarHBondContact O-N 3.49Å; G47-S195 WeakPolarHBondContact CA-OG 3.5Å; G47-S195 PolarHBondContact N-OG 2.62Å |
| 48 | H | 96.9 | Very high | 82.9 | Confident | 61 Ų | 61 | 44.7 Ų | 44.7 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.5 | -53.1 | -179.1 | -173.8 | -106.5 | 0 | 0 | 0 | 111.6 | D8 T50 H51 L52 | D8-H48 IonicContact OD1-CG 2.77Å; D8-H48 IonicContact OD1-ND1 3.56Å; D8-H48 PolarHBondContact OD1-ND1 3.34Å; D8-H48 IonicContact OD2-CE1 3.57Å; D8-H48 PolarHBondContact OD2-CE1 2.63Å; D8-H48 IonicContact OD2-ND1 3.43Å; D8-H48 PolarHBondContact OD2-ND1 3.16Å; H48-T50 PolarHBondContact O-N 2.74Å; H48-H51 PolarHBondContact O-N 3.26Å; H48-L52 WeakPolarHBondContact CE1-CD1 3.42Å; H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.97Å |
| 49 | G | 97.8 | Very high | 84.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D8 L52 A53 | D8-G49 WeakPolarHBondContact OD1-CA 3.43Å; D8-G49 PolarHBondContact OD1-N 3.09Å; G49-L52 PolarHBondContact O-N 3.25Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 3.44Å |
| 50 | T | 98.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | Q12 H15 D46 H48 A53 G54 A193 | Q12-T50 HydrophobicContact CB-CG2 4.1Å; Q12-T50 PolarHBondContact N-OG1 2.95Å; H15-T50 HydrophobicContact CB-CG2 4.38Å; D46-T50 WeakPolarHBondContact O-CB 3.48Å; D46-T50 PolarHBondContact O-N 3.41Å; D46-T50 PolarHBondContact O-OG1 3.37Å; H48-T50 PolarHBondContact O-N 2.74Å; T50-A53 PolarHBondContact O-N 2.69Å; T50-G54 PolarHBondContact O-N 3.34Å; T50-A193 HydrophobicContact CG2-CB 3.94Å |
| 51 | H | 98.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 177.3 | -173.7 | -87.2 | 0 | 0 | 0 | 111.3 | G47 H48 A53 G54 V55 I190 S192 A193 T202 | G47-H51 WeakPolarHBondContact O-CB 3.44Å; G47-H51 PolarHBondContact O-N 3.49Å; H48-H51 PolarHBondContact O-N 3.26Å; H51-A53 PolarHBondContact O-N 3.24Å; H51-G54 WeakPolarHBondContact O-CA 3.33Å; H51-G54 PolarHBondContact O-N 2.96Å; H51-G54 VanDerWaalsContact O-N 3.12Å; H51-V55 WeakPolarHBondContact O-CG2 3.18Å; H51-V55 PolarHBondContact O-N 2.79Å; H51-I190 PolarHBondContact CE1-O 2.74Å; H51-I190 VanDerWaalsContact CE1-O 3.25Å; H51-I190 PolarHBondContact NE2-O 3.26Å; H51-S192 PolarHBondContact NE2-N 3.01Å; H51-S192 PolarHBondContact O-OG 3.21Å; H51-A193 WeakPolarHBondContact CA-O 3.45Å; H51-T202 PolarHBondContact NE2-O 3.17Å |
| 52 | L | 98.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 179.7 | -62.7 | -178.5 | 0 | 0 | 0 | 113.1 | L6 H48 G49 G54 V55 V56 P110 Q209 A212 | L6-L52 HydrophobicContact CD1-CD1 4.48Å; H48-L52 WeakPolarHBondContact CE1-CD1 3.42Å; H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.97Å; G49-L52 PolarHBondContact O-N 3.25Å; L52-G54 PolarHBondContact O-N 3.22Å; L52-V55 PolarHBondContact O-N 2.83Å; L52-V56 WeakPolarHBondContact O-CG2 3.23Å; L52-V56 PolarHBondContact O-N 3.24Å; L52-P110 HydrophobicContact CD1-CB 3.35Å; L52-P110 HydrophobicContact CD1-CG 3.47Å; L52-P110 VanDerWaalsContact CD1-CG 3.47Å; L52-Q209 HydrophobicContact CD2-CG 4.17Å; L52-A212 HydrophobicContact CD2-CB 4.01Å |
| 53 | A | 98.6 | Very high | 93 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.5 | -38.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L6 V11 V18 V22 G49 T50 H51 V56 T57 | L6-A53 HydrophobicContact CD2-CB 4.17Å; V11-A53 HydrophobicContact CG1-CB 4.21Å; V11-A53 HydrophobicContact CG2-CB 4.5Å; V18-A53 HydrophobicContact CG1-CB 4.16Å; V22-A53 HydrophobicContact CG2-CB 3.99Å; G49-A53 WeakPolarHBondContact O-CB 3.47Å; G49-A53 PolarHBondContact O-N 3.44Å; T50-A53 PolarHBondContact O-N 2.69Å; H51-A53 PolarHBondContact O-N 3.24Å; A53-V56 PolarHBondContact O-N 2.88Å; A53-T57 VanDerWaalsContact O-CG2 3.25Å; A53-T57 WeakPolarHBondContact O-CG2 3.42Å; A53-T57 PolarHBondContact O-N 3.12Å |
| 54 | G | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T50 H51 L52 V56 G58 G62 S192 | T50-G54 PolarHBondContact O-N 3.34Å; H51-G54 WeakPolarHBondContact O-CA 3.33Å; H51-G54 PolarHBondContact O-N 2.96Å; H51-G54 VanDerWaalsContact O-N 3.12Å; L52-G54 PolarHBondContact O-N 3.22Å; G54-V56 VanDerWaalsContact C-N 3.32Å; G54-V56 PolarHBondContact O-N 2.85Å; G54-G58 WeakPolarHBondContact O-CA 3.5Å; G54-G58 PolarHBondContact O-N 3.42Å; G54-G62 VanDerWaalsContact O-CA 3.27Å; G54-G62 WeakPolarHBondContact O-CA 3.29Å; G54-S192 WeakPolarHBondContact CA-OG 3.36Å |
| 55 | V | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 177 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | H51 L52 G62 V63 I190 S192 A212 | H51-V55 WeakPolarHBondContact O-CG2 3.18Å; H51-V55 PolarHBondContact O-N 2.79Å; L52-V55 PolarHBondContact O-N 2.83Å; V55-G62 WeakPolarHBondContact O-CA 3.37Å; V55-V63 PolarHBondContact O-N 2.77Å; V55-I190 HydrophobicContact CG2-CG2 3.73Å; V55-S192 PolarHBondContact N-OG 3.14Å; V55-A212 HydrophobicContact CB-CB 3.93Å; V55-A212 HydrophobicContact CG1-CB 3.65Å |
| 56 | V | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.7 | -56.9 | 179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | V4 L52 A53 G54 V63 A64 V69 L108 A212 | V4-V56 HydrophobicContact CB-CG1 4.35Å; V4-V56 HydrophobicContact CG1-CG1 4.26Å; V4-V56 HydrophobicContact CG2-CG1 3.99Å; L52-V56 WeakPolarHBondContact O-CG2 3.23Å; L52-V56 PolarHBondContact O-N 3.24Å; A53-V56 PolarHBondContact O-N 2.88Å; G54-V56 VanDerWaalsContact C-N 3.32Å; G54-V56 PolarHBondContact O-N 2.85Å; V56-V63 PolarHBondContact O-N 2.72Å; V56-A64 CarbonylContact O-C 3.59Å; V56-A64 WeakPolarHBondContact O-CA 3.43Å; V56-A64 PolarHBondContact O-N 2.93Å; V56-V69 HydrophobicContact CG1-CG2 4.16Å; V56-L108 HydrophobicContact CG2-CD2 3.79Å; V56-A212 HydrophobicContact CG2-CB 3.92Å |
| 57 | T | 98 | Very high | 97 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -120 | -6.8 | -166.4 | -173.4 | 0 | 0 | 0 | 0 | 114.7 | V18 R21 A53 R65 A67 V69 | V18-T57 HydrophobicContact CG1-CG2 4.16Å; R21-T57 HydrophobicContact CB-CG2 4.36Å; R21-T57 PolarHBondContact NH1-O 3.02Å; R21-T57 PolarHBondContact NH1-OG1 3.17Å; A53-T57 VanDerWaalsContact O-CG2 3.25Å; A53-T57 WeakPolarHBondContact O-CG2 3.42Å; A53-T57 PolarHBondContact O-N 3.12Å; T57-R65 WeakPolarHBondContact O-CA 3.21Å; T57-A67 PolarHBondContact OG1-O 3.03Å; T57-V69 HydrophobicContact CG2-CB 4.49Å; T57-V69 HydrophobicContact CG2-CG2 3.61Å |
| 58 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -40.3 | 136.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E17 G54 D60 G62 R65 | E17-G58 CarbonylContact O-C 3.6Å; E17-G58 VanDerWaalsContact O-CA 3.26Å; E17-G58 WeakPolarHBondContact O-CA 3.49Å; E17-G58 WeakPolarHBondContact OE2-CA 3.4Å; G54-G58 WeakPolarHBondContact O-CA 3.5Å; G54-G58 PolarHBondContact O-N 3.42Å; G58-D60 VanDerWaalsContact C-N 3.27Å; G58-D60 PolarHBondContact O-N 3.05Å; G58-G62 WeakPolarHBondContact O-CA 3.42Å; G58-G62 PolarHBondContact O-N 3.21Å; G58-R65 WeakPolarHBondContact O-CG 3.1Å | ||
| 59 | S | 97.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 19.8 Ų | 19.8 | 27% | 0.273 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -43.5 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 112.5 | R16 E17 R21 R65 | R16-S59 PolarHBondContact O-OG 3.44Å; E17-S59 PolarHBondContact O-N 3.45Å; E17-S59 PolarHBondContact O-OG 3.43Å; E17-S59 WeakPolarHBondContact OE1-CB 3.25Å; E17-S59 PolarHBondContact OE1-N 2.91Å; R21-S59 PolarHBondContact NH2-OG 3.42Å; S59-R65 VanDerWaalsContact O-CD 3.3Å; S59-R65 WeakPolarHBondContact O-CD 3.25Å; S59-R65 PolarHBondContact O-NE 3.41Å; S59-R65 PolarHBondContact O-NH1 2.8Å; S59-R65 VanDerWaalsContact O-NH1 3.17Å |
| 60 | D | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 20.5 Ų | 20.5 | 42% | 0.422 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -41.6 | -173.2 | -63.2 | -31.3 | 0 | 0 | 0 | 111.2 | R16 E17 G58 R65 F201 | R16-D60 IonicContact NH2-OD2 3.65Å; E17-D60 WeakPolarHBondContact OE1-CB 3.15Å; E17-D60 PolarHBondContact OE1-N 3.02Å; E17-D60 PolarHBondContact OE2-N 3.11Å; G58-D60 VanDerWaalsContact C-N 3.27Å; G58-D60 PolarHBondContact O-N 3.05Å; D60-R65 PolarHBondContact O-NH2 2.98Å; D60-F201 HydrophobicContact CB-CZ 4.41Å |
| 61 | S | 96.4 | Very high | 97 | Very high | 35 Ų | 35 | 20.7 Ų | 20.7 | 25% | 0.245 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -9.1 | -175.5 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | E17 S192 | E17-S61 WeakPolarHBondContact OE2-CB 3.35Å; E17-S61 PolarHBondContact OE2-N 2.94Å; E17-S61 PolarHBondContact OE2-OG 2.86Å; S61-S192 PolarHBondContact OG-OG 3.3Å |
| 62 | G | 97.6 | Very high | 97 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 7% | 0.072 | 12% | 0.124 | C | C | . | . | trans | -77.8 | 146.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G54 V55 G58 R65 | G54-G62 VanDerWaalsContact O-CA 3.27Å; G54-G62 WeakPolarHBondContact O-CA 3.29Å; V55-G62 WeakPolarHBondContact O-CA 3.37Å; G58-G62 WeakPolarHBondContact O-CA 3.42Å; G58-G62 PolarHBondContact O-N 3.21Å; G62-R65 VanDerWaalsContact O-CG 3.3Å; G62-R65 WeakPolarHBondContact O-CG 3.27Å; G62-R65 PolarHBondContact O-NE 3.12Å | ||
| 63 | V | 97.8 | Very high | 97 | Very high | 38 Ų | 38 | 23.4 Ų | 23.4 | 23% | 0.23 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -72.4 | -49.8 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 111 | V55 V56 H213 I217 M266 | V55-V63 PolarHBondContact O-N 2.77Å; V56-V63 PolarHBondContact O-N 2.72Å; V63-H213 HydrophobicContact CG2-CB 4.46Å; V63-I217 HydrophobicContact CG1-CG1 4.08Å; V63-M266 HydrophobicContact CG1-SD 3.96Å |
| 64 | A | 95.9 | Very high | 97 | Very high | 6 Ų | 6 | 23.6 Ų | 23.6 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -110.4 | 68.3 | -179 | 0 | 0 | 0 | 0 | 0 | 110.7 | V56 G66 A67 G216 A219 V220 | V56-A64 CarbonylContact O-C 3.59Å; V56-A64 WeakPolarHBondContact O-CA 3.43Å; V56-A64 PolarHBondContact O-N 2.93Å; A64-G66 PolarHBondContact O-N 3.41Å; A64-A67 HydrophobicContact CB-CB 3.89Å; A64-A67 WeakPolarHBondContact O-CB 3.33Å; A64-A67 PolarHBondContact O-N 3.16Å; A64-G216 WeakPolarHBondContact CB-O 3.39Å; A64-A219 HydrophobicContact CB-CB 4.03Å; A64-V220 HydrophobicContact CB-CG2 3.91Å |
| 65 | R | 94.9 | Very high | 96.9 | Very high | 144 Ų | 144 | 24.2 Ų | 24.2 | 54% | 0.543 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.5 | -172 | -54.6 | -174.5 | 176.7 | -166.3 | 2.2 | 115.8 | R21 T57 G58 S59 D60 G62 | R21-R65 WeakPolarHBondContact CD-O 3.24Å; T57-R65 WeakPolarHBondContact O-CA 3.21Å; G58-R65 WeakPolarHBondContact O-CG 3.1Å; S59-R65 VanDerWaalsContact O-CD 3.3Å; S59-R65 WeakPolarHBondContact O-CD 3.25Å; S59-R65 PolarHBondContact O-NE 3.41Å; S59-R65 PolarHBondContact O-NH1 2.8Å; S59-R65 VanDerWaalsContact O-NH1 3.17Å; D60-R65 PolarHBondContact O-NH2 2.98Å; G62-R65 VanDerWaalsContact O-CG 3.3Å; G62-R65 WeakPolarHBondContact O-CG 3.27Å; G62-R65 PolarHBondContact O-NE 3.12Å |
| 66 | G | 91.3 | Very high | 96.7 | Very high | 48 Ų | 48 | 24.2 Ų | 24.2 | 50% | 0.495 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 11.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | M1 A64 | M1-G66 WeakPolarHBondContact CE-O 3.42Å; M1-G66 WeakPolarHBondContact CG-O 3.39Å; A64-G66 PolarHBondContact O-N 3.41Å |
| 67 | A | 93.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.033 | 14% | 0.144 | C | C | . | . | trans | -91.6 | 150 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4 T57 A64 A219 | V4-A67 HydrophobicContact CG2-CB 4.48Å; T57-A67 PolarHBondContact OG1-O 3.03Å; A64-A67 HydrophobicContact CB-CB 3.89Å; A64-A67 WeakPolarHBondContact O-CB 3.33Å; A64-A67 PolarHBondContact O-N 3.16Å; A67-A219 HydrophobicContact CB-CB 4.35Å | ||
| 68 | G | 94.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 29 Ų | 29 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 145.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A2 V4 | A2-G68 PolarHBondContact O-N 3.11Å; V4-G68 PolarHBondContact N-O 3.08Å |
| 69 | V | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.8 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | V4 L6 R21 V22 L23 V56 T57 | V4-V69 HydrophobicContact CB-CG2 4.3Å; V4-V69 CarbonylContact O-C 3.54Å; V4-V69 VanDerWaalsContact O-CA 3.23Å; V4-V69 WeakPolarHBondContact O-CA 3.49Å; L6-V69 HydrophobicContact CB-CG1 3.79Å; L6-V69 HydrophobicContact CD2-CG1 4.32Å; R21-V69 PolarHBondContact O-N 2.98Å; V22-V69 CarbonylContact C-O 3.23Å; V22-V69 WeakPolarHBondContact CA-O 3.41Å; V22-V69 HydrophobicContact CG2-CB 3.91Å; V22-V69 HydrophobicContact CG2-CG1 4.21Å; L23-V69 PolarHBondContact N-O 2.86Å; V56-V69 HydrophobicContact CG1-CG2 4.16Å; T57-V69 HydrophobicContact CG2-CB 4.49Å; T57-V69 HydrophobicContact CG2-CG2 3.61Å |
| 70 | N | 97.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 109.2 | 174.2 | -61.8 | -83.8 | 0 | 0 | 0 | 109.1 | E3 V4 Y5 L6 L23 T25 | E3-N70 PolarHBondContact OE2-ND2 3.49Å; V4-N70 PolarHBondContact O-N 3.03Å; Y5-N70 CarbonylContact C-O 3.47Å; Y5-N70 WeakPolarHBondContact CA-O 3.27Å; Y5-N70 HydrophobicContact CD1-CB 3.58Å; Y5-N70 HydrophobicContact CE1-CB 3.7Å; Y5-N70 HydrophobicContact CG-CB 4.25Å; L6-N70 PolarHBondContact N-O 3.42Å; L23-N70 WeakPolarHBondContact O-CA 3.41Å; T25-N70 HydrophobicContact CG2-CB 4.21Å |
| 71 | L | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.1 | -178.5 | -178.8 | 68.9 | 0 | 0 | 0 | 111.2 | L6 G9 V11 L23 I24 T25 | L6-L71 HydrophobicContact CB-CD1 4.35Å; L6-L71 HydrophobicContact CD2-CD1 4.06Å; L6-L71 HydrophobicContact CG-CD1 4Å; G9-L71 WeakPolarHBondContact O-CD1 3.41Å; V11-L71 HydrophobicContact CB-CD2 3.9Å; V11-L71 HydrophobicContact CG2-CD1 3.65Å; V11-L71 HydrophobicContact CG2-CD2 3.65Å; V11-L71 HydrophobicContact CG2-CG 4.15Å; L23-L71 PolarHBondContact O-N 2.97Å; I24-L71 HydrophobicContact CG1-CD2 4.3Å; I24-L71 HydrophobicContact CG2-CD2 4.37Å; T25-L71 VanDerWaalsContact CB-O 3.32Å; T25-L71 WeakPolarHBondContact CB-O 3.36Å; T25-L71 VanDerWaalsContact CG2-O 3.28Å; T25-L71 WeakPolarHBondContact CG2-O 3.4Å; T25-L71 PolarHBondContact N-O 2.87Å; T25-L71 VanDerWaalsContact N-O 3.15Å; T25-L71 PolarHBondContact OG1-O 2.95Å |
| 72 | V | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 104.3 | 173.9 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | Y5 L6 M7 D8 T25 F27 V74 F92 I93 | Y5-V72 HydrophobicContact CD1-CG2 4.06Å; L6-V72 PolarHBondContact O-N 3.42Å; M7-V72 WeakPolarHBondContact CA-O 3.47Å; M7-V72 HydrophobicContact CG-CB 3.96Å; M7-V72 HydrophobicContact CG-CG1 4.12Å; D8-V72 PolarHBondContact N-O 3.3Å; T25-V72 HydrophobicContact CG2-CG2 4.48Å; F27-V72 HydrophobicContact CB-CG1 4.2Å; F27-V72 HydrophobicContact CD1-CB 4.49Å; F27-V72 HydrophobicContact CD1-CG1 3.36Å; F27-V72 HydrophobicContact CE1-CG1 3.88Å; F27-V72 HydrophobicContact CG-CG1 3.82Å; V72-V74 HydrophobicContact CG1-CG1 4.39Å; V72-V74 PolarHBondContact O-N 3.23Å; V72-F92 HydrophobicContact CG1-CD1 4.38Å; V72-F92 HydrophobicContact CG2-CD1 4Å; V72-F92 HydrophobicContact CG2-CE1 4.05Å; V72-I93 HydrophobicContact CG2-CD1 4.21Å; V72-I93 HydrophobicContact CG2-CG1 3.95Å |
| 73 | R | 97.8 | Very high | 95.6 | Very high | 57 Ų | 57 | 35.8 Ų | 35.8 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 113.9 | -169.4 | -176 | 178.2 | 176 | 145.6 | 8.2 | 112.4 | D8 S10 F27 N28 N29 V30 | D8-R73 CarbonylContact O-C 3.59Å; D8-R73 WeakPolarHBondContact O-CA 3.42Å; S10-R73 PolarHBondContact OG-NH1 2.95Å; S10-R73 PolarHBondContact OG-NH2 2.82Å; F27-R73 PolarHBondContact O-N 2.87Å; N28-R73 WeakPolarHBondContact OD1-CD 3.4Å; N29-R73 PolarHBondContact N-O 2.8Å; V30-R73 HydrophobicContact CG1-CG 3.89Å |
| 74 | V | 98.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | trans | -128 | -6.5 | 179.9 | -64.4 | 0 | 0 | 0 | 0 | 114.4 | M7 D8 F27 V72 G81 F111 | M7-V74 HydrophobicContact CB-CG2 3.94Å; M7-V74 HydrophobicContact CE-CG1 3.85Å; M7-V74 HydrophobicContact CE-CG2 4.36Å; D8-V74 PolarHBondContact O-N 3.2Å; F27-V74 HydrophobicContact CE1-CG1 3.81Å; V72-V74 HydrophobicContact CG1-CG1 4.39Å; V72-V74 PolarHBondContact O-N 3.23Å; V74-G81 WeakPolarHBondContact O-CA 3.41Å; V74-F111 HydrophobicContact CG2-CD1 4.38Å; V74-F111 HydrophobicContact CG2-CE1 3.99Å | ||
| 75 | L | 96.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | trans | -112.8 | 139.3 | 174.7 | -51.8 | 179.4 | 0 | 0 | 0 | 112.1 | D8 G9 V30 K80 F111 | D8-L75 PolarHBondContact O-N 3.12Å; D8-L75 WeakPolarHBondContact OD2-CD1 3.34Å; G9-L75 WeakPolarHBondContact CA-O 3.3Å; V30-L75 VanDerWaalsContact CG1-C 3.47Å; V30-L75 WeakPolarHBondContact CG1-O 3.28Å; L75-K80 CarbonylContact C-O 3.59Å; L75-K80 WeakPolarHBondContact CA-O 3.38Å; L75-F111 HydrophobicContact CD1-CB 4.37Å; L75-F111 HydrophobicContact CD2-CB 4.4Å | ||
| 76 | N | 94.3 | Very high | 95.9 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | trans | -79.6 | -178.3 | 173.2 | 74.1 | 10.1 | 0 | 0 | 0 | 111.7 | V30 P31 E32 E33 Q78 G79 K80 | V30-N76 HydrophobicContact CB-CB 4.08Å; V30-N76 HydrophobicContact CG2-CB 4.34Å; P31-N76 WeakPolarHBondContact O-CB 3.39Å; P31-N76 PolarHBondContact O-ND2 3.03Å; E32-N76 PolarHBondContact O-ND2 3.44Å; E33-N76 HydrophobicContact CG-CB 4.24Å; N76-Q78 PolarHBondContact O-N 3.03Å; N76-Q78 VanDerWaalsContact O-N 3.07Å; N76-Q78 WeakPolarHBondContact OD1-CA 3.34Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.28Å; N76-Q78 PolarHBondContact OD1-N 2.99Å; N76-G79 PolarHBondContact O-N 3.38Å; N76-G79 PolarHBondContact OD1-N 3.22Å; N76-K80 PolarHBondContact N-O 3.22Å; N76-K80 WeakPolarHBondContact OD1-CB 3.32Å; N76-K80 PolarHBondContact OD1-N 2.82Å; N76-K80 PolarHBondContact OD1-O 3.41Å | ||
| 77 | C | 91.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 31 Ų | 31 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.7 | -178.3 | -63.2 | 0 | 0 | 0 | 0 | 114.8 | E33 C45 | E33-C77 HydrophobicContact CG-CB 4.37Å; C45-C77 HydrophobicContact CB-CB 3.89Å; C45-C77 WeakPolarHBondContact CB-SG 3.18Å; C45-C77 WeakPolarHBondContact SG-CB 3.42Å; C45-C77 CovalentContact SG-SG 2.03Å; C45-C77 PolarHBondContact SG-SG 3.21Å |
| 78 | Q | 89.9 | Confident | 96.5 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.9 | 175.4 | -61.3 | 174.7 | -41.5 | 0 | 0 | 112 | E33 D34 N76 K80 | E33-Q78 HydrophobicContact CG-CG 4.45Å; D34-Q78 PolarHBondContact O-NE2 2.87Å; N76-Q78 PolarHBondContact O-N 3.03Å; N76-Q78 VanDerWaalsContact O-N 3.07Å; N76-Q78 WeakPolarHBondContact OD1-CA 3.34Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.28Å; N76-Q78 PolarHBondContact OD1-N 2.99Å; Q78-K80 HydrophobicContact CB-CD 4.49Å; Q78-K80 HydrophobicContact CB-CG 4.22Å; Q78-K80 PolarHBondContact O-N 3.2Å |
| 79 | G | 92.1 | Very high | 96.7 | Very high | 51 Ų | 51 | 32 Ų | 32 | 53% | 0.526 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 70.8 | 18.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N76 | N76-G79 PolarHBondContact O-N 3.38Å; N76-G79 PolarHBondContact OD1-N 3.22Å |
| 80 | K | 94.3 | Very high | 96.7 | Very high | 101 Ų | 101 | 32.1 Ų | 32.1 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | trans | -100.1 | 137.2 | -178.8 | -62.2 | -173.7 | 178.2 | -173 | 0 | 111.4 | P31 D34 L75 N76 Q78 | P31-K80 WeakPolarHBondContact CD-O 3.08Å; P31-K80 HydrophobicContact CG-CB 4.48Å; D34-K80 IonicContact OD2-NZ 2.84Å; D34-K80 PolarHBondContact OD2-NZ 3.1Å; L75-K80 CarbonylContact C-O 3.59Å; L75-K80 WeakPolarHBondContact CA-O 3.38Å; N76-K80 PolarHBondContact N-O 3.22Å; N76-K80 WeakPolarHBondContact OD1-CB 3.32Å; N76-K80 PolarHBondContact OD1-N 2.82Å; N76-K80 PolarHBondContact OD1-O 3.41Å; Q78-K80 HydrophobicContact CB-CD 4.49Å; Q78-K80 HydrophobicContact CB-CG 4.22Å; Q78-K80 PolarHBondContact O-N 3.2Å | ||
| 81 | G | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 37% | 0.371 | 22% | 0.215 | S | C | . | . | trans | -129.9 | -176.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V74 | V74-G81 WeakPolarHBondContact O-CA 3.41Š| ||
| 82 | T | 98.2 | Very high | 96.6 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | trans | -128.1 | 152.4 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 109.9 | P31 S84 G85 A86 | P31-T82 HydrophobicContact CB-CG2 4.04Å; P31-T82 HydrophobicContact CG-CG2 4.15Å; T82-S84 PolarHBondContact O-N 3.25Å; T82-S84 PolarHBondContact OG1-OG 3.43Å; T82-S84 VanDerWaalsContact OG1-OG 3.04Å; T82-G85 PolarHBondContact O-N 3.42Å; T82-G85 VanDerWaalsContact O-N 3.12Å; T82-G85 PolarHBondContact OG1-N 2.95Å; T82-A86 PolarHBondContact O-N 2.93Å | ||
| 83 | V | 98.3 | Very high | 96.5 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -56.2 | -41.8 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | G85 A86 L87 L119 | V83-G85 PolarHBondContact O-N 3.23Å; V83-A86 PolarHBondContact O-N 2.64Å; V83-L87 HydrophobicContact CG1-CD1 4.05Å; V83-L87 HydrophobicContact CG1-CG 4.26Å; V83-L87 VanDerWaalsContact O-CG 3.25Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.15Å; V83-L119 HydrophobicContact CG1-CB 4.36Å |
| 84 | S | 98.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 39 Ų | 39 | 56% | 0.559 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.9 | -39.7 | 176.6 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | T82 L87 A88 | T82-S84 PolarHBondContact O-N 3.25Å; T82-S84 PolarHBondContact OG1-OG 3.43Å; T82-S84 VanDerWaalsContact OG1-OG 3.04Å; S84-L87 PolarHBondContact O-N 3.33Å; S84-A88 WeakPolarHBondContact O-CB 3.25Å; S84-A88 PolarHBondContact O-N 3.49Å |
| 85 | G | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | T82 V83 A88 G89 | T82-G85 PolarHBondContact O-N 3.42Å; T82-G85 VanDerWaalsContact O-N 3.12Å; T82-G85 PolarHBondContact OG1-N 2.95Å; V83-G85 PolarHBondContact O-N 3.23Å; G85-A88 PolarHBondContact O-N 3.23Å; G85-G89 PolarHBondContact O-N 2.91Å |
| 86 | A | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 4% | 0.041 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M7 T82 V83 A88 G89 L90 F111 L119 | M7-A86 HydrophobicContact CE-CB 4.42Å; M7-A86 WeakPolarHBondContact CE-O 3.43Å; T82-A86 PolarHBondContact O-N 2.93Å; V83-A86 PolarHBondContact O-N 2.64Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.34Å; A86-G89 PolarHBondContact O-N 3.32Å; A86-L90 PolarHBondContact O-N 3.36Å; A86-F111 HydrophobicContact CB-CE2 4.19Å; A86-F111 HydrophobicContact CB-CZ 4.01Å; A86-L119 HydrophobicContact CB-CD1 4.12Å |
| 87 | L | 98.7 | Very high | 95.3 | Very high | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.2 | -69.8 | 175.8 | 0 | 0 | 0 | 112 | V83 S84 G89 L90 E91 L119 A122 | V83-L87 HydrophobicContact CG1-CD1 4.05Å; V83-L87 HydrophobicContact CG1-CG 4.26Å; V83-L87 VanDerWaalsContact O-CG 3.25Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 3.15Å; S84-L87 PolarHBondContact O-N 3.33Å; L87-G89 VanDerWaalsContact C-N 3.3Å; L87-G89 PolarHBondContact O-N 3.42Å; L87-L90 PolarHBondContact O-N 2.89Å; L87-E91 PolarHBondContact O-N 2.77Å; L87-L119 HydrophobicContact CD2-CD1 4.44Å; L87-A122 HydrophobicContact CD2-CB 3.38Å |
| 88 | A | 98.5 | Very high | 95.1 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | F27 S84 G85 A86 E91 F92 | F27-A88 HydrophobicContact CE2-CB 4.08Å; F27-A88 WeakPolarHBondContact CE2-O 3.4Å; F27-A88 VanDerWaalsContact CZ-C 3.45Å; F27-A88 HydrophobicContact CZ-CB 3.79Å; S84-A88 WeakPolarHBondContact O-CB 3.25Å; S84-A88 PolarHBondContact O-N 3.49Å; G85-A88 PolarHBondContact O-N 3.23Å; A86-A88 VanDerWaalsContact C-N 3.35Å; A86-A88 PolarHBondContact O-N 3.34Å; A88-E91 PolarHBondContact O-N 2.79Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 2.91Å |
| 89 | G | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | F27 G85 A86 L87 E91 F92 I93 | F27-G89 VanDerWaalsContact CZ-CA 3.41Å; G85-G89 PolarHBondContact O-N 2.91Å; A86-G89 PolarHBondContact O-N 3.32Å; L87-G89 VanDerWaalsContact C-N 3.3Å; L87-G89 PolarHBondContact O-N 3.42Å; G89-E91 VanDerWaalsContact C-N 3.32Å; G89-E91 PolarHBondContact O-N 2.84Å; G89-F92 WeakPolarHBondContact O-CB 3.49Å; G89-F92 PolarHBondContact O-N 3.35Å; G89-I93 WeakPolarHBondContact O-CG1 3.23Å; G89-I93 PolarHBondContact O-N 3.15Å |
| 90 | L | 98.1 | Very high | 94.5 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.1 | -71.9 | 171.2 | 0 | 0 | 0 | 111.7 | M7 A86 L87 I93 R94 V107 L109 L119 A122 T126 | M7-L90 HydrophobicContact CE-CG 4.22Å; M7-L90 HydrophobicContact SD-CD2 3.83Å; M7-L90 HydrophobicContact SD-CG 4.1Å; A86-L90 PolarHBondContact O-N 3.36Å; L87-L90 PolarHBondContact O-N 2.89Å; L90-I93 PolarHBondContact O-N 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.28Å; L90-R94 PolarHBondContact O-N 3.46Å; L90-V107 HydrophobicContact CD2-CG1 4.27Å; L90-L109 HydrophobicContact CD2-CD2 4.44Å; L90-L119 HydrophobicContact CD1-CD1 3.94Å; L90-A122 HydrophobicContact CD1-CB 3.77Å; L90-T126 HydrophobicContact CD2-CG2 4.41Å |
| 91 | E | 96.9 | Very high | 93.5 | Very high | 100 Ų | 100 | 53.9 Ų | 53.9 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 175.9 | -173.3 | 60.7 | -160.8 | 0 | 0 | 112 | L87 A88 G89 R94 A95 | L87-E91 PolarHBondContact O-N 2.77Å; A88-E91 PolarHBondContact O-N 2.79Å; G89-E91 VanDerWaalsContact C-N 3.32Å; G89-E91 PolarHBondContact O-N 2.84Å; E91-R94 WeakPolarHBondContact O-CB 3.38Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 WeakPolarHBondContact OE2-CD 3.33Å; E91-R94 IonicContact OE2-NH1 2.97Å; E91-R94 PolarHBondContact OE2-NH1 2.82Å; E91-A95 WeakPolarHBondContact O-CB 3.46Å; E91-A95 PolarHBondContact O-N 3.46Å |
| 92 | F | 96.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 172.6 | 169.8 | -93.9 | 0 | 0 | 0 | 112.2 | T25 D26 F27 V72 A88 G89 R94 A95 T96 | T25-F92 HydrophobicContact CG2-CE1 4.08Å; T25-F92 HydrophobicContact CG2-CZ 4.34Å; D26-F92 WeakPolarHBondContact OD1-CE2 3.37Å; D26-F92 WeakPolarHBondContact OD1-CZ 3.43Å; F27-F92 HydrophobicContact CB-CD1 3.89Å; F27-F92 HydrophobicContact CB-CD2 4.12Å; F27-F92 HydrophobicContact CB-CE1 3.95Å; F27-F92 HydrophobicContact CB-CE2 4.17Å; F27-F92 HydrophobicContact CB-CG 3.98Å; F27-F92 HydrophobicContact CB-CZ 4.09Å; F27-F92 HydrophobicContact CD2-CB 3.45Å; F27-F92 VanDerWaalsContact CD2-CB 3.45Å; F27-F92 HydrophobicContact CD2-CD1 4.18Å; F27-F92 AromaticContact CD2-CD2 3.86Å; F27-F92 HydrophobicContact CD2-CD2 3.86Å; F27-F92 AromaticContact CD2-CG 3.56Å; F27-F92 HydrophobicContact CD2-CG 3.56Å; F27-F92 HydrophobicContact CE2-CB 3.81Å; F27-F92 HydrophobicContact CE2-CG 4.4Å; F27-F92 HydrophobicContact CG-CB 4.24Å; F27-F92 HydrophobicContact CG-CD1 4.19Å; F27-F92 HydrophobicContact CG-CD2 4.42Å; F27-F92 HydrophobicContact CG-CG 4.02Å; V72-F92 HydrophobicContact CG1-CD1 4.38Å; V72-F92 HydrophobicContact CG2-CD1 4Å; V72-F92 HydrophobicContact CG2-CE1 4.05Å; A88-F92 WeakPolarHBondContact O-CB 3.44Å; A88-F92 PolarHBondContact O-N 2.91Å; G89-F92 WeakPolarHBondContact O-CB 3.49Å; G89-F92 PolarHBondContact O-N 3.35Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-R94 PolarHBondContact O-N 3.09Å; F92-A95 PolarHBondContact O-N 3.27Å; F92-T96 WeakPolarHBondContact O-CB 3.25Å; F92-T96 PolarHBondContact O-N 3.49Å; F92-T96 PolarHBondContact O-OG1 2.85Å |
| 93 | I | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -48.7 | 175.7 | -66.6 | 168.1 | 0 | 0 | 0 | 109.3 | Y5 M7 V72 G89 L90 A95 T96 L97 V107 | Y5-I93 HydrophobicContact CD1-CB 4.48Å; Y5-I93 HydrophobicContact CD1-CD1 4.19Å; Y5-I93 HydrophobicContact CD1-CG1 3.7Å; Y5-I93 HydrophobicContact CD1-CG2 4.21Å; Y5-I93 HydrophobicContact CD2-CG2 3.96Å; Y5-I93 HydrophobicContact CE1-CG1 4.27Å; Y5-I93 HydrophobicContact CE1-CG2 4.37Å; Y5-I93 HydrophobicContact CE2-CG2 4.14Å; Y5-I93 HydrophobicContact CG-CD1 4.05Å; Y5-I93 HydrophobicContact CG-CG1 3.97Å; Y5-I93 HydrophobicContact CG-CG2 3.99Å; M7-I93 HydrophobicContact CG-CD1 3.91Å; M7-I93 HydrophobicContact SD-CD1 3.63Å; V72-I93 HydrophobicContact CG2-CD1 4.21Å; V72-I93 HydrophobicContact CG2-CG1 3.95Å; G89-I93 WeakPolarHBondContact O-CG1 3.23Å; G89-I93 PolarHBondContact O-N 3.15Å; L90-I93 PolarHBondContact O-N 3.35Å; I93-A95 PolarHBondContact O-N 2.93Å; I93-T96 WeakPolarHBondContact O-CA 3.29Å; I93-T96 WeakPolarHBondContact O-CB 3.36Å; I93-T96 PolarHBondContact O-N 3.17Å; I93-T96 VanDerWaalsContact O-N 3.11Å; I93-L97 HydrophobicContact CG2-CD1 3.92Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 3.45Å; I93-V107 HydrophobicContact CD1-CG1 3.87Å; I93-V107 HydrophobicContact CD1-CG2 4.33Å; I93-V107 HydrophobicContact CG2-CG2 4.11Å |
| 94 | R | 91.6 | Very high | 89.6 | Confident | 75 Ų | 75 | 56.5 Ų | 56.5 | 28% | 0.283 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -56.4 | -50.2 | 177.6 | -178.1 | -169 | -177.5 | 178.4 | 7.5 | 112.4 | L90 E91 F92 T96 L97 L98 E125 | L90-R94 WeakPolarHBondContact O-CB 3.28Å; L90-R94 PolarHBondContact O-N 3.46Å; E91-R94 WeakPolarHBondContact O-CB 3.38Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 WeakPolarHBondContact OE2-CD 3.33Å; E91-R94 IonicContact OE2-NH1 2.97Å; E91-R94 PolarHBondContact OE2-NH1 2.82Å; F92-R94 VanDerWaalsContact C-N 3.33Å; F92-R94 PolarHBondContact O-N 3.09Å; R94-T96 PolarHBondContact O-N 2.98Å; R94-L97 PolarHBondContact O-N 2.92Å; R94-L98 HydrophobicContact CG-CD1 4.32Å; R94-L98 WeakPolarHBondContact O-CG 3.38Å; R94-L98 PolarHBondContact O-N 3.41Å; R94-E125 IonicContact NH2-OE1 3.63Å; R94-E125 PolarHBondContact NH2-OE1 2.75Å |
| 95 | A | 92.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 53 Ų | 53 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E91 F92 I93 L98 A99 | E91-A95 WeakPolarHBondContact O-CB 3.46Å; E91-A95 PolarHBondContact O-N 3.46Å; F92-A95 PolarHBondContact O-N 3.27Å; I93-A95 PolarHBondContact O-N 2.93Å; A95-L98 PolarHBondContact O-N 2.91Å; A95-A99 WeakPolarHBondContact O-CB 3.28Å; A95-A99 PolarHBondContact O-N 2.87Å |
| 96 | T | 91.1 | Very high | 89.2 | Confident | 22 Ų | 22 | 53 Ų | 53 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 176 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | Y5 F92 I93 R94 L98 A99 R100 | Y5-T96 WeakPolarHBondContact OH-CG2 2.99Å; F92-T96 WeakPolarHBondContact O-CB 3.25Å; F92-T96 PolarHBondContact O-N 3.49Å; F92-T96 PolarHBondContact O-OG1 2.85Å; I93-T96 WeakPolarHBondContact O-CA 3.29Å; I93-T96 WeakPolarHBondContact O-CB 3.36Å; I93-T96 PolarHBondContact O-N 3.17Å; I93-T96 VanDerWaalsContact O-N 3.11Å; R94-T96 PolarHBondContact O-N 2.98Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.45Å; T96-A99 PolarHBondContact O-N 2.99Å; T96-R100 PolarHBondContact O-N 3.4Å |
| 97 | L | 87.6 | Confident | 89.2 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -32.2 | 178 | -65.9 | 176.7 | 0 | 0 | 0 | 112.4 | Y5 I93 R94 R100 P101 V102 A105 A131 | Y5-L97 HydrophobicContact CE2-CD2 3.97Å; I93-L97 HydrophobicContact CG2-CD1 3.92Å; I93-L97 HydrophobicContact CG2-CG 4.22Å; I93-L97 WeakPolarHBondContact O-CG 3.36Å; I93-L97 PolarHBondContact O-N 3.45Å; R94-L97 PolarHBondContact O-N 2.92Å; L97-R100 CarbonylContact O-C 3.52Å; L97-P101 VanDerWaalsContact O-CA 3.25Å; L97-P101 WeakPolarHBondContact O-CA 3.36Å; L97-V102 HydrophobicContact CD2-CG2 3.36Å; L97-A105 HydrophobicContact CD1-CB 4.2Å; L97-A105 HydrophobicContact CD2-CB 3.79Å; L97-A131 HydrophobicContact CD1-CB 4.45Å |
| 98 | L | 87.3 | Confident | 89.2 | Confident | 116 Ų | 116 | 50.4 Ų | 50.4 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.8 | -39.9 | 174.2 | -71.3 | 172.7 | 0 | 0 | 0 | 112.4 | R94 A95 T96 | R94-L98 HydrophobicContact CG-CD1 4.32Å; R94-L98 WeakPolarHBondContact O-CG 3.38Å; R94-L98 PolarHBondContact O-N 3.41Å; A95-L98 PolarHBondContact O-N 2.91Å; T96-L98 VanDerWaalsContact C-N 3.28Å; T96-L98 PolarHBondContact O-N 3.45Å |
| 99 | A | 87.6 | Confident | 89.3 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 65% | 0.653 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -76.6 | -33.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A95 T96 | A95-A99 WeakPolarHBondContact O-CB 3.28Å; A95-A99 PolarHBondContact O-N 2.87Å; T96-A99 PolarHBondContact O-N 2.99Å |
| 100 | R | 82.3 | Confident | 89.3 | Confident | 180 Ų | 180 | 48.9 Ų | 48.9 | 68% | 0.679 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -132.2 | 84.4 | 177.9 | -74.3 | -178.5 | -87.5 | -179.2 | -5.9 | 108 | T96 L97 V102 | T96-R100 PolarHBondContact O-N 3.4Å; L97-R100 CarbonylContact O-C 3.52Å; R100-V102 PolarHBondContact O-N 3.27Å |
| 101 | P | 72.6 | Confident | 89.3 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 69% | 0.688 | 27% | 0.27 | S | S | * | . | trans | -56.8 | 111.2 | 174.4 | -22 | 33.1 | 0 | 0 | 0 | 108.5 | L97 | L97-P101 VanDerWaalsContact O-CA 3.25Å; L97-P101 WeakPolarHBondContact O-CA 3.36Å | ||
| 102 | V | 69.1 | Low | 89.3 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 35% | 0.352 | 26% | 0.257 | S | S | . | . | trans | -91.9 | 140.4 | 161.4 | -66.3 | 0 | 0 | 0 | 0 | 106.4 | E3 L97 R100 V104 A105 | E3-V102 HydrophobicContact CG-CG1 4.31Å; L97-V102 HydrophobicContact CD2-CG2 3.36Å; R100-V102 PolarHBondContact O-N 3.27Å; V102-V104 PolarHBondContact O-N 3.19Å; V102-V104 VanDerWaalsContact O-N 3.11Å; V102-A105 HydrophobicContact CG2-CB 4.05Å | ||
| 103 | D | 66.6 | Low | 89.3 | Confident | 134 Ų | 134 | 46.4 Ų | 46.4 | 72% | 0.717 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -60.6 | -24.3 | 179.1 | -60.7 | -50 | 0 | 0 | 0 | 110.8 | ||
| 104 | V | 75.4 | Confident | 89.4 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | trans | -152.6 | 126.9 | -172.9 | -163.9 | 0 | 0 | 0 | 0 | 113.9 | V102 L222 Q226 | V102-V104 PolarHBondContact O-N 3.19Å; V102-V104 VanDerWaalsContact O-N 3.11Å; V104-L222 HydrophobicContact CB-CB 4.46Å; V104-L222 HydrophobicContact CG1-CB 3.33Å; V104-L222 HydrophobicContact CG1-CD1 3.34Å; V104-L222 HydrophobicContact CG1-CD2 3.43Å; V104-L222 VanDerWaalsContact CG1-CD2 3.43Å; V104-L222 HydrophobicContact CG1-CG 3.43Å; V104-L222 VanDerWaalsContact CG1-CG 3.43Å; V104-Q226 HydrophobicContact CG2-CB 3.65Å; V104-Q226 HydrophobicContact CG2-CG 3.89Å; V104-Q226 WeakPolarHBondContact CG2-O 3.44Å | ||
| 105 | A | 91.8 | Very high | 89.7 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y5 L97 V102 A131 A132 | Y5-A105 HydrophobicContact CD2-CB 4.47Å; Y5-A105 HydrophobicContact CE2-CB 4.3Å; L97-A105 HydrophobicContact CD1-CB 4.2Å; L97-A105 HydrophobicContact CD2-CB 3.79Å; V102-A105 HydrophobicContact CG2-CB 4.05Å; A105-A131 HydrophobicContact CB-CB 4.27Å; A105-A131 CarbonylContact O-C 3.22Å; A105-A131 WeakPolarHBondContact O-CA 3.41Å; A105-A132 PolarHBondContact O-N 3.42Å |
| 106 | V | 97.5 | Very high | 90 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 138.1 | 165.6 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | E3 V4 Y5 A132 V134 A215 A218 A219 L222 | E3-V106 PolarHBondContact O-N 2.72Å; V4-V106 CarbonylContact C-O 3.54Å; V4-V106 WeakPolarHBondContact CA-O 3.31Å; V4-V106 HydrophobicContact CG1-CB 4.3Å; V4-V106 HydrophobicContact CG1-CG1 4.29Å; V4-V106 HydrophobicContact CG2-CB 4.18Å; Y5-V106 PolarHBondContact N-O 3.1Å; V106-A132 CarbonylContact C-O 3.47Å; V106-A132 VanDerWaalsContact CA-O 3.28Å; V106-A132 WeakPolarHBondContact CA-O 3.33Å; V106-V134 HydrophobicContact CG1-CG2 4.15Å; V106-A215 HydrophobicContact CG1-CB 4.02Å; V106-A218 HydrophobicContact CG1-CB 4.43Å; V106-A218 HydrophobicContact CG2-CB 4.09Å; V106-A219 HydrophobicContact CG2-CB 4.43Å; V106-L222 HydrophobicContact CG2-CD1 3.56Å |
| 107 | V | 98.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.8 | 172.6 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | M7 L90 I93 L109 T126 A131 A132 V133 V134 | M7-V107 HydrophobicContact SD-CG1 4.14Å; L90-V107 HydrophobicContact CD2-CG1 4.27Å; I93-V107 HydrophobicContact CD1-CG1 3.87Å; I93-V107 HydrophobicContact CD1-CG2 4.33Å; I93-V107 HydrophobicContact CG2-CG2 4.11Å; V107-L109 HydrophobicContact CG1-CD2 3.75Å; V107-L109 HydrophobicContact CG1-CG 4.27Å; V107-T126 HydrophobicContact CG2-CG2 4.21Å; V107-A131 HydrophobicContact CG2-CB 4.21Å; V107-A132 PolarHBondContact N-O 2.93Å; V107-V133 HydrophobicContact CB-CG2 4.25Å; V107-V133 CarbonylContact O-C 3.58Å; V107-V133 WeakPolarHBondContact O-CA 3.48Å; V107-V134 PolarHBondContact O-N 3.22Å |
| 108 | L | 98.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.6 | 177.2 | 175.6 | 55.3 | 0 | 0 | 0 | 109.7 | V4 Y5 L6 M7 V56 P110 V134 A211 A212 A215 | V4-L108 HydrophobicContact CG1-CB 4.3Å; Y5-L108 PolarHBondContact O-N 3.19Å; L6-L108 HydrophobicContact CD1-CB 4.5Å; L6-L108 HydrophobicContact CD1-CD2 3.93Å; L6-L108 HydrophobicContact CD1-CG 4.12Å; M7-L108 PolarHBondContact N-O 3.05Å; M7-L108 VanDerWaalsContact N-O 3.09Å; V56-L108 HydrophobicContact CG2-CD2 3.79Å; L108-P110 HydrophobicContact CD1-CB 4.39Å; L108-P110 HydrophobicContact CG-CB 4.41Å; L108-P110 HydrophobicContact CG-CG 4.4Å; L108-P110 VanDerWaalsContact O-CD 3.26Å; L108-P110 WeakPolarHBondContact O-CD 3.48Å; L108-V134 WeakPolarHBondContact CA-O 3.44Å; L108-V134 HydrophobicContact CD1-CG1 4.49Å; L108-A211 HydrophobicContact CD1-CB 3.73Å; L108-A212 HydrophobicContact CD2-CB 3.99Å; L108-A215 HydrophobicContact CB-CB 4.15Å; L108-A215 HydrophobicContact CD1-CB 4.11Å; L108-A215 HydrophobicContact CD2-CB 4.06Å; L108-A215 HydrophobicContact CG-CB 4.33Å |
| 109 | L | 98.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 78.5 | 177.1 | -52.9 | -177 | 0 | 0 | 0 | 109.6 | M7 L90 V107 F111 V133 V134 A135 A136 P149 | M7-L109 HydrophobicContact CB-CD2 3.84Å; M7-L109 HydrophobicContact CE-CD2 4.2Å; M7-L109 HydrophobicContact CG-CD2 3.92Å; M7-L109 HydrophobicContact SD-CD2 3.27Å; M7-L109 WeakPolarHBondContact SD-CD2 3.47Å; L90-L109 HydrophobicContact CD2-CD2 4.44Å; V107-L109 HydrophobicContact CG1-CD2 3.75Å; V107-L109 HydrophobicContact CG1-CG 4.27Å; L109-F111 HydrophobicContact CB-CE1 4.1Å; L109-F111 HydrophobicContact CB-CZ 4.1Å; L109-F111 HydrophobicContact CD2-CE1 3.98Å; L109-F111 HydrophobicContact CD2-CZ 3.91Å; L109-F111 HydrophobicContact CG-CZ 4.44Å; L109-F111 PolarHBondContact O-N 2.98Å; L109-V133 HydrophobicContact CD1-CG1 3.62Å; L109-V133 HydrophobicContact CG-CG1 4.05Å; L109-V134 PolarHBondContact N-O 2.76Å; L109-A135 HydrophobicContact CB-CB 4.23Å; L109-A135 WeakPolarHBondContact O-CA 3.47Å; L109-A136 PolarHBondContact O-N 2.91Å; L109-P149 HydrophobicContact CB-CG 4.06Å; L109-P149 HydrophobicContact CD1-CB 4.11Å; L109-P149 HydrophobicContact CD1-CG 3.75Å |
| 110 | P | 98.4 | Very high | 92 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.019 | 27% | 0.272 | C | S | . | . | trans | -84.6 | 38.2 | -175.1 | 39.5 | -37.9 | 0 | 0 | 0 | 112 | L6 M7 D8 L52 L108 S208 | L6-P110 HydrophobicContact CD1-CG 3.87Å; M7-P110 WeakPolarHBondContact O-CD 3.19Å; D8-P110 HydrophobicContact CB-CG 4.28Å; D8-P110 WeakPolarHBondContact OD2-CG 3.48Å; L52-P110 HydrophobicContact CD1-CB 3.35Å; L52-P110 HydrophobicContact CD1-CG 3.47Å; L52-P110 VanDerWaalsContact CD1-CG 3.47Å; L108-P110 HydrophobicContact CD1-CB 4.39Å; L108-P110 HydrophobicContact CG-CB 4.41Å; L108-P110 HydrophobicContact CG-CG 4.4Å; L108-P110 VanDerWaalsContact O-CD 3.26Å; L108-P110 WeakPolarHBondContact O-CD 3.48Å; P110-S208 PolarHBondContact O-OG 3.45Å | ||
| 111 | F | 98 | Very high | 92.8 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | trans | -139.7 | 164.3 | 179.8 | 60.3 | -102.6 | 0 | 0 | 0 | 109.4 | M7 V74 L75 A86 L109 L119 | M7-F111 HydrophobicContact CB-CE1 3.8Å; M7-F111 HydrophobicContact CE-CZ 4.4Å; M7-F111 VanDerWaalsContact O-CD1 3.29Å; M7-F111 WeakPolarHBondContact O-CD1 3.45Å; M7-F111 WeakPolarHBondContact O-CE1 3.33Å; V74-F111 HydrophobicContact CG2-CD1 4.38Å; V74-F111 HydrophobicContact CG2-CE1 3.99Å; L75-F111 HydrophobicContact CD1-CB 4.37Å; L75-F111 HydrophobicContact CD2-CB 4.4Å; A86-F111 HydrophobicContact CB-CE2 4.19Å; A86-F111 HydrophobicContact CB-CZ 4.01Å; L109-F111 HydrophobicContact CB-CE1 4.1Å; L109-F111 HydrophobicContact CB-CZ 4.1Å; L109-F111 HydrophobicContact CD2-CE1 3.98Å; L109-F111 HydrophobicContact CD2-CZ 3.91Å; L109-F111 HydrophobicContact CG-CZ 4.44Å; L109-F111 PolarHBondContact O-N 2.98Å; F111-L119 HydrophobicContact CE2-CD2 4.49Å | ||
| 112 | I | 97.3 | Very high | 94 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.195 | 23% | 0.23 | C | C | . | . | trans | -149.4 | 152.5 | -179.5 | -163.9 | 160.1 | 0 | 0 | 0 | 111.1 | A137 Y140 Y147 A150 | I112-A137 VanDerWaalsContact CD1-C 3.46Å; I112-A137 WeakPolarHBondContact CD1-O 3.39Å; I112-Y140 HydrophobicContact CG2-CE2 3.63Å; I112-Y147 HydrophobicContact CD1-CD1 4.32Å; I112-Y147 HydrophobicContact CD1-CG 3.88Å; I112-Y147 HydrophobicContact CG1-CD1 4.23Å; I112-Y147 HydrophobicContact CG1-CG 4.17Å; I112-A150 HydrophobicContact CD1-CB 3.88Å | ||
| 113 | G | 96.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 178 | 169 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y147 S148 | G113-Y147 CarbonylContact O-C 3.58Å; G113-Y147 VanDerWaalsContact O-CA 3.24Å; G113-Y147 WeakPolarHBondContact O-CA 3.1Å; G113-Y147 WeakPolarHBondContact O-CB 3.18Å; G113-Y147 WeakPolarHBondContact O-CD1 3.13Å; G113-S148 PolarHBondContact N-O 3.28Å; G113-S148 PolarHBondContact O-N 3.4Å |
| 114 | G | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 37.1 Ų | 37.1 | 55% | 0.546 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 159.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S116 | G114-S116 PolarHBondContact O-N 3.2Å |
| 115 | F | 98.7 | Very high | 97.8 | Very high | 126 Ų | 126 | 39.7 Ų | 39.7 | 55% | 0.553 | 21% | 0.213 | S | C | * | . | trans | -45.5 | 127.2 | -178.5 | 177.1 | -92.6 | 0 | 0 | 0 | 112.8 | R117 L146 S151 | F115-R117 HydrophobicContact CE1-CB 4.3Å; F115-L146 WeakPolarHBondContact CB-O 3.27Å; F115-L146 PolarHBondContact N-O 3.16Å; F115-S151 WeakPolarHBondContact CD2-OG 3.35Å | ||
| 116 | S | 98.7 | Very high | 98 | Very high | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -137.4 | 106.6 | -177.9 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | G114 S118 L119 N120 S148 | G114-S116 PolarHBondContact O-N 3.2Å; S116-S118 PolarHBondContact O-N 3.06Å; S116-S118 PolarHBondContact OG-OG 2.93Å; S116-L119 PolarHBondContact O-N 3.49Å; S116-L119 WeakPolarHBondContact OG-CB 3.11Å; S116-L119 PolarHBondContact OG-N 3.5Å; S116-N120 WeakPolarHBondContact O-CB 3.26Å; S116-N120 PolarHBondContact O-N 3.21Å; S116-N120 PolarHBondContact O-OD1 2.6Å; S116-S148 PolarHBondContact N-OG 2.04Å; S116-S148 PolarHBondContact O-OG 2.88Å | ||
| 117 | R | 98.6 | Very high | 97.9 | Very high | 204 Ų | 204 | 40.6 Ų | 40.6 | 77% | 0.77 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -56.3 | -37.9 | 176.4 | 178.8 | -178.7 | -83.7 | -170.9 | -4.3 | 112.2 | F115 A121 | F115-R117 HydrophobicContact CE1-CB 4.3Å; R117-A121 VanDerWaalsContact O-CB 3.32Å; R117-A121 WeakPolarHBondContact O-CB 3.44Å; R117-A121 PolarHBondContact O-N 2.97Å |
| 118 | S | 98.5 | Very high | 97.6 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.1 | -41.9 | -178.5 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | S116 A121 A122 | S116-S118 PolarHBondContact O-N 3.06Å; S116-S118 PolarHBondContact OG-OG 2.93Å; S118-A121 PolarHBondContact O-N 3.38Å; S118-A122 PolarHBondContact O-N 2.74Å |
| 119 | L | 98.7 | Very high | 97.2 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 177.2 | -177.3 | 56.3 | 0 | 0 | 0 | 111.3 | V83 A86 L87 L90 F111 S116 A121 A122 C123 P149 | V83-L119 HydrophobicContact CG1-CB 4.36Å; A86-L119 HydrophobicContact CB-CD1 4.12Å; L87-L119 HydrophobicContact CD2-CD1 4.44Å; L90-L119 HydrophobicContact CD1-CD1 3.94Å; F111-L119 HydrophobicContact CE2-CD2 4.49Å; S116-L119 PolarHBondContact O-N 3.49Å; S116-L119 WeakPolarHBondContact OG-CB 3.11Å; S116-L119 PolarHBondContact OG-N 3.5Å; L119-A121 PolarHBondContact O-N 3.04Å; L119-A122 PolarHBondContact O-N 3.43Å; L119-C123 PolarHBondContact O-N 3.48Å; L119-C123 PolarHBondContact O-SG 3.33Å; L119-P149 HydrophobicContact CD2-CB 4.41Å; L119-P149 HydrophobicContact CG-CB 4.38Å |
| 120 | N | 98.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 174.5 | -79.3 | 24.2 | 0 | 0 | 0 | 111.4 | S116 A122 C123 R124 S148 S151 E152 | S116-N120 WeakPolarHBondContact O-CB 3.26Å; S116-N120 PolarHBondContact O-N 3.21Å; S116-N120 PolarHBondContact O-OD1 2.6Å; N120-A122 VanDerWaalsContact C-N 3.32Å; N120-A122 PolarHBondContact O-N 3.32Å; N120-C123 PolarHBondContact O-N 3.32Å; N120-R124 PolarHBondContact O-N 3.44Å; N120-S148 VanDerWaalsContact OD1-CB 3.23Å; N120-S148 WeakPolarHBondContact OD1-CB 3.48Å; N120-S148 PolarHBondContact OD1-OG 3.19Å; N120-S151 PolarHBondContact ND2-OG 3.27Å; N120-E152 VanDerWaalsContact C-OE2 3.29Å; N120-E152 HydrophobicContact CB-CB 4.01Å; N120-E152 HydrophobicContact CB-CG 4.44Å; N120-E152 VanDerWaalsContact CB-OE2 3.27Å; N120-E152 WeakPolarHBondContact CB-OE2 3.41Å; N120-E152 WeakPolarHBondContact O-CG 3.44Å; N120-E152 VanDerWaalsContact O-OE2 3.13Å |
| 121 | A | 98.5 | Very high | 96.6 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -38.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R117 S118 L119 E125 | R117-A121 VanDerWaalsContact O-CB 3.32Å; R117-A121 WeakPolarHBondContact O-CB 3.44Å; R117-A121 PolarHBondContact O-N 2.97Å; S118-A121 PolarHBondContact O-N 3.38Å; L119-A121 PolarHBondContact O-N 3.04Å; A121-E125 PolarHBondContact O-N 2.98Å |
| 122 | A | 98.3 | Very high | 96.5 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.3 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L87 L90 S118 L119 N120 E125 T126 | L87-A122 HydrophobicContact CD2-CB 3.38Å; L90-A122 HydrophobicContact CD1-CB 3.77Å; S118-A122 PolarHBondContact O-N 2.74Å; L119-A122 PolarHBondContact O-N 3.43Å; N120-A122 VanDerWaalsContact C-N 3.32Å; N120-A122 PolarHBondContact O-N 3.32Å; A122-E125 PolarHBondContact O-N 3.4Å; A122-T126 WeakPolarHBondContact O-CB 3.39Å; A122-T126 PolarHBondContact O-N 3.25Å; A122-T126 PolarHBondContact O-OG1 2.93Å |
| 123 | C | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 174.7 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | L119 N120 E125 T126 V127 E152 V155 | L119-C123 PolarHBondContact O-N 3.48Å; L119-C123 PolarHBondContact O-SG 3.33Å; N120-C123 PolarHBondContact O-N 3.32Å; C123-E125 PolarHBondContact O-N 2.83Å; C123-T126 WeakPolarHBondContact O-CA 3.16Å; C123-T126 VanDerWaalsContact O-CB 3.3Å; C123-T126 WeakPolarHBondContact O-CB 3.41Å; C123-T126 PolarHBondContact O-N 2.64Å; C123-V127 WeakPolarHBondContact O-CG2 3.38Å; C123-V127 PolarHBondContact O-N 3.45Å; C123-E152 HydrophobicContact CB-CG 4.21Å; C123-V155 HydrophobicContact CB-CG2 3.5Å |
| 124 | R | 97.4 | Very high | 96.7 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 46% | 0.464 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.4 | -44.2 | 174.4 | 176.2 | 171.7 | 54.5 | -171.9 | -10.9 | 113.4 | N120 T126 V127 A128 E152 E154 | N120-R124 PolarHBondContact O-N 3.44Å; R124-T126 VanDerWaalsContact C-N 3.29Å; R124-T126 PolarHBondContact O-N 2.81Å; R124-V127 PolarHBondContact O-N 3.25Å; R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 3.1Å; R124-E152 HydrophobicContact CB-CG 4.27Å; R124-E154 HydrophobicContact CG-CG 4.14Å |
| 125 | E | 95.7 | Very high | 96.7 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 32% | 0.322 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 175.6 | -179.9 | 64.8 | -167.2 | 0 | 0 | 111 | R94 A121 A122 C123 V127 A128 R129 | R94-E125 IonicContact NH2-OE1 3.63Å; R94-E125 PolarHBondContact NH2-OE1 2.75Å; A121-E125 PolarHBondContact O-N 2.98Å; A122-E125 PolarHBondContact O-N 3.4Å; C123-E125 PolarHBondContact O-N 2.83Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.25Å; E125-A128 PolarHBondContact O-N 3.03Å; E125-R129 VanDerWaalsContact O-CG 3.27Å; E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.35Å; E125-R129 VanDerWaalsContact O-N 3.15Å; E125-R129 IonicContact OE1-CZ 3.95Å; E125-R129 IonicContact OE1-NE 2.76Å; E125-R129 PolarHBondContact OE1-NE 3.43Å; E125-R129 IonicContact OE1-NH2 3.09Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å |
| 126 | T | 95.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -43.4 | 175.7 | -56 | 0 | 0 | 0 | 0 | 111 | L90 V107 A122 C123 R124 R129 A131 V133 | L90-T126 HydrophobicContact CD2-CG2 4.41Å; V107-T126 HydrophobicContact CG2-CG2 4.21Å; A122-T126 WeakPolarHBondContact O-CB 3.39Å; A122-T126 PolarHBondContact O-N 3.25Å; A122-T126 PolarHBondContact O-OG1 2.93Å; C123-T126 WeakPolarHBondContact O-CA 3.16Å; C123-T126 VanDerWaalsContact O-CB 3.3Å; C123-T126 WeakPolarHBondContact O-CB 3.41Å; C123-T126 PolarHBondContact O-N 2.64Å; R124-T126 VanDerWaalsContact C-N 3.29Å; R124-T126 PolarHBondContact O-N 2.81Å; T126-R129 PolarHBondContact O-N 3.11Å; T126-A131 HydrophobicContact CG2-CB 3.98Å; T126-A131 PolarHBondContact O-N 3.42Å; T126-V133 HydrophobicContact CG2-CG2 3.74Å |
| 127 | V | 95.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 39 Ų | 39 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | C123 R124 E125 R129 G130 A131 V133 E154 P230 | C123-V127 WeakPolarHBondContact O-CG2 3.38Å; C123-V127 PolarHBondContact O-N 3.45Å; R124-V127 PolarHBondContact O-N 3.25Å; E125-V127 VanDerWaalsContact C-N 3.34Å; E125-V127 PolarHBondContact O-N 3.25Å; V127-R129 PolarHBondContact O-N 2.94Å; V127-R129 VanDerWaalsContact O-N 3.08Å; V127-G130 PolarHBondContact O-N 3.37Å; V127-A131 WeakPolarHBondContact CA-O 3.44Å; V127-V133 HydrophobicContact CG2-CB 3.89Å; V127-V133 HydrophobicContact CG2-CG2 3.54Å; V127-E154 HydrophobicContact CB-CB 4.13Å; V127-E154 HydrophobicContact CG1-CB 4.05Å; V127-E154 HydrophobicContact CG2-CB 4.19Å; V127-E154 WeakPolarHBondContact CG2-O 3.41Å; V127-P230 HydrophobicContact CG1-CB 3.71Å; V127-P230 HydrophobicContact CG1-CG 4.05Å |
| 128 | A | 92.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 29.3 Ų | 29.3 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -61.7 | -18.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R124 E125 G130 | R124-A128 WeakPolarHBondContact O-CB 3.43Å; R124-A128 PolarHBondContact O-N 3.1Å; E125-A128 PolarHBondContact O-N 3.03Å; A128-G130 VanDerWaalsContact C-N 3.35Å |
| 129 | R | 90.6 | Very high | 96.7 | Very high | 147 Ų | 147 | 28.8 Ų | 28.8 | 56% | 0.555 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 3.9 | 173.3 | -63.2 | -67.6 | 172.7 | -178 | -4.8 | 113.9 | E125 T126 V127 | E125-R129 VanDerWaalsContact O-CG 3.27Å; E125-R129 WeakPolarHBondContact O-CG 3.46Å; E125-R129 PolarHBondContact O-N 3.35Å; E125-R129 VanDerWaalsContact O-N 3.15Å; E125-R129 IonicContact OE1-CZ 3.95Å; E125-R129 IonicContact OE1-NE 2.76Å; E125-R129 PolarHBondContact OE1-NE 3.43Å; E125-R129 IonicContact OE1-NH2 3.09Å; E125-R129 PolarHBondContact OE1-NH2 2.87Å; T126-R129 PolarHBondContact O-N 3.11Å; V127-R129 PolarHBondContact O-N 2.94Å; V127-R129 VanDerWaalsContact O-N 3.08Å |
| 130 | G | 90.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 44% | 0.443 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | V127 A128 | V127-G130 PolarHBondContact O-N 3.37Å; A128-G130 VanDerWaalsContact C-N 3.35Å |
| 131 | A | 93.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | trans | -83.1 | 135.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L97 A105 V107 T126 V127 V133 P230 | L97-A131 HydrophobicContact CD1-CB 4.45Å; A105-A131 HydrophobicContact CB-CB 4.27Å; A105-A131 CarbonylContact O-C 3.22Å; A105-A131 WeakPolarHBondContact O-CA 3.41Å; V107-A131 HydrophobicContact CG2-CB 4.21Å; T126-A131 HydrophobicContact CG2-CB 3.98Å; T126-A131 PolarHBondContact O-N 3.42Å; V127-A131 WeakPolarHBondContact CA-O 3.44Å; A131-V133 PolarHBondContact O-N 3.25Å; A131-P230 WeakPolarHBondContact O-CG 3.36Å | ||
| 132 | A | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 111.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | A105 V106 V107 L222 | A105-A132 PolarHBondContact O-N 3.42Å; V106-A132 CarbonylContact C-O 3.47Å; V106-A132 VanDerWaalsContact CA-O 3.28Å; V106-A132 WeakPolarHBondContact CA-O 3.33Å; V107-A132 PolarHBondContact N-O 2.93Å; A132-L222 HydrophobicContact CB-CD1 4.2Å |
| 133 | V | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.1 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | V107 L109 T126 V127 A131 V155 I156 | V107-V133 HydrophobicContact CB-CG2 4.25Å; V107-V133 CarbonylContact O-C 3.58Å; V107-V133 WeakPolarHBondContact O-CA 3.48Å; L109-V133 HydrophobicContact CD1-CG1 3.62Å; L109-V133 HydrophobicContact CG-CG1 4.05Å; T126-V133 HydrophobicContact CG2-CG2 3.74Å; V127-V133 HydrophobicContact CG2-CB 3.89Å; V127-V133 HydrophobicContact CG2-CG2 3.54Å; A131-V133 PolarHBondContact O-N 3.25Å; V133-V155 HydrophobicContact CB-CG1 4.47Å; V133-V155 HydrophobicContact CB-CG2 4.15Å; V133-V155 HydrophobicContact CG1-CG1 4Å; V133-V155 HydrophobicContact CG1-CG2 3.91Å; V133-I156 PolarHBondContact O-N 3.3Å |
| 134 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.2 | 179.7 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V106 V107 L108 L109 I156 V158 A211 A214 A215 | V106-V134 HydrophobicContact CG1-CG2 4.15Å; V107-V134 PolarHBondContact O-N 3.22Å; L108-V134 WeakPolarHBondContact CA-O 3.44Å; L108-V134 HydrophobicContact CD1-CG1 4.49Å; L109-V134 PolarHBondContact N-O 2.76Å; V134-I156 CarbonylContact C-O 3.57Å; V134-I156 WeakPolarHBondContact CA-O 3.49Å; V134-I156 HydrophobicContact CG2-CB 4.25Å; V134-I156 HydrophobicContact CG2-CD1 4.29Å; V134-V158 HydrophobicContact CG1-CG2 3.82Å; V134-A211 HydrophobicContact CG1-CB 4.27Å; V134-A211 WeakPolarHBondContact CG1-O 3.49Å; V134-A214 HydrophobicContact CG1-CB 3.91Å; V134-A215 HydrophobicContact CB-CB 4.32Å; V134-A215 HydrophobicContact CG1-CB 4.44Å; V134-A215 HydrophobicContact CG2-CB 4.36Å |
| 135 | A | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L109 P149 V155 I156 V158 | L109-A135 HydrophobicContact CB-CB 4.23Å; L109-A135 WeakPolarHBondContact O-CA 3.47Å; A135-P149 HydrophobicContact CB-CB 4.47Å; A135-P149 HydrophobicContact CB-CG 3.65Å; A135-V155 HydrophobicContact CB-CG1 3.51Å; A135-I156 PolarHBondContact N-O 3.28Å; A135-V158 PolarHBondContact O-N 2.82Å |
| 136 | A | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 137 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | L109 G138 A211 | L109-A136 PolarHBondContact O-N 2.91Å; A136-G138 VanDerWaalsContact C-N 3.3Å; A136-G138 PolarHBondContact O-N 3.24Å; A136-A211 HydrophobicContact CB-CB 4.34Å |
| 137 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -69.6 | -25.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I112 T157 V158 N176 V181 T207 | I112-A137 VanDerWaalsContact CD1-C 3.46Å; I112-A137 WeakPolarHBondContact CD1-O 3.39Å; A137-T157 HydrophobicContact CB-CG2 3.89Å; A137-V158 VanDerWaalsContact CB-O 3.29Å; A137-V158 WeakPolarHBondContact CB-O 3.38Å; A137-V158 PolarHBondContact N-O 2.84Å; A137-N176 HydrophobicContact CB-CB 4.19Å; A137-N176 VanDerWaalsContact O-CB 3.24Å; A137-N176 WeakPolarHBondContact O-CB 3.4Å; A137-N176 PolarHBondContact O-ND2 3.48Å; A137-V181 HydrophobicContact CB-CG2 3.91Å; A137-T207 HydrophobicContact CB-CG2 4.26Å | ||
| 138 | G | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 109.5 | 159.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A136 T175 N176 T207 | A136-G138 VanDerWaalsContact C-N 3.3Å; A136-G138 PolarHBondContact O-N 3.24Å; G138-T175 CarbonylContact O-C 3.53Å; G138-N176 PolarHBondContact O-N 3.43Å; G138-T207 WeakPolarHBondContact CA-OG1 3.42Å; G138-T207 PolarHBondContact N-OG1 2.89Å; G138-T207 VanDerWaalsContact N-OG1 3.09Å; G138-T207 VanDerWaalsContact O-CG2 3.27Å; G138-T207 WeakPolarHBondContact O-CG2 3.4Å; G138-T207 PolarHBondContact O-OG1 3.29Å | ||
| 139 | N | 98.1 | Very high | 97.3 | Very high | 49 Ų | 49 | 36 Ų | 36 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -112.8 | 31.6 | -171.9 | -60.4 | -27.6 | 0 | 0 | 0 | 113 | G174 T207 | N139-G174 CarbonylContact C-O 3.59Å; N139-G174 WeakPolarHBondContact CA-O 3.4Å; N139-G174 PolarHBondContact O-N 3.48Å; N139-T207 WeakPolarHBondContact OD1-CB 3.24Å; N139-T207 WeakPolarHBondContact OD1-CG2 3.27Å; N139-T207 PolarHBondContact OD1-N 3.26Å; N139-T207 PolarHBondContact OD1-OG1 3.34Å |
| 140 | Y | 97.5 | Very high | 97.7 | Very high | 108 Ų | 108 | 29 Ų | 29 | 42% | 0.424 | 15% | 0.145 | S | C | . | . | B | Isolated β-bridge | trans | -104.2 | -6.2 | -171.6 | -53.4 | -74.5 | 0 | 0 | 0 | 114.6 | I112 E142 Y147 G174 N176 | I112-Y140 HydrophobicContact CG2-CE2 3.63Å; Y140-E142 PolarHBondContact O-N 2.87Å; Y140-Y147 VanDerWaalsContact CB-OH 3.27Å; Y140-Y147 WeakPolarHBondContact CB-OH 3.33Å; Y140-Y147 HydrophobicContact CD2-CD1 4.02Å; Y140-Y147 AromaticContact CD2-CE1 3.36Å; Y140-Y147 HydrophobicContact CD2-CE1 3.36Å; Y140-Y147 HydrophobicContact CD2-CE2 4.09Å; Y140-Y147 AromaticContact CD2-CZ 3.4Å; Y140-Y147 WeakPolarHBondContact CD2-OH 3.09Å; Y140-Y147 AromaticContact CE2-CD1 3.89Å; Y140-Y147 HydrophobicContact CE2-CD1 3.89Å; Y140-Y147 AromaticContact CE2-CE1 3.49Å; Y140-Y147 HydrophobicContact CE2-CE1 3.49Å; Y140-Y147 VanDerWaalsContact CE2-CE1 3.49Å; Y140-Y147 HydrophobicContact CG-CE1 4.05Å; Y140-Y147 AromaticContact CG-CZ 3.82Å; Y140-G174 PolarHBondContact N-O 2.02Å; Y140-N176 WeakPolarHBondContact CA-OD1 3.28Å; Y140-N176 WeakPolarHBondContact CB-OD1 3.04Å; Y140-N176 PolarHBondContact N-OD1 3.24Å |
| 141 | R | 96.8 | Very high | 98.1 | Very high | 132 Ų | 132 | 27.7 Ų | 27.7 | 50% | 0.498 | 13% | 0.129 | S | C | . | . | S | Bend | trans | 56.7 | 40.1 | -171.8 | -163.6 | -178.8 | 172 | 175.6 | -1.1 | 111.7 | G174 N176 F177 | R141-G174 PolarHBondContact N-O 3.19Å; R141-N176 PolarHBondContact N-OD1 2.97Å; R141-N176 VanDerWaalsContact N-OD1 3.13Å; R141-F177 HydrophobicContact CG-CE1 3.96Å; R141-F177 WeakPolarHBondContact O-CE1 3.02Å; R141-F177 VanDerWaalsContact O-CZ 3.24Å; R141-F177 WeakPolarHBondContact O-CZ 3.08Å |
| 142 | E | 97.1 | Very high | 98.3 | Very high | 91 Ų | 91 | 28.2 Ų | 28.2 | 43% | 0.425 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -124.4 | 176.8 | -179 | -72.9 | -169.9 | -159.1 | 0 | 0 | 111.7 | Y140 A144 Y147 N176 F177 | Y140-E142 PolarHBondContact O-N 2.87Å; E142-A144 PolarHBondContact O-N 3.35Å; E142-Y147 HydrophobicContact CB-CE2 3.87Å; E142-Y147 VanDerWaalsContact CD-OH 3.23Å; E142-Y147 PolarHBondContact OE2-OH 3Å; E142-N176 PolarHBondContact N-OD1 2.83Å; E142-N176 VanDerWaalsContact N-OD1 3.08Å; E142-N176 VanDerWaalsContact O-CA 3.24Å; E142-N176 WeakPolarHBondContact O-CA 3.39Å; E142-N176 VanDerWaalsContact O-CB 3.27Å; E142-N176 WeakPolarHBondContact O-CB 3.19Å; E142-F177 PolarHBondContact O-N 3.17Å |
| 143 | D | 98.3 | Very high | 98.4 | Very high | 41 Ų | 41 | 31.8 Ų | 31.8 | 22% | 0.219 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -66.7 | 118.4 | 172 | -177.4 | -3.5 | 0 | 0 | 0 | 110 | C145 L146 Y147 | D143-C145 PolarHBondContact O-N 2.96Å; D143-C145 VanDerWaalsContact O-N 3.12Å; D143-C145 VanDerWaalsContact OD1-CB 3.28Å; D143-C145 WeakPolarHBondContact OD1-CB 3.35Å; D143-C145 PolarHBondContact OD1-N 3.36Å; D143-C145 PolarHBondContact OD1-SG 3.49Å; D143-C145 VanDerWaalsContact OD1-SG 3.38Å; D143-L146 HydrophobicContact CB-CD1 4.34Å; D143-L146 HydrophobicContact CB-CG 4.26Å; D143-L146 WeakPolarHBondContact O-CB 3.38Å; D143-L146 PolarHBondContact O-N 2.93Å; D143-Y147 WeakPolarHBondContact O-CD2 3.48Å |
| 144 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.3 | -24.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E142 L146 Y147 A150 N176 F177 C180 V181 | E142-A144 PolarHBondContact O-N 3.35Å; A144-L146 PolarHBondContact O-N 3.48Å; A144-L146 VanDerWaalsContact O-N 3.15Å; A144-Y147 PolarHBondContact O-N 3.4Å; A144-Y147 VanDerWaalsContact O-N 3.11Å; A144-A150 HydrophobicContact CB-CB 4.37Å; A144-N176 HydrophobicContact CB-CB 4.06Å; A144-F177 PolarHBondContact N-O 3.13Å; A144-C180 HydrophobicContact CB-CB 4.2Å; A144-V181 HydrophobicContact CB-CG2 3.74Å |
| 145 | C | 98.6 | Very high | 98.3 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.115 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -64.5 | -16.1 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | D143 Y147 S151 R179 C180 | D143-C145 PolarHBondContact O-N 2.96Å; D143-C145 VanDerWaalsContact O-N 3.12Å; D143-C145 VanDerWaalsContact OD1-CB 3.28Å; D143-C145 WeakPolarHBondContact OD1-CB 3.35Å; D143-C145 PolarHBondContact OD1-N 3.36Å; D143-C145 PolarHBondContact OD1-SG 3.49Å; D143-C145 VanDerWaalsContact OD1-SG 3.38Å; C145-Y147 PolarHBondContact O-N 2.95Å; C145-S151 VanDerWaalsContact O-CB 3.3Å; C145-S151 WeakPolarHBondContact O-CB 3.27Å; C145-R179 WeakPolarHBondContact SG-CG 3.05Å; C145-C180 WeakPolarHBondContact CA-SG 3.34Å; C145-C180 HydrophobicContact CB-CB 4.07Å; C145-C180 WeakPolarHBondContact CB-SG 3.47Å; C145-C180 WeakPolarHBondContact SG-CB 3.41Å; C145-C180 CovalentContact SG-SG 2.04Å; C145-C180 PolarHBondContact SG-SG 3.44Å |
| 146 | L | 98.6 | Very high | 98.3 | Very high | 97 Ų | 97 | 33.4 Ų | 33.4 | 51% | 0.508 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -81.4 | -2.9 | 176.4 | -59.2 | 178.6 | 0 | 0 | 0 | 113.5 | F115 D143 A144 | F115-L146 WeakPolarHBondContact CB-O 3.27Å; F115-L146 PolarHBondContact N-O 3.16Å; D143-L146 HydrophobicContact CB-CD1 4.34Å; D143-L146 HydrophobicContact CB-CG 4.26Å; D143-L146 WeakPolarHBondContact O-CB 3.38Å; D143-L146 PolarHBondContact O-N 2.93Å; A144-L146 PolarHBondContact O-N 3.48Å; A144-L146 VanDerWaalsContact O-N 3.15Å |
| 147 | Y | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 9% | 0.09 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 157.3 | -170.6 | -60.7 | -87.2 | 0 | 0 | 0 | 112.4 | I112 G113 Y140 E142 D143 A144 C145 S151 N176 | I112-Y147 HydrophobicContact CD1-CD1 4.32Å; I112-Y147 HydrophobicContact CD1-CG 3.88Å; I112-Y147 HydrophobicContact CG1-CD1 4.23Å; I112-Y147 HydrophobicContact CG1-CG 4.17Å; G113-Y147 CarbonylContact O-C 3.58Å; G113-Y147 VanDerWaalsContact O-CA 3.24Å; G113-Y147 WeakPolarHBondContact O-CA 3.1Å; G113-Y147 WeakPolarHBondContact O-CB 3.18Å; G113-Y147 WeakPolarHBondContact O-CD1 3.13Å; Y140-Y147 VanDerWaalsContact CB-OH 3.27Å; Y140-Y147 WeakPolarHBondContact CB-OH 3.33Å; Y140-Y147 HydrophobicContact CD2-CD1 4.02Å; Y140-Y147 AromaticContact CD2-CE1 3.36Å; Y140-Y147 HydrophobicContact CD2-CE1 3.36Å; Y140-Y147 HydrophobicContact CD2-CE2 4.09Å; Y140-Y147 AromaticContact CD2-CZ 3.4Å; Y140-Y147 WeakPolarHBondContact CD2-OH 3.09Å; Y140-Y147 AromaticContact CE2-CD1 3.89Å; Y140-Y147 HydrophobicContact CE2-CD1 3.89Å; Y140-Y147 AromaticContact CE2-CE1 3.49Å; Y140-Y147 HydrophobicContact CE2-CE1 3.49Å; Y140-Y147 VanDerWaalsContact CE2-CE1 3.49Å; Y140-Y147 HydrophobicContact CG-CE1 4.05Å; Y140-Y147 AromaticContact CG-CZ 3.82Å; E142-Y147 HydrophobicContact CB-CE2 3.87Å; E142-Y147 VanDerWaalsContact CD-OH 3.23Å; E142-Y147 PolarHBondContact OE2-OH 3Å; D143-Y147 WeakPolarHBondContact O-CD2 3.48Å; A144-Y147 PolarHBondContact O-N 3.4Å; A144-Y147 VanDerWaalsContact O-N 3.11Å; C145-Y147 PolarHBondContact O-N 2.95Å; Y147-S151 WeakPolarHBondContact O-CB 3.41Å; Y147-S151 PolarHBondContact O-N 3.04Å; Y147-S151 PolarHBondContact O-OG 2.96Å; Y147-N176 VanDerWaalsContact CD2-ND2 3.3Å; Y147-N176 WeakPolarHBondContact CD2-ND2 3.31Å; Y147-N176 VanDerWaalsContact CE2-ND2 3.33Å; Y147-N176 WeakPolarHBondContact CE2-ND2 3.49Å |
| 148 | S | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 141.1 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 110.4 | G113 S116 N120 S151 | G113-S148 PolarHBondContact N-O 3.28Å; G113-S148 PolarHBondContact O-N 3.4Å; S116-S148 PolarHBondContact N-OG 2.04Å; S116-S148 PolarHBondContact O-OG 2.88Å; N120-S148 VanDerWaalsContact OD1-CB 3.23Å; N120-S148 WeakPolarHBondContact OD1-CB 3.48Å; N120-S148 PolarHBondContact OD1-OG 3.19Å; S148-S151 PolarHBondContact OG-OG 2.85Å |
| 149 | P | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -83.7 | 0.2 | 8.9 | 33.5 | -35.7 | 0 | 0 | 0 | 115.8 | L109 L119 A135 S151 E152 | L109-P149 HydrophobicContact CB-CG 4.06Å; L109-P149 HydrophobicContact CD1-CB 4.11Å; L109-P149 HydrophobicContact CD1-CG 3.75Å; L119-P149 HydrophobicContact CD2-CB 4.41Å; L119-P149 HydrophobicContact CG-CB 4.38Å; A135-P149 HydrophobicContact CB-CB 4.47Å; A135-P149 HydrophobicContact CB-CG 3.65Å; P149-S151 PolarHBondContact O-N 3.48Å; P149-E152 PolarHBondContact O-N 2.83Å |
| 150 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -27.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | I112 A144 T157 | I112-A150 HydrophobicContact CD1-CB 3.88Å; A144-A150 HydrophobicContact CB-CB 4.37Å; A150-T157 HydrophobicContact CB-CG2 3.69Å; A150-T157 PolarHBondContact O-OG1 3.05Å; A150-T157 VanDerWaalsContact O-OG1 3.12Å |
| 151 | S | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 26 Ų | 26 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -5.2 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 115.2 | F115 N120 C145 Y147 S148 P149 P153 | F115-S151 WeakPolarHBondContact CD2-OG 3.35Å; N120-S151 PolarHBondContact ND2-OG 3.27Å; C145-S151 VanDerWaalsContact O-CB 3.3Å; C145-S151 WeakPolarHBondContact O-CB 3.27Å; Y147-S151 WeakPolarHBondContact O-CB 3.41Å; Y147-S151 PolarHBondContact O-N 3.04Å; Y147-S151 PolarHBondContact O-OG 2.96Å; S148-S151 PolarHBondContact OG-OG 2.85Å; P149-S151 PolarHBondContact O-N 3.48Å; S151-P153 VanDerWaalsContact O-CD 3.32Å; S151-P153 WeakPolarHBondContact O-CD 3.26Å |
| 152 | E | 98.6 | Very high | 98.5 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 6% | 0.061 | 12% | 0.115 | C | C | . | . | trans | -80.9 | 116 | 178.4 | 177.5 | 53.8 | -129.6 | 0 | 0 | 110.6 | N120 C123 R124 P149 E154 V155 | N120-E152 VanDerWaalsContact C-OE2 3.29Å; N120-E152 HydrophobicContact CB-CB 4.01Å; N120-E152 HydrophobicContact CB-CG 4.44Å; N120-E152 VanDerWaalsContact CB-OE2 3.27Å; N120-E152 WeakPolarHBondContact CB-OE2 3.41Å; N120-E152 WeakPolarHBondContact O-CG 3.44Å; N120-E152 VanDerWaalsContact O-OE2 3.13Å; C123-E152 HydrophobicContact CB-CG 4.21Å; R124-E152 HydrophobicContact CB-CG 4.27Å; P149-E152 PolarHBondContact O-N 2.83Å; E152-E154 PolarHBondContact O-N 2.83Å; E152-E154 VanDerWaalsContact O-N 3.11Å; E152-V155 HydrophobicContact CB-CB 4.34Å; E152-V155 HydrophobicContact CB-CG2 3.87Å; E152-V155 HydrophobicContact CG-CG2 3.85Å; E152-V155 WeakPolarHBondContact O-CB 3.32Å; E152-V155 PolarHBondContact O-N 3.09Å | ||
| 153 | P | 97.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 22.8 Ų | 22.8 | 51% | 0.513 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22.7 | -172.7 | -26.6 | 36.6 | 0 | 0 | 0 | 115.9 | S151 V155 C301 | S151-P153 VanDerWaalsContact O-CD 3.32Å; S151-P153 WeakPolarHBondContact O-CD 3.26Å; P153-V155 VanDerWaalsContact C-N 3.31Å; P153-C301 PolarHBondContact O-SG 2.9Å |
| 154 | E | 97.8 | Very high | 98.3 | Very high | 29 Ų | 29 | 27.5 Ų | 27.5 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8.2 | 178 | -56.7 | -66.3 | 159.8 | 0 | 0 | 112.7 | R124 V127 E152 C301 V302 | R124-E154 HydrophobicContact CG-CG 4.14Å; V127-E154 HydrophobicContact CB-CB 4.13Å; V127-E154 HydrophobicContact CG1-CB 4.05Å; V127-E154 HydrophobicContact CG2-CB 4.19Å; V127-E154 WeakPolarHBondContact CG2-O 3.41Å; E152-E154 PolarHBondContact O-N 2.83Å; E152-E154 VanDerWaalsContact O-N 3.11Å; E154-C301 WeakPolarHBondContact OE1-CA 2.99Å; E154-C301 WeakPolarHBondContact OE2-CB 3.46Å; E154-V302 VanDerWaalsContact OE1-CG2 3.3Å; E154-V302 WeakPolarHBondContact OE1-CG2 3.45Å; E154-V302 PolarHBondContact OE1-N 3.16Å; E154-V302 PolarHBondContact OE2-N 3.11Å |
| 155 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -93.5 | 132.1 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | C123 V133 A135 E152 P153 T157 D182 | C123-V155 HydrophobicContact CB-CG2 3.5Å; V133-V155 HydrophobicContact CB-CG1 4.47Å; V133-V155 HydrophobicContact CB-CG2 4.15Å; V133-V155 HydrophobicContact CG1-CG1 4Å; V133-V155 HydrophobicContact CG1-CG2 3.91Å; A135-V155 HydrophobicContact CB-CG1 3.51Å; E152-V155 HydrophobicContact CB-CB 4.34Å; E152-V155 HydrophobicContact CB-CG2 3.87Å; E152-V155 HydrophobicContact CG-CG2 3.85Å; E152-V155 WeakPolarHBondContact O-CB 3.32Å; E152-V155 PolarHBondContact O-N 3.09Å; P153-V155 VanDerWaalsContact C-N 3.31Å; V155-T157 PolarHBondContact O-N 2.84Å; V155-T157 VanDerWaalsContact O-N 3.11Å; V155-T157 PolarHBondContact O-OG1 2.81Å; V155-D182 VanDerWaalsContact O-OD2 3.13Å |
| 156 | I | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 104.3 | 174 | -53.8 | 176.3 | 0 | 0 | 0 | 108.5 | V133 V134 A135 V158 D182 L183 V233 L234 M237 | V133-I156 PolarHBondContact O-N 3.3Å; V134-I156 CarbonylContact C-O 3.57Å; V134-I156 WeakPolarHBondContact CA-O 3.49Å; V134-I156 HydrophobicContact CG2-CB 4.25Å; V134-I156 HydrophobicContact CG2-CD1 4.29Å; A135-I156 PolarHBondContact N-O 3.28Å; I156-V158 HydrophobicContact CG2-CG2 4.17Å; I156-D182 WeakPolarHBondContact CA-OD2 3.36Å; I156-L183 HydrophobicContact CG2-CD2 3.81Å; I156-V233 HydrophobicContact CD1-CG1 4.44Å; I156-L234 HydrophobicContact CD1-CB 4.17Å; I156-L234 HydrophobicContact CG1-CB 4.21Å; I156-L234 HydrophobicContact CG1-CD1 4.17Å; I156-L234 HydrophobicContact CG2-CD1 4.23Å; I156-M237 HydrophobicContact CD1-CE 4.48Å; I156-M237 HydrophobicContact CG2-SD 4.24Å |
| 157 | T | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.9 | -174.5 | -62.3 | 0 | 0 | 0 | 0 | 111 | A137 A150 V155 C180 D182 | A137-T157 HydrophobicContact CB-CG2 3.89Å; A150-T157 HydrophobicContact CB-CG2 3.69Å; A150-T157 PolarHBondContact O-OG1 3.05Å; A150-T157 VanDerWaalsContact O-OG1 3.12Å; V155-T157 PolarHBondContact O-N 2.84Å; V155-T157 VanDerWaalsContact O-N 3.11Å; V155-T157 PolarHBondContact O-OG1 2.81Å; T157-C180 WeakPolarHBondContact CB-O 3.35Å; T157-C180 WeakPolarHBondContact CG2-O 3.44Å; T157-D182 PolarHBondContact N-OD2 2.88Å; T157-D182 PolarHBondContact O-N 3.42Å |
| 158 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.3 | -164.6 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | V134 A135 A137 I156 L183 A185 A210 A211 A214 | V134-V158 HydrophobicContact CG1-CG2 3.82Å; A135-V158 PolarHBondContact O-N 2.82Å; A137-V158 VanDerWaalsContact CB-O 3.29Å; A137-V158 WeakPolarHBondContact CB-O 3.38Å; A137-V158 PolarHBondContact N-O 2.84Å; I156-V158 HydrophobicContact CG2-CG2 4.17Å; V158-L183 WeakPolarHBondContact CA-O 3.39Å; V158-L183 HydrophobicContact CG2-CD2 4.25Å; V158-A185 HydrophobicContact CG1-CB 3.78Å; V158-A210 HydrophobicContact CG1-CB 3.94Å; V158-A211 HydrophobicContact CB-CB 4.34Å; V158-A214 HydrophobicContact CB-CB 4.47Å; V158-A214 HydrophobicContact CG1-CB 4.15Å; V158-A214 HydrophobicContact CG2-CB 3.62Å |
| 159 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 166.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T175 L183 F184 A185 A210 | G159-T175 WeakPolarHBondContact CA-OG1 3.44Å; G159-L183 PolarHBondContact N-O 2.93Å; G159-F184 VanDerWaalsContact C-CD1 3.4Å; G159-F184 CarbonylContact O-C 2.82Å; G159-F184 VanDerWaalsContact O-CA 3.23Å; G159-F184 WeakPolarHBondContact O-CA 3.44Å; G159-A185 PolarHBondContact O-N 2.85Å; G159-A210 VanDerWaalsContact O-CB 3.24Å; G159-A210 WeakPolarHBondContact O-CB 3.34Å |
| 160 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M168 T175 A185 T207 A210 | A160-M168 HydrophobicContact CB-CB 3.66Å; A160-M168 HydrophobicContact CB-CE 4.3Å; A160-M168 HydrophobicContact CB-CG 4.25Å; A160-M168 HydrophobicContact CB-SD 3.75Å; A160-M168 WeakPolarHBondContact O-CB 3.43Å; A160-M168 PolarHBondContact O-N 2.97Å; A160-T175 PolarHBondContact N-OG1 2.71Å; A160-T175 WeakPolarHBondContact O-CG2 3.33Å; A160-A185 WeakPolarHBondContact CA-O 3.2Å; A160-T207 HydrophobicContact CB-CG2 3.84Å; A160-A210 HydrophobicContact CB-CB 4.01Å |
| 161 | V | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.8 | 168.6 | -69 | 0 | 0 | 0 | 0 | 111.2 | Q166 F184 A185 G187 D188 I246 V263 | V161-Q166 CarbonylContact C-O 3.49Å; V161-Q166 WeakPolarHBondContact CA-O 3.34Å; V161-Q166 WeakPolarHBondContact CB-O 3.35Å; V161-F184 HydrophobicContact CG1-CB 3.82Å; V161-F184 HydrophobicContact CG1-CD1 3.89Å; V161-F184 HydrophobicContact CG1-CG 4.03Å; V161-F184 HydrophobicContact CG2-CB 4.35Å; V161-A185 PolarHBondContact N-O 2.84Å; V161-G187 PolarHBondContact O-N 2.78Å; V161-D188 PolarHBondContact O-N 2.83Å; V161-I246 HydrophobicContact CG1-CD1 3.96Å; V161-I246 HydrophobicContact CG1-CG1 4.15Å; V161-I246 HydrophobicContact CG1-CG2 4.11Å; V161-V263 HydrophobicContact CG2-CG1 3.96Å; V161-V263 HydrophobicContact CG2-CG2 4.11Å |
| 162 | N | 97.4 | Very high | 95.8 | Very high | 34 Ų | 34 | 44.1 Ų | 44.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -93.7 | -178.9 | 172.8 | 74.3 | 6.1 | 0 | 0 | 0 | 112.1 | E164 D165 Q166 D188 | N162-E164 PolarHBondContact O-N 2.85Å; N162-E164 VanDerWaalsContact O-N 3.14Å; N162-E164 PolarHBondContact OD1-N 2.93Å; N162-D165 PolarHBondContact O-N 2.92Å; N162-D165 VanDerWaalsContact O-N 3.13Å; N162-D165 PolarHBondContact OD1-N 3.09Å; N162-Q166 PolarHBondContact N-O 2.83Å; N162-Q166 WeakPolarHBondContact OD1-CB 3.43Å; N162-Q166 PolarHBondContact OD1-N 3.38Å; N162-Q166 PolarHBondContact OD1-O 2.76Å; N162-D188 HydrophobicContact CB-CB 3.55Å; N162-D188 WeakPolarHBondContact CB-OD2 2.99Å | ||
| 163 | S | 96.6 | Very high | 95.5 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 84% | 0.839 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.7 | -178.7 | 55 | 0 | 0 | 0 | 0 | 115.2 | ||
| 164 | E | 96.1 | Very high | 95.4 | Very high | 140 Ų | 140 | 40.7 Ų | 40.7 | 65% | 0.654 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 16.1 | 176.9 | -61.5 | 177.4 | 171.9 | 0 | 0 | 112 | N162 Q166 | N162-E164 PolarHBondContact O-N 2.85Å; N162-E164 VanDerWaalsContact O-N 3.14Å; N162-E164 PolarHBondContact OD1-N 2.93Å; E164-Q166 HydrophobicContact CB-CG 4.06Å; E164-Q166 PolarHBondContact O-N 2.89Å; E164-Q166 PolarHBondContact O-NE2 3.36Å |
| 165 | D | 95.3 | Very high | 95.4 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 52.3 | 34.7 | -173.3 | -67.9 | -31.2 | 0 | 0 | 0 | 112.6 | N162 T245 I246 N247 | N162-D165 PolarHBondContact O-N 2.92Å; N162-D165 VanDerWaalsContact O-N 3.13Å; N162-D165 PolarHBondContact OD1-N 3.09Å; D165-T245 WeakPolarHBondContact OD2-CB 3.4Å; D165-T245 PolarHBondContact OD2-OG1 2.81Å; D165-T245 VanDerWaalsContact OD2-OG1 3.07Å; D165-I246 VanDerWaalsContact O-CA 3.3Å; D165-I246 WeakPolarHBondContact O-CA 3.32Å; D165-I246 WeakPolarHBondContact O-CG2 3.44Å; D165-N247 PolarHBondContact O-N 2.96Å |
| 166 | Q | 96.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 39.4 Ų | 39.4 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -98.2 | 148.6 | 171.4 | -53.2 | -56.8 | -68 | 0 | 0 | 110.1 | V161 N162 E164 M168 N247 | V161-Q166 CarbonylContact C-O 3.49Å; V161-Q166 WeakPolarHBondContact CA-O 3.34Å; V161-Q166 WeakPolarHBondContact CB-O 3.35Å; N162-Q166 PolarHBondContact N-O 2.83Å; N162-Q166 WeakPolarHBondContact OD1-CB 3.43Å; N162-Q166 PolarHBondContact OD1-N 3.38Å; N162-Q166 PolarHBondContact OD1-O 2.76Å; E164-Q166 HydrophobicContact CB-CG 4.06Å; E164-Q166 PolarHBondContact O-N 2.89Å; E164-Q166 PolarHBondContact O-NE2 3.36Å; Q166-M168 PolarHBondContact O-N 3.17Å; Q166-N247 VanDerWaalsContact OE1-CB 3.31Å; Q166-N247 PolarHBondContact OE1-ND2 3.06Å |
| 167 | L | 97.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 40 Ų | 40 | 12% | 0.12 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -55.6 | 127.1 | 170.1 | -67 | -179.2 | 0 | 0 | 0 | 109.9 | S169 T175 F184 I246 F248 L251 | L167-S169 PolarHBondContact O-N 3.39Å; L167-T175 HydrophobicContact CB-CG2 3.78Å; L167-T175 HydrophobicContact CD2-CG2 3.71Å; L167-T175 HydrophobicContact CG-CG2 4.24Å; L167-F184 HydrophobicContact CD2-CD1 3.94Å; L167-F184 HydrophobicContact CD2-CE1 3.32Å; L167-F184 HydrophobicContact CD2-CZ 3.75Å; L167-I246 HydrophobicContact CD2-CG2 4.01Å; L167-I246 HydrophobicContact CG-CG2 4.25Å; L167-F248 HydrophobicContact CD1-CD1 4.16Å; L167-F248 HydrophobicContact CD2-CD1 4.33Å; L167-F248 HydrophobicContact CD2-CE1 3.95Å; L167-F248 HydrophobicContact CG-CD1 4.31Å; L167-F248 HydrophobicContact CG-CE1 4.41Å; L167-L251 HydrophobicContact CD1-CD1 4.13Å; L167-L251 HydrophobicContact CD1-CD2 3.85Å; L167-L251 HydrophobicContact CD1-CG 3.99Å |
| 168 | M | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -57 | 130.4 | 178.4 | -178.7 | -153.2 | 72.3 | 0 | 0 | 110.3 | A160 Q166 G174 T175 G187 D188 G206 | A160-M168 HydrophobicContact CB-CB 3.66Å; A160-M168 HydrophobicContact CB-CE 4.3Å; A160-M168 HydrophobicContact CB-CG 4.25Å; A160-M168 HydrophobicContact CB-SD 3.75Å; A160-M168 WeakPolarHBondContact O-CB 3.43Å; A160-M168 PolarHBondContact O-N 2.97Å; Q166-M168 PolarHBondContact O-N 3.17Å; M168-G174 CarbonylContact O-C 3.56Å; M168-G174 WeakPolarHBondContact O-CA 3.45Å; M168-T175 PolarHBondContact O-N 2.88Å; M168-G187 VanDerWaalsContact SD-O 3.37Å; M168-D188 HydrophobicContact CB-CB 4.49Å; M168-D188 HydrophobicContact CG-CB 4.01Å; M168-G206 WeakPolarHBondContact SD-CA 3.41Å; M168-G206 PolarHBondContact SD-N 2.85Å |
| 169 | S | 94.1 | Very high | 95.3 | Very high | 75 Ų | 75 | 44 Ų | 44 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.8 | 177.2 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | L167 | L167-S169 PolarHBondContact O-N 3.39Å |
| 170 | Q | 85.4 | Confident | 95.3 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 101.5 | -177.9 | -167 | -178.4 | 51.7 | 0 | 0 | 110 | A172 G173 | Q170-A172 PolarHBondContact O-N 2.89Å; Q170-G173 PolarHBondContact N-O 3.34Å; Q170-G173 CarbonylContact O-C 3.48Å; Q170-G173 WeakPolarHBondContact O-CA 3.36Å; Q170-G173 PolarHBondContact O-N 2.03Å |
| 171 | G | 86.6 | Confident | 95.3 | Very high | 79 Ų | 79 | 45 Ų | 45 | 81% | 0.814 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | -122.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 172 | A | 83.4 | Confident | 95.3 | Very high | 108 Ų | 108 | 45.9 Ų | 45.9 | 89% | 0.893 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -11.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q170 | Q170-A172 PolarHBondContact O-N 2.89Š|
| 173 | G | 91.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -168.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q170 | Q170-G173 PolarHBondContact N-O 3.34Å; Q170-G173 CarbonylContact O-C 3.48Å; Q170-G173 WeakPolarHBondContact O-CA 3.36Å; Q170-G173 PolarHBondContact O-N 2.03Å |
| 174 | G | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | 175.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | N139 Y140 R141 M168 N176 | N139-G174 CarbonylContact C-O 3.59Å; N139-G174 WeakPolarHBondContact CA-O 3.4Å; N139-G174 PolarHBondContact O-N 3.48Å; Y140-G174 PolarHBondContact N-O 2.02Å; R141-G174 PolarHBondContact N-O 3.19Å; M168-G174 CarbonylContact O-C 3.56Å; M168-G174 WeakPolarHBondContact O-CA 3.45Å; G174-N176 PolarHBondContact O-N 3.39Å |
| 175 | T | 98.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | trans | -56.1 | 137.6 | 178 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | G138 G159 A160 L167 M168 F184 T207 | G138-T175 CarbonylContact O-C 3.53Å; G159-T175 WeakPolarHBondContact CA-OG1 3.44Å; A160-T175 PolarHBondContact N-OG1 2.71Å; A160-T175 WeakPolarHBondContact O-CG2 3.33Å; L167-T175 HydrophobicContact CB-CG2 3.78Å; L167-T175 HydrophobicContact CD2-CG2 3.71Å; L167-T175 HydrophobicContact CG-CG2 4.24Å; M168-T175 PolarHBondContact O-N 2.88Å; T175-F184 HydrophobicContact CG2-CE1 4.02Å; T175-T207 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 176 | N | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -67.1 | 163.2 | 164.9 | -75.4 | 0.8 | 0 | 0 | 0 | 110.5 | A137 G138 Y140 R141 E142 A144 Y147 G174 | A137-N176 HydrophobicContact CB-CB 4.19Å; A137-N176 VanDerWaalsContact O-CB 3.24Å; A137-N176 WeakPolarHBondContact O-CB 3.4Å; A137-N176 PolarHBondContact O-ND2 3.48Å; G138-N176 PolarHBondContact O-N 3.43Å; Y140-N176 WeakPolarHBondContact CA-OD1 3.28Å; Y140-N176 WeakPolarHBondContact CB-OD1 3.04Å; Y140-N176 PolarHBondContact N-OD1 3.24Å; R141-N176 PolarHBondContact N-OD1 2.97Å; R141-N176 VanDerWaalsContact N-OD1 3.13Å; E142-N176 PolarHBondContact N-OD1 2.83Å; E142-N176 VanDerWaalsContact N-OD1 3.08Å; E142-N176 VanDerWaalsContact O-CA 3.24Å; E142-N176 WeakPolarHBondContact O-CA 3.39Å; E142-N176 VanDerWaalsContact O-CB 3.27Å; E142-N176 WeakPolarHBondContact O-CB 3.19Å; A144-N176 HydrophobicContact CB-CB 4.06Å; Y147-N176 VanDerWaalsContact CD2-ND2 3.3Å; Y147-N176 WeakPolarHBondContact CD2-ND2 3.31Å; Y147-N176 VanDerWaalsContact CE2-ND2 3.33Å; Y147-N176 WeakPolarHBondContact CE2-ND2 3.49Å; G174-N176 PolarHBondContact O-N 3.39Å | ||
| 177 | F | 98.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 28.8 Ų | 28.8 | 8% | 0.075 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -145.4 | -174.3 | -173.5 | 46.9 | -105.6 | 0 | 0 | 0 | 110.8 | R141 E142 A144 L251 H255 T259 | R141-F177 HydrophobicContact CG-CE1 3.96Å; R141-F177 WeakPolarHBondContact O-CE1 3.02Å; R141-F177 VanDerWaalsContact O-CZ 3.24Å; R141-F177 WeakPolarHBondContact O-CZ 3.08Å; E142-F177 PolarHBondContact O-N 3.17Å; A144-F177 PolarHBondContact N-O 3.13Å; F177-L251 HydrophobicContact CB-CD1 4.13Å; F177-L251 HydrophobicContact CB-CD2 4.27Å; F177-L251 HydrophobicContact CD1-CD2 3.4Å; F177-L251 VanDerWaalsContact CD1-CD2 3.4Å; F177-L251 HydrophobicContact CD2-CD2 4.23Å; F177-L251 HydrophobicContact CE1-CD2 3.7Å; F177-L251 HydrophobicContact CG-CD1 4.32Å; F177-L251 HydrophobicContact CG-CD2 3.68Å; F177-L251 HydrophobicContact CZ-CD2 4.26Å; F177-H255 HydrophobicContact CD2-CB 4.02Å; F177-H255 AromaticContact CD2-CG 3.76Å; F177-H255 AromaticContact CD2-ND1 3.8Å; F177-H255 HydrophobicContact CE2-CB 4.32Å; F177-H255 AromaticContact CE2-CE1 3.56Å; F177-H255 AromaticContact CE2-CG 3.73Å; F177-H255 AromaticContact CE2-ND1 3.26Å; F177-H255 VanDerWaalsContact CE2-ND1 3.26Å; F177-H255 WeakPolarHBondContact CE2-ND1 3.4Å; F177-T259 HydrophobicContact CB-CG2 4.12Å |
| 178 | G | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 99.8 | -176 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C180 V181 T259 | G178-C180 PolarHBondContact O-N 2.97Å; G178-C180 VanDerWaalsContact O-N 3.13Å; G178-V181 PolarHBondContact O-N 2.82Å; G178-V181 VanDerWaalsContact O-N 3.08Å; G178-T259 WeakPolarHBondContact CA-OG1 3.23Å; G178-T259 PolarHBondContact N-OG1 2.03Å |
| 179 | R | 97.4 | Very high | 95.9 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -16.7 | -171.5 | 68.2 | 178.1 | -176.8 | 75.7 | 0.8 | 115.4 | C145 T258 W284 S285 | C145-R179 WeakPolarHBondContact SG-CG 3.05Å; R179-T258 WeakPolarHBondContact CA-O 3.42Å; R179-W284 HydrophobicContact CB-CB 4.25Å; R179-S285 VanDerWaalsContact CD-C 3.48Å; R179-S285 WeakPolarHBondContact CD-O 3.49Å |
| 180 | C | 98.6 | Very high | 96.1 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 10% | 0.101 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.3 | 178.3 | -65.1 | 0 | 0 | 0 | 0 | 112.5 | A144 C145 T157 G178 | A144-C180 HydrophobicContact CB-CB 4.2Å; C145-C180 WeakPolarHBondContact CA-SG 3.34Å; C145-C180 HydrophobicContact CB-CB 4.07Å; C145-C180 WeakPolarHBondContact CB-SG 3.47Å; C145-C180 WeakPolarHBondContact SG-CB 3.41Å; C145-C180 CovalentContact SG-SG 2.04Å; C145-C180 PolarHBondContact SG-SG 3.44Å; T157-C180 WeakPolarHBondContact CB-O 3.35Å; T157-C180 WeakPolarHBondContact CG2-O 3.44Å; G178-C180 PolarHBondContact O-N 2.97Å; G178-C180 VanDerWaalsContact O-N 3.13Å |
| 181 | V | 98.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | trans | -84.5 | 131.1 | 167.3 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | A137 A144 G178 L183 F184 P260 | A137-V181 HydrophobicContact CB-CG2 3.91Å; A144-V181 HydrophobicContact CB-CG2 3.74Å; G178-V181 PolarHBondContact O-N 2.82Å; G178-V181 VanDerWaalsContact O-N 3.08Å; V181-L183 VanDerWaalsContact CG1-O 3.28Å; V181-L183 WeakPolarHBondContact CG1-O 3.36Å; V181-F184 HydrophobicContact CG1-CD2 4.39Å; V181-F184 HydrophobicContact CG1-CE2 3.94Å; V181-F184 HydrophobicContact CG1-CZ 4.08Å; V181-P260 HydrophobicContact CG1-CG 4.43Å; V181-P260 VanDerWaalsContact O-CD 3.24Å; V181-P260 WeakPolarHBondContact O-CD 3.4Å; V181-P260 WeakPolarHBondContact O-CG 3.47Å | ||
| 182 | D | 98.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 28 Ų | 28 | 11% | 0.112 | 17% | 0.169 | C | C | . | . | trans | -87.7 | -39.8 | 176.7 | -68.5 | -72 | 0 | 0 | 0 | 111.9 | V155 I156 T157 L234 L238 P260 R281 | V155-D182 VanDerWaalsContact O-OD2 3.13Å; I156-D182 WeakPolarHBondContact CA-OD2 3.36Å; T157-D182 PolarHBondContact N-OD2 2.88Å; T157-D182 PolarHBondContact O-N 3.42Å; D182-L234 HydrophobicContact CB-CD1 3.99Å; D182-L238 HydrophobicContact CB-CD2 4.49Å; D182-L238 WeakPolarHBondContact O-CD2 3.24Å; D182-P260 VanDerWaalsContact O-CG 3.24Å; D182-P260 WeakPolarHBondContact O-CG 3.29Å; D182-R281 IonicContact OD1-NH1 3.33Å | ||
| 183 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 172.4 | 178.7 | 71.1 | 170.4 | 0 | 0 | 0 | 111.5 | I156 V158 G159 V181 M237 L238 L262 A264 | I156-L183 HydrophobicContact CG2-CD2 3.81Å; V158-L183 WeakPolarHBondContact CA-O 3.39Å; V158-L183 HydrophobicContact CG2-CD2 4.25Å; G159-L183 PolarHBondContact N-O 2.93Å; V181-L183 VanDerWaalsContact CG1-O 3.28Å; V181-L183 WeakPolarHBondContact CG1-O 3.36Å; L183-M237 HydrophobicContact CD1-CG 3.61Å; L183-M237 HydrophobicContact CD1-SD 3.58Å; L183-M237 VanDerWaalsContact CD1-SD 3.58Å; L183-M237 HydrophobicContact CD2-SD 4Å; L183-M237 HydrophobicContact CG-SD 4.42Å; L183-L238 HydrophobicContact CB-CD2 4.08Å; L183-L238 HydrophobicContact CD2-CD2 4.43Å; L183-L262 HydrophobicContact CB-CB 4.05Å; L183-A264 HydrophobicContact CD1-CB 3.56Å; L183-A264 HydrophobicContact CG-CB 4.49Å |
| 184 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 159.9 | 172 | -66.9 | -99.4 | 0 | 0 | 0 | 110.6 | G159 V161 L167 T175 V181 I246 F248 T259 P260 L262 V263 A264 | G159-F184 VanDerWaalsContact C-CD1 3.4Å; G159-F184 CarbonylContact O-C 2.82Å; G159-F184 VanDerWaalsContact O-CA 3.23Å; G159-F184 WeakPolarHBondContact O-CA 3.44Å; V161-F184 HydrophobicContact CG1-CB 3.82Å; V161-F184 HydrophobicContact CG1-CD1 3.89Å; V161-F184 HydrophobicContact CG1-CG 4.03Å; V161-F184 HydrophobicContact CG2-CB 4.35Å; L167-F184 HydrophobicContact CD2-CD1 3.94Å; L167-F184 HydrophobicContact CD2-CE1 3.32Å; L167-F184 HydrophobicContact CD2-CZ 3.75Å; T175-F184 HydrophobicContact CG2-CE1 4.02Å; V181-F184 HydrophobicContact CG1-CD2 4.39Å; V181-F184 HydrophobicContact CG1-CE2 3.94Å; V181-F184 HydrophobicContact CG1-CZ 4.08Å; F184-I246 HydrophobicContact CB-CD1 3.86Å; F184-I246 HydrophobicContact CD2-CD1 3.51Å; F184-I246 HydrophobicContact CE2-CD1 4.26Å; F184-I246 HydrophobicContact CG-CD1 3.71Å; F184-F248 HydrophobicContact CE2-CE1 4.4Å; F184-F248 HydrophobicContact CE2-CZ 4.23Å; F184-T259 HydrophobicContact CE2-CG2 3.58Å; F184-T259 HydrophobicContact CZ-CG2 3.59Å; F184-P260 VanDerWaalsContact CE2-O 3.31Å; F184-P260 WeakPolarHBondContact CE2-O 3.48Å; F184-L262 WeakPolarHBondContact CB-O 3.19Å; F184-L262 PolarHBondContact N-O 3.19Å; F184-V263 CarbonylContact O-C 3.59Å; F184-V263 WeakPolarHBondContact O-CA 3.35Å; F184-A264 WeakPolarHBondContact O-CB 3.47Å; F184-A264 PolarHBondContact O-N 3.32Å |
| 185 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 167 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | V158 G159 A160 V161 G187 A210 H213 A264 | V158-A185 HydrophobicContact CG1-CB 3.78Å; G159-A185 PolarHBondContact O-N 2.85Å; A160-A185 WeakPolarHBondContact CA-O 3.2Å; V161-A185 PolarHBondContact N-O 2.84Å; A185-G187 PolarHBondContact O-N 2.74Å; A185-G187 VanDerWaalsContact O-N 3.13Å; A185-A210 HydrophobicContact CB-CB 4.02Å; A185-A210 WeakPolarHBondContact CB-O 3.24Å; A185-H213 HydrophobicContact CB-CB 4.14Å; A185-A264 HydrophobicContact CB-CB 3.89Å |
| 186 | P | 98.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 27.1 Ų | 27.1 | 33% | 0.325 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | 120.6 | 173.8 | -26.6 | 36 | 0 | 0 | 0 | 111 | I190 A210 H213 | P186-I190 HydrophobicContact CB-CD1 3.82Å; P186-A210 WeakPolarHBondContact O-CA 3.48Å; P186-H213 PolarHBondContact O-CE1 3.28Å; P186-H213 VanDerWaalsContact O-CE1 3.25Å; P186-H213 PolarHBondContact O-ND1 2.03Å |
| 187 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -145.1 | 10.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | V161 M168 A185 S205 G206 | V161-G187 PolarHBondContact O-N 2.78Å; M168-G187 VanDerWaalsContact SD-O 3.37Å; A185-G187 PolarHBondContact O-N 2.74Å; A185-G187 VanDerWaalsContact O-N 3.13Å; G187-S205 CarbonylContact O-C 3.6Å; G187-S205 VanDerWaalsContact O-CA 3.24Å; G187-S205 WeakPolarHBondContact O-CA 3.45Å; G187-G206 PolarHBondContact O-N 3.08Å | ||
| 188 | D | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 22% | 0.219 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -122.4 | 133.8 | 174.9 | -159.1 | 17.3 | 0 | 0 | 0 | 110.2 | V161 N162 M168 I190 S205 | V161-D188 PolarHBondContact O-N 2.83Å; N162-D188 HydrophobicContact CB-CB 3.55Å; N162-D188 WeakPolarHBondContact CB-OD2 2.99Å; M168-D188 HydrophobicContact CB-CB 4.49Å; M168-D188 HydrophobicContact CG-CB 4.01Å; D188-I190 WeakPolarHBondContact O-CD1 3.48Å; D188-I190 PolarHBondContact O-N 2.92Å; D188-S205 VanDerWaalsContact OD1-CB 3.23Å; D188-S205 WeakPolarHBondContact OD1-CB 3.34Å; D188-S205 PolarHBondContact OD1-OG 3.43Å |
| 189 | D | 97.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 35.2 Ų | 35.2 | 64% | 0.636 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 52.6 | 48 | -176.1 | -80.9 | -38.6 | 0 | 0 | 0 | 114.4 | V191 S203 S205 | D189-V191 PolarHBondContact O-N 2.96Å; D189-S203 WeakPolarHBondContact CA-OG 3.37Å; D189-S203 PolarHBondContact OD1-OG 3.04Å; D189-S203 VanDerWaalsContact OD1-OG 3.1Å; D189-S205 PolarHBondContact N-OG 2.99Å |
| 190 | I | 98.7 | Very high | 97.9 | Very high | 18 Ų | 18 | 33 Ų | 33 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 113.5 | -178.4 | -54.3 | -52 | 0 | 0 | 0 | 110.3 | H51 V55 P186 D188 S203 Q204 Q209 | H51-I190 PolarHBondContact CE1-O 2.74Å; H51-I190 VanDerWaalsContact CE1-O 3.25Å; H51-I190 PolarHBondContact NE2-O 3.26Å; V55-I190 HydrophobicContact CG2-CG2 3.73Å; P186-I190 HydrophobicContact CB-CD1 3.82Å; D188-I190 WeakPolarHBondContact O-CD1 3.48Å; D188-I190 PolarHBondContact O-N 2.92Å; I190-S203 WeakPolarHBondContact O-CA 3.4Å; I190-Q204 WeakPolarHBondContact CB-O 3.38Å; I190-Q204 PolarHBondContact N-O 3.32Å; I190-Q204 PolarHBondContact O-N 3.13Å; I190-Q209 HydrophobicContact CB-CB 4.19Å; I190-Q209 HydrophobicContact CB-CG 4.1Å; I190-Q209 HydrophobicContact CG1-CB 3.9Å; I190-Q209 HydrophobicContact CG1-CG 4.31Å; I190-Q209 HydrophobicContact CG2-CB 4.43Å; I190-Q209 HydrophobicContact CG2-CG 4.43Å |
| 191 | V | 98.6 | Very high | 97.9 | Very high | 87 Ų | 87 | 36.6 Ų | 36.6 | 53% | 0.527 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.6 | 176.9 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | D189 F201 T202 | D189-V191 PolarHBondContact O-N 2.96Å; V191-F201 HydrophobicContact CG1-CB 4.05Å; V191-F201 HydrophobicContact CG1-CD1 4.09Å; V191-F201 HydrophobicContact CG1-CG 4.44Å; V191-T202 WeakPolarHBondContact CA-O 3.23Å |
| 192 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | -171.6 | 171 | -158.6 | 0 | 0 | 0 | 0 | 112 | H51 G54 V55 S61 S194 F201 T202 | H51-S192 PolarHBondContact NE2-N 3.01Å; H51-S192 PolarHBondContact O-OG 3.21Å; G54-S192 WeakPolarHBondContact CA-OG 3.36Å; V55-S192 PolarHBondContact N-OG 3.14Å; S61-S192 PolarHBondContact OG-OG 3.3Å; S192-S194 PolarHBondContact O-N 3.35Å; S192-F201 CarbonylContact O-C 3.55Å; S192-F201 VanDerWaalsContact O-CA 3.24Å; S192-F201 WeakPolarHBondContact O-CA 3.45Å; S192-T202 PolarHBondContact N-O 3.26Å; S192-T202 PolarHBondContact O-N 3.16Å |
| 193 | A | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 130.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E17 T50 H51 | E17-A193 HydrophobicContact CB-CB 4.01Å; E17-A193 HydrophobicContact CG-CB 4.15Å; T50-A193 HydrophobicContact CG2-CB 3.94Å; H51-A193 WeakPolarHBondContact CA-O 3.45Å |
| 194 | S | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | trans | -100.1 | 139.4 | 170.1 | -175.4 | 0 | 0 | 0 | 0 | 109.8 | H15 S192 D196 C200 | H15-S194 PolarHBondContact CD2-O 2.61Å; H15-S194 PolarHBondContact NE2-O 3.07Å; S192-S194 PolarHBondContact O-N 3.35Å; S194-D196 PolarHBondContact O-N 3.13Å; S194-D196 WeakPolarHBondContact OG-CB 3.24Å; S194-D196 PolarHBondContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 2.93Å; S194-C200 PolarHBondContact N-O 3.38Å | ||
| 195 | S | 95.6 | Very high | 97.7 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -4.4 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 114 | Q12 D46 G47 C197 | Q12-S195 PolarHBondContact NE2-O 2.92Å; Q12-S195 VanDerWaalsContact NE2-O 3.08Å; D46-S195 WeakPolarHBondContact OD1-CB 3.37Å; D46-S195 PolarHBondContact OD1-OG 2.96Å; G47-S195 WeakPolarHBondContact CA-OG 3.5Å; G47-S195 PolarHBondContact N-OG 2.62Å; S195-C197 VanDerWaalsContact C-N 3.28Å; S195-C197 PolarHBondContact O-N 3.46Å |
| 196 | D | 94.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -37.6 | 176.8 | -68.6 | -42.2 | 0 | 0 | 0 | 113.2 | Q44 S194 C200 | Q44-D196 PolarHBondContact NE2-OD1 3.46Å; S194-D196 PolarHBondContact O-N 3.13Å; S194-D196 WeakPolarHBondContact OG-CB 3.24Å; S194-D196 PolarHBondContact OG-N 3.14Å; S194-D196 PolarHBondContact OG-OD2 2.93Å; D196-C200 HydrophobicContact CB-CB 4.35Å |
| 197 | C | 94.9 | Very high | 97.7 | Very high | 44 Ų | 44 | 41.3 Ų | 41.3 | 30% | 0.297 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -159.6 | 159.1 | 176.6 | 86 | 0 | 0 | 0 | 0 | 110.9 | H15 S195 T199 C200 | H15-C197 PolarHBondContact CD2-O 2.7Å; H15-C197 PolarHBondContact NE2-O 2.84Å; S195-C197 VanDerWaalsContact C-N 3.28Å; S195-C197 PolarHBondContact O-N 3.46Å; C197-T199 PolarHBondContact O-N 3.02Å; C197-C200 HydrophobicContact CB-CB 4.06Å; C197-C200 WeakPolarHBondContact CB-SG 3.12Å; C197-C200 PolarHBondContact O-N 2.84Å; C197-C200 VanDerWaalsContact SG-CA 3.59Å; C197-C200 WeakPolarHBondContact SG-CB 3.42Å; C197-C200 PolarHBondContact SG-N 2.92Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 2.97Å |
| 198 | S | 96.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.9 | -173.6 | 58.9 | 0 | 0 | 0 | 0 | 116.3 | H15 R16 | H15-S198 VanDerWaalsContact CD2-C 3.46Å; R16-S198 VanDerWaalsContact CB-O 3.28Å; R16-S198 WeakPolarHBondContact CB-O 3.24Å; R16-S198 PolarHBondContact N-O 3.18Å |
| 199 | T | 97.6 | Very high | 97.7 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 49% | 0.485 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | 12.1 | 176.4 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | R16 C197 | R16-T199 HydrophobicContact CB-CG2 4.24Å; C197-T199 PolarHBondContact O-N 3.02Å |
| 200 | C | 98.1 | Very high | 97.8 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | trans | -83.8 | 148.5 | -174.3 | -77.1 | 0 | 0 | 0 | 0 | 110.5 | H15 S194 D196 C197 | H15-C200 PolarHBondContact NE2-N 2.92Å; H15-C200 PolarHBondContact NE2-O 3.41Å; S194-C200 PolarHBondContact N-O 3.38Å; D196-C200 HydrophobicContact CB-CB 4.35Å; C197-C200 HydrophobicContact CB-CB 4.06Å; C197-C200 WeakPolarHBondContact CB-SG 3.12Å; C197-C200 PolarHBondContact O-N 2.84Å; C197-C200 VanDerWaalsContact SG-CA 3.59Å; C197-C200 WeakPolarHBondContact SG-CB 3.42Å; C197-C200 PolarHBondContact SG-N 2.92Å; C197-C200 CovalentContact SG-SG 2.03Å; C197-C200 PolarHBondContact SG-SG 2.97Å | ||
| 201 | F | 98.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 33.6 Ų | 33.6 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.6 | 171.5 | -71 | -96.3 | 0 | 0 | 0 | 109.4 | E17 D60 V191 S192 | E17-F201 HydrophobicContact CG-CE1 3.8Å; E17-F201 HydrophobicContact CG-CZ 3.74Å; D60-F201 HydrophobicContact CB-CZ 4.41Å; V191-F201 HydrophobicContact CG1-CB 4.05Å; V191-F201 HydrophobicContact CG1-CD1 4.09Å; V191-F201 HydrophobicContact CG1-CG 4.44Å; S192-F201 CarbonylContact O-C 3.55Å; S192-F201 VanDerWaalsContact O-CA 3.24Å; S192-F201 WeakPolarHBondContact O-CA 3.45Å |
| 202 | T | 98.1 | Very high | 97.8 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 28% | 0.282 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.1 | 173.6 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | H51 V191 S192 Q204 | H51-T202 PolarHBondContact NE2-O 3.17Å; V191-T202 WeakPolarHBondContact CA-O 3.23Å; S192-T202 PolarHBondContact N-O 3.26Å; S192-T202 PolarHBondContact O-N 3.16Å; T202-Q204 HydrophobicContact CG2-CG 4.31Å |
| 203 | S | 98.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 31 Ų | 31 | 36% | 0.357 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.5 | 174.7 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | D189 I190 | D189-S203 WeakPolarHBondContact CA-OG 3.37Å; D189-S203 PolarHBondContact OD1-OG 3.04Å; D189-S203 VanDerWaalsContact OD1-OG 3.1Å; I190-S203 WeakPolarHBondContact O-CA 3.4Å |
| 204 | Q | 97.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 31 Ų | 31 | 24% | 0.238 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.8 | 172.2 | -60.5 | -173.4 | 24.2 | 0 | 0 | 110.9 | I190 T202 | I190-Q204 WeakPolarHBondContact CB-O 3.38Å; I190-Q204 PolarHBondContact N-O 3.32Å; I190-Q204 PolarHBondContact O-N 3.13Å; T202-Q204 HydrophobicContact CG2-CG 4.31Å |
| 205 | S | 98.4 | Very high | 97.9 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | trans | -126.7 | 139.8 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 111 | G187 D188 D189 | G187-S205 CarbonylContact O-C 3.6Å; G187-S205 VanDerWaalsContact O-CA 3.24Å; G187-S205 WeakPolarHBondContact O-CA 3.45Å; D188-S205 VanDerWaalsContact OD1-CB 3.23Å; D188-S205 WeakPolarHBondContact OD1-CB 3.34Å; D188-S205 PolarHBondContact OD1-OG 3.43Å; D189-S205 PolarHBondContact N-OG 2.99Å | ||
| 206 | G | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 163.3 | 161.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | M168 G187 S208 Q209 A210 | M168-G206 WeakPolarHBondContact SD-CA 3.41Å; M168-G206 PolarHBondContact SD-N 2.85Å; G187-G206 PolarHBondContact O-N 3.08Å; G206-S208 PolarHBondContact O-N 3.49Å; G206-Q209 VanDerWaalsContact N-OE1 3.1Å; G206-Q209 PolarHBondContact O-N 2.96Å; G206-Q209 VanDerWaalsContact O-N 3.17Å; G206-Q209 PolarHBondContact O-OE1 3.49Å; G206-A210 PolarHBondContact O-N 3.02Å |
| 207 | T | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -18.8 | 168.2 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | A137 G138 N139 A160 T175 A210 A211 | A137-T207 HydrophobicContact CB-CG2 4.26Å; G138-T207 WeakPolarHBondContact CA-OG1 3.42Å; G138-T207 PolarHBondContact N-OG1 2.89Å; G138-T207 VanDerWaalsContact N-OG1 3.09Å; G138-T207 VanDerWaalsContact O-CG2 3.27Å; G138-T207 WeakPolarHBondContact O-CG2 3.4Å; G138-T207 PolarHBondContact O-OG1 3.29Å; N139-T207 WeakPolarHBondContact OD1-CB 3.24Å; N139-T207 WeakPolarHBondContact OD1-CG2 3.27Å; N139-T207 PolarHBondContact OD1-N 3.26Å; N139-T207 PolarHBondContact OD1-OG1 3.34Å; A160-T207 HydrophobicContact CB-CG2 3.84Å; T175-T207 WeakPolarHBondContact OG1-CG2 3.46Å; T207-A210 PolarHBondContact O-N 3.15Å; T207-A211 WeakPolarHBondContact O-CB 3.03Å; T207-A211 PolarHBondContact O-N 3.46Å |
| 208 | S | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 24 Ų | 24 | 8% | 0.077 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 169.7 | -58.1 | 0 | 0 | 0 | 0 | 112 | P110 G206 A211 A212 | P110-S208 PolarHBondContact O-OG 3.45Å; G206-S208 PolarHBondContact O-N 3.49Å; S208-A211 PolarHBondContact O-N 2.92Å; S208-A212 PolarHBondContact O-N 2.68Å |
| 209 | Q | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.1 | -39.9 | 176.1 | -71.5 | 69 | 21.7 | 0 | 0 | 111.1 | L52 I190 G206 A212 H213 | L52-Q209 HydrophobicContact CD2-CG 4.17Å; I190-Q209 HydrophobicContact CB-CB 4.19Å; I190-Q209 HydrophobicContact CB-CG 4.1Å; I190-Q209 HydrophobicContact CG1-CB 3.9Å; I190-Q209 HydrophobicContact CG1-CG 4.31Å; I190-Q209 HydrophobicContact CG2-CB 4.43Å; I190-Q209 HydrophobicContact CG2-CG 4.43Å; G206-Q209 VanDerWaalsContact N-OE1 3.1Å; G206-Q209 PolarHBondContact O-N 2.96Å; G206-Q209 VanDerWaalsContact O-N 3.17Å; G206-Q209 PolarHBondContact O-OE1 3.49Å; Q209-A212 WeakPolarHBondContact O-CB 3.37Å; Q209-A212 PolarHBondContact O-N 2.78Å; Q209-H213 PolarHBondContact O-N 2.92Å; Q209-H213 PolarHBondContact O-ND1 3.07Å |
| 210 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | V158 G159 A160 A185 P186 G206 T207 A212 H213 A214 | V158-A210 HydrophobicContact CG1-CB 3.94Å; G159-A210 VanDerWaalsContact O-CB 3.24Å; G159-A210 WeakPolarHBondContact O-CB 3.34Å; A160-A210 HydrophobicContact CB-CB 4.01Å; A185-A210 HydrophobicContact CB-CB 4.02Å; A185-A210 WeakPolarHBondContact CB-O 3.24Å; P186-A210 WeakPolarHBondContact O-CA 3.48Å; G206-A210 PolarHBondContact O-N 3.02Å; T207-A210 PolarHBondContact O-N 3.15Å; A210-A212 VanDerWaalsContact C-N 3.29Å; A210-A212 PolarHBondContact O-N 3.46Å; A210-H213 WeakPolarHBondContact O-CB 3.04Å; A210-H213 PolarHBondContact O-N 3.4Å; A210-A214 PolarHBondContact O-N 2.89Å; A210-A214 VanDerWaalsContact O-N 3.1Å |
| 211 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.6 | -36.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L108 V134 A136 V158 T207 S208 A214 A215 | L108-A211 HydrophobicContact CD1-CB 3.73Å; V134-A211 HydrophobicContact CG1-CB 4.27Å; V134-A211 WeakPolarHBondContact CG1-O 3.49Å; A136-A211 HydrophobicContact CB-CB 4.34Å; V158-A211 HydrophobicContact CB-CB 4.34Å; T207-A211 WeakPolarHBondContact O-CB 3.03Å; T207-A211 PolarHBondContact O-N 3.46Å; S208-A211 PolarHBondContact O-N 2.92Å; A211-A214 PolarHBondContact O-N 3.23Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.23Å |
| 212 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L52 V55 V56 L108 S208 Q209 A210 A215 G216 | L52-A212 HydrophobicContact CD2-CB 4.01Å; V55-A212 HydrophobicContact CB-CB 3.93Å; V55-A212 HydrophobicContact CG1-CB 3.65Å; V56-A212 HydrophobicContact CG2-CB 3.92Å; L108-A212 HydrophobicContact CD2-CB 3.99Å; S208-A212 PolarHBondContact O-N 2.68Å; Q209-A212 WeakPolarHBondContact O-CB 3.37Å; Q209-A212 PolarHBondContact O-N 2.78Å; A210-A212 VanDerWaalsContact C-N 3.29Å; A210-A212 PolarHBondContact O-N 3.46Å; A212-A215 PolarHBondContact O-N 3.22Å; A212-G216 PolarHBondContact O-N 2.92Å |
| 213 | H | 98.9 | Very high | 97 | Very high | 33 Ų | 33 | 14.4 Ų | 14.4 | 15% | 0.153 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -48.4 | 172.3 | -73.5 | 90.8 | 0 | 0 | 0 | 111.6 | V63 A185 P186 Q209 A210 A215 G216 I217 | V63-H213 HydrophobicContact CG2-CB 4.46Å; A185-H213 HydrophobicContact CB-CB 4.14Å; P186-H213 PolarHBondContact O-CE1 3.28Å; P186-H213 VanDerWaalsContact O-CE1 3.25Å; P186-H213 PolarHBondContact O-ND1 2.03Å; Q209-H213 PolarHBondContact O-N 2.92Å; Q209-H213 PolarHBondContact O-ND1 3.07Å; A210-H213 WeakPolarHBondContact O-CB 3.04Å; A210-H213 PolarHBondContact O-N 3.4Å; H213-A215 VanDerWaalsContact C-N 3.34Å; H213-A215 PolarHBondContact O-N 2.9Å; H213-G216 PolarHBondContact O-N 2.78Å; H213-G216 VanDerWaalsContact O-N 3.17Å; H213-I217 WeakPolarHBondContact O-CG1 3.4Å; H213-I217 PolarHBondContact O-N 2.94Å |
| 214 | A | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V134 V158 A210 A211 G216 I217 A218 M237 | V134-A214 HydrophobicContact CG1-CB 3.91Å; V158-A214 HydrophobicContact CB-CB 4.47Å; V158-A214 HydrophobicContact CG1-CB 4.15Å; V158-A214 HydrophobicContact CG2-CB 3.62Å; A210-A214 PolarHBondContact O-N 2.89Å; A210-A214 VanDerWaalsContact O-N 3.1Å; A211-A214 PolarHBondContact O-N 3.23Å; A214-G216 VanDerWaalsContact C-N 3.33Å; A214-G216 PolarHBondContact O-N 3.17Å; A214-I217 PolarHBondContact O-N 3.02Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 2.66Å; A214-M237 HydrophobicContact CB-CE 4.3Å; A214-M237 HydrophobicContact CB-SD 4.05Å; A214-M237 VanDerWaalsContact O-CE 3.28Å; A214-M237 WeakPolarHBondContact O-CE 3.39Å |
| 215 | A | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.7 | -38 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V106 L108 V134 A211 A212 H213 A218 A219 | V106-A215 HydrophobicContact CG1-CB 4.02Å; L108-A215 HydrophobicContact CB-CB 4.15Å; L108-A215 HydrophobicContact CD1-CB 4.11Å; L108-A215 HydrophobicContact CD2-CB 4.06Å; L108-A215 HydrophobicContact CG-CB 4.33Å; V134-A215 HydrophobicContact CB-CB 4.32Å; V134-A215 HydrophobicContact CG1-CB 4.44Å; V134-A215 HydrophobicContact CG2-CB 4.36Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 3.23Å; A212-A215 PolarHBondContact O-N 3.22Å; H213-A215 VanDerWaalsContact C-N 3.34Å; H213-A215 PolarHBondContact O-N 2.9Å; A215-A218 PolarHBondContact O-N 3.37Å; A215-A219 WeakPolarHBondContact O-CB 3.3Å; A215-A219 PolarHBondContact O-N 2.03Å |
| 216 | G | 98 | Very high | 95 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A64 A212 H213 A214 A218 A219 V220 | A64-G216 WeakPolarHBondContact CB-O 3.39Å; A212-G216 PolarHBondContact O-N 2.92Å; H213-G216 PolarHBondContact O-N 2.78Å; H213-G216 VanDerWaalsContact O-N 3.17Å; A214-G216 VanDerWaalsContact C-N 3.33Å; A214-G216 PolarHBondContact O-N 3.17Å; G216-A218 VanDerWaalsContact C-N 3.34Å; G216-A218 PolarHBondContact O-N 2.95Å; G216-A219 WeakPolarHBondContact O-CB 3.48Å; G216-A219 PolarHBondContact O-N 3.18Å; G216-V220 PolarHBondContact O-N 2.89Å |
| 217 | I | 97.7 | Very high | 94.3 | Very high | 9 Ų | 9 | 25 Ų | 25 | 5% | 0.046 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.8 | -66.3 | 165.3 | 0 | 0 | 0 | 110.5 | V63 H213 A214 A219 V220 I221 M237 A264 M266 | V63-I217 HydrophobicContact CG1-CG1 4.08Å; H213-I217 WeakPolarHBondContact O-CG1 3.4Å; H213-I217 PolarHBondContact O-N 2.94Å; A214-I217 PolarHBondContact O-N 3.02Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.88Å; I217-V220 PolarHBondContact O-N 2.86Å; I217-V220 VanDerWaalsContact O-N 3.12Å; I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 HydrophobicContact CG2-CG1 4.41Å; I217-I221 WeakPolarHBondContact O-CG1 3.28Å; I217-I221 PolarHBondContact O-N 3.31Å; I217-M237 HydrophobicContact CB-CE 4.32Å; I217-M237 HydrophobicContact CG2-CE 4.19Å; I217-M237 HydrophobicContact CG2-CG 4.25Å; I217-A264 HydrophobicContact CD1-CB 3.73Å; I217-M266 HydrophobicContact CB-SD 4.42Å; I217-M266 HydrophobicContact CG1-SD 3.71Å |
| 218 | A | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V106 A214 A215 G216 V220 I221 L222 V233 M237 | V106-A218 HydrophobicContact CG1-CB 4.43Å; V106-A218 HydrophobicContact CG2-CB 4.09Å; A214-A218 WeakPolarHBondContact O-CB 3.42Å; A214-A218 PolarHBondContact O-N 2.66Å; A215-A218 PolarHBondContact O-N 3.37Å; G216-A218 VanDerWaalsContact C-N 3.34Å; G216-A218 PolarHBondContact O-N 2.95Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.74Å; A218-I221 PolarHBondContact O-N 3.43Å; A218-L222 WeakPolarHBondContact O-CB 3.33Å; A218-L222 WeakPolarHBondContact O-CD1 3.03Å; A218-L222 VanDerWaalsContact O-CG 3.23Å; A218-L222 WeakPolarHBondContact O-CG 3.39Å; A218-L222 PolarHBondContact O-N 3.37Å; A218-V233 HydrophobicContact CB-CG1 3.75Å; A218-M237 HydrophobicContact CB-CE 3.95Å |
| 219 | A | 95.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -36.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2 V4 A64 A67 V106 A215 G216 I217 S223 | A2-A219 HydrophobicContact CB-CB 3.98Å; A2-A219 WeakPolarHBondContact CB-O 3.35Å; V4-A219 HydrophobicContact CG2-CB 4Å; A64-A219 HydrophobicContact CB-CB 4.03Å; A67-A219 HydrophobicContact CB-CB 4.35Å; V106-A219 HydrophobicContact CG2-CB 4.43Å; A215-A219 WeakPolarHBondContact O-CB 3.3Å; A215-A219 PolarHBondContact O-N 2.03Å; G216-A219 WeakPolarHBondContact O-CB 3.48Å; G216-A219 PolarHBondContact O-N 3.18Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.88Å; A219-S223 VanDerWaalsContact O-CB 3.27Å; A219-S223 WeakPolarHBondContact O-CB 3.04Å; A219-S223 PolarHBondContact O-N 2.69Å |
| 220 | V | 94.1 | Very high | 93.1 | Very high | 43 Ų | 43 | 27.8 Ų | 27.8 | 26% | 0.261 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -70.3 | -46 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 112 | A64 G216 I217 A218 L222 S223 S224 M266 | A64-V220 HydrophobicContact CB-CG2 3.91Å; G216-V220 PolarHBondContact O-N 2.89Å; I217-V220 PolarHBondContact O-N 2.86Å; I217-V220 VanDerWaalsContact O-N 3.12Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 2.74Å; V220-L222 PolarHBondContact O-N 2.81Å; V220-S223 PolarHBondContact O-N 2.77Å; V220-S224 PolarHBondContact O-N 3.02Å; V220-S224 VanDerWaalsContact O-N 3.09Å; V220-M266 HydrophobicContact CB-CE 3.97Å; V220-M266 HydrophobicContact CG1-CE 3.65Å; V220-M266 HydrophobicContact CG2-CE 3.99Å |
| 221 | I | 92.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -52.3 | -50.7 | 174.8 | -71.8 | 166.5 | 0 | 0 | 0 | 109.4 | I217 A218 S224 N225 V233 V236 M237 P267 T273 | I217-I221 HydrophobicContact CG2-CD1 3.86Å; I217-I221 HydrophobicContact CG2-CG1 4.41Å; I217-I221 WeakPolarHBondContact O-CG1 3.28Å; I217-I221 PolarHBondContact O-N 3.31Å; A218-I221 PolarHBondContact O-N 3.43Å; I221-S224 PolarHBondContact O-N 2.88Å; I221-S224 VanDerWaalsContact O-N 3.16Å; I221-S224 PolarHBondContact O-OG 2.99Å; I221-N225 PolarHBondContact O-N 2.82Å; I221-V233 HydrophobicContact CD1-CG1 4.28Å; I221-V233 HydrophobicContact CG2-CG1 4.38Å; I221-V233 HydrophobicContact CG2-CG2 4.17Å; I221-V236 HydrophobicContact CD1-CB 4.23Å; I221-V236 HydrophobicContact CD1-CG1 3.82Å; I221-V236 HydrophobicContact CG1-CG1 4.04Å; I221-V236 HydrophobicContact CG2-CG1 4.35Å; I221-M237 HydrophobicContact CD1-CB 4.29Å; I221-P267 HydrophobicContact CD1-CG 4.16Å; I221-P267 HydrophobicContact CG1-CG 3.73Å; I221-T273 HydrophobicContact CG2-CG2 3.79Å |
| 222 | L | 91.3 | Very high | 92.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -34.6 | -177.9 | -79.8 | 174.5 | 0 | 0 | 0 | 114 | V104 V106 A132 A218 V220 S224 N225 Q226 A228 V233 | V104-L222 HydrophobicContact CB-CB 4.46Å; V104-L222 HydrophobicContact CG1-CB 3.33Å; V104-L222 HydrophobicContact CG1-CD1 3.34Å; V104-L222 HydrophobicContact CG1-CD2 3.43Å; V104-L222 VanDerWaalsContact CG1-CD2 3.43Å; V104-L222 HydrophobicContact CG1-CG 3.43Å; V104-L222 VanDerWaalsContact CG1-CG 3.43Å; V106-L222 HydrophobicContact CG2-CD1 3.56Å; A132-L222 HydrophobicContact CB-CD1 4.2Å; A218-L222 WeakPolarHBondContact O-CB 3.33Å; A218-L222 WeakPolarHBondContact O-CD1 3.03Å; A218-L222 VanDerWaalsContact O-CG 3.23Å; A218-L222 WeakPolarHBondContact O-CG 3.39Å; A218-L222 PolarHBondContact O-N 3.37Å; V220-L222 PolarHBondContact O-N 2.81Å; L222-S224 VanDerWaalsContact C-N 3.26Å; L222-S224 PolarHBondContact O-N 2.89Å; L222-N225 CarbonylContact O-C 3.48Å; L222-N225 VanDerWaalsContact O-C 3.22Å; L222-N225 PolarHBondContact O-N 3.43Å; L222-Q226 WeakPolarHBondContact O-CA 3.41Å; L222-Q226 WeakPolarHBondContact O-CG 3.27Å; L222-Q226 PolarHBondContact O-N 2.98Å; L222-A228 HydrophobicContact CD2-CB 4.1Å; L222-V233 HydrophobicContact CD1-CG2 4.09Å; L222-V233 HydrophobicContact CD2-CG2 3.35Å; L222-V233 HydrophobicContact CG-CG2 3.71Å |
| 223 | S | 89.1 | Confident | 92.4 | Very high | 68 Ų | 68 | 31.1 Ų | 31.1 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.7 | -33.4 | 172.6 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | A219 V220 | A219-S223 VanDerWaalsContact O-CB 3.27Å; A219-S223 WeakPolarHBondContact O-CB 3.04Å; A219-S223 PolarHBondContact O-N 2.69Å; V220-S223 PolarHBondContact O-N 2.77Å |
| 224 | S | 86.8 | Confident | 92.3 | Very high | 55 Ų | 55 | 30 Ų | 30 | 39% | 0.385 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -81 | -28.8 | 177.2 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | V220 I221 L222 P272 | V220-S224 PolarHBondContact O-N 3.02Å; V220-S224 VanDerWaalsContact O-N 3.09Å; I221-S224 PolarHBondContact O-N 2.88Å; I221-S224 VanDerWaalsContact O-N 3.16Å; I221-S224 PolarHBondContact O-OG 2.99Å; L222-S224 VanDerWaalsContact C-N 3.26Å; L222-S224 PolarHBondContact O-N 2.89Å; S224-P272 VanDerWaalsContact CB-CG 3.48Å; S224-P272 WeakPolarHBondContact OG-CB 3.27Å; S224-P272 WeakPolarHBondContact OG-CG 3.48Å |
| 225 | N | 84.1 | Confident | 92.1 | Very high | 37 Ų | 37 | 30 Ų | 30 | 20% | 0.198 | 17% | 0.171 | C | C | . | . | trans | -141.6 | 91.9 | -179.8 | -177.9 | -1.3 | 0 | 0 | 0 | 110.2 | I221 L222 I227 A228 T273 | I221-N225 PolarHBondContact O-N 2.82Å; L222-N225 CarbonylContact O-C 3.48Å; L222-N225 VanDerWaalsContact O-C 3.22Å; L222-N225 PolarHBondContact O-N 3.43Å; N225-I227 PolarHBondContact O-N 2.95Å; N225-I227 WeakPolarHBondContact OD1-CG1 3.36Å; N225-I227 PolarHBondContact OD1-N 2.86Å; N225-A228 HydrophobicContact CB-CB 4.36Å; N225-A228 WeakPolarHBondContact O-CB 3.37Å; N225-A228 PolarHBondContact O-N 3.24Å; N225-A228 PolarHBondContact OD1-N 2.86Å; N225-T273 HydrophobicContact CB-CG2 3.63Å; N225-T273 WeakPolarHBondContact CB-OG1 2.97Å | ||
| 226 | Q | 81.9 | Confident | 91.9 | Very high | 101 Ų | 101 | 30.4 Ų | 30.4 | 47% | 0.472 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -6.1 | -173.5 | -64 | 171.9 | 36.4 | 0 | 0 | 113.7 | V104 L222 | V104-Q226 HydrophobicContact CG2-CB 3.65Å; V104-Q226 HydrophobicContact CG2-CG 3.89Å; V104-Q226 WeakPolarHBondContact CG2-O 3.44Å; L222-Q226 WeakPolarHBondContact O-CA 3.41Å; L222-Q226 WeakPolarHBondContact O-CG 3.27Å; L222-Q226 PolarHBondContact O-N 2.98Å |
| 227 | I | 82.9 | Confident | 91.8 | Very high | 157 Ų | 157 | 30.4 Ų | 30.4 | 81% | 0.805 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.5 | 176.7 | 62.8 | 167.9 | 0 | 0 | 0 | 112.6 | N225 S229 | N225-I227 PolarHBondContact O-N 2.95Å; N225-I227 WeakPolarHBondContact OD1-CG1 3.36Å; N225-I227 PolarHBondContact OD1-N 2.86Å; I227-S229 PolarHBondContact O-N 2.82Å |
| 228 | A | 86.8 | Confident | 91.7 | Very high | 12 Ų | 12 | 31 Ų | 31 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | trans | -67.6 | 127.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L222 N225 Q232 V233 | L222-A228 HydrophobicContact CD2-CB 4.1Å; N225-A228 HydrophobicContact CB-CB 4.36Å; N225-A228 WeakPolarHBondContact O-CB 3.37Å; N225-A228 PolarHBondContact O-N 3.24Å; N225-A228 PolarHBondContact OD1-N 2.86Å; A228-Q232 HydrophobicContact CB-CB 4.32Å; A228-V233 HydrophobicContact CB-CG2 4.31Å | ||
| 229 | S | 91.4 | Very high | 91.5 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -71.4 | 159.3 | 172.8 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | I227 V231 Q232 V233 | I227-S229 PolarHBondContact O-N 2.82Å; S229-V231 PolarHBondContact O-N 3.27Å; S229-V231 VanDerWaalsContact O-N 3.16Å; S229-V231 WeakPolarHBondContact OG-CG1 3.35Å; S229-Q232 WeakPolarHBondContact O-CA 3.29Å; S229-Q232 WeakPolarHBondContact O-CB 3.38Å; S229-Q232 PolarHBondContact O-N 3.11Å; S229-Q232 WeakPolarHBondContact OG-CG 3.28Å; S229-Q232 PolarHBondContact OG-N 3.35Å; S229-Q232 PolarHBondContact OG-OE1 3.07Å; S229-V233 PolarHBondContact O-N 2.85Å | ||
| 230 | P | 93.8 | Very high | 91.4 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 13% | 0.13 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.9 | -39.9 | 177.4 | -31.4 | 38 | 0 | 0 | 0 | 114 | V127 A131 V233 L234 | V127-P230 HydrophobicContact CG1-CB 3.71Å; V127-P230 HydrophobicContact CG1-CG 4.05Å; A131-P230 WeakPolarHBondContact O-CG 3.36Å; P230-V233 WeakPolarHBondContact O-CB 3.49Å; P230-V233 PolarHBondContact O-N 2.98Å; P230-L234 PolarHBondContact O-N 2.84Å |
| 231 | V | 93.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.2 | -29.7 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | S229 L234 Q235 C301 E304 | S229-V231 PolarHBondContact O-N 3.27Å; S229-V231 VanDerWaalsContact O-N 3.16Å; S229-V231 WeakPolarHBondContact OG-CG1 3.35Å; V231-L234 PolarHBondContact O-N 2.85Å; V231-Q235 WeakPolarHBondContact O-CB 3.43Å; V231-Q235 VanDerWaalsContact O-CG 3.27Å; V231-Q235 WeakPolarHBondContact O-CG 3.39Å; V231-Q235 PolarHBondContact O-N 2.9Å; V231-C301 HydrophobicContact CG2-CB 3.96Å; V231-E304 HydrophobicContact CG2-CG 3.54Å |
| 232 | Q | 93.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 29% | 0.29 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.4 | -38.5 | 170.2 | -72.7 | 173.2 | -39.2 | 0 | 0 | 111.1 | A228 S229 Q235 V236 V351 | A228-Q232 HydrophobicContact CB-CB 4.32Å; S229-Q232 WeakPolarHBondContact O-CA 3.29Å; S229-Q232 WeakPolarHBondContact O-CB 3.38Å; S229-Q232 PolarHBondContact O-N 3.11Å; S229-Q232 WeakPolarHBondContact OG-CG 3.28Å; S229-Q232 PolarHBondContact OG-N 3.35Å; S229-Q232 PolarHBondContact OG-OE1 3.07Å; Q232-Q235 PolarHBondContact O-N 2.83Å; Q232-V236 WeakPolarHBondContact O-CB 3.48Å; Q232-V236 VanDerWaalsContact O-CG2 3.25Å; Q232-V236 WeakPolarHBondContact O-CG2 3.4Å; Q232-V236 PolarHBondContact O-N 3Å; Q232-V351 HydrophobicContact CG-CG1 4.44Å; Q232-V351 HydrophobicContact CG-CG2 3.85Å |
| 233 | V | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 173.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | I156 A218 I221 L222 A228 S229 P230 V236 M237 | I156-V233 HydrophobicContact CD1-CG1 4.44Å; A218-V233 HydrophobicContact CB-CG1 3.75Å; I221-V233 HydrophobicContact CD1-CG1 4.28Å; I221-V233 HydrophobicContact CG2-CG1 4.38Å; I221-V233 HydrophobicContact CG2-CG2 4.17Å; L222-V233 HydrophobicContact CD1-CG2 4.09Å; L222-V233 HydrophobicContact CD2-CG2 3.35Å; L222-V233 HydrophobicContact CG-CG2 3.71Å; A228-V233 HydrophobicContact CB-CG2 4.31Å; S229-V233 PolarHBondContact O-N 2.85Å; P230-V233 WeakPolarHBondContact O-CB 3.49Å; P230-V233 PolarHBondContact O-N 2.98Å; V233-V236 PolarHBondContact O-N 2.84Å; V233-M237 WeakPolarHBondContact O-CB 3.4Å; V233-M237 PolarHBondContact O-N 2.94Å |
| 234 | L | 96.3 | Very high | 91.9 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -53.5 | 174.2 | 172.6 | 60.7 | 0 | 0 | 0 | 111.1 | I156 D182 P230 V231 V236 M237 L238 | I156-L234 HydrophobicContact CD1-CB 4.17Å; I156-L234 HydrophobicContact CG1-CB 4.21Å; I156-L234 HydrophobicContact CG1-CD1 4.17Å; I156-L234 HydrophobicContact CG2-CD1 4.23Å; D182-L234 HydrophobicContact CB-CD1 3.99Å; P230-L234 PolarHBondContact O-N 2.84Å; V231-L234 PolarHBondContact O-N 2.85Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 2.75Å; L234-M237 WeakPolarHBondContact O-CB 3.46Å; L234-M237 PolarHBondContact O-N 2.93Å; L234-M237 VanDerWaalsContact O-N 3.09Å; L234-L238 HydrophobicContact CD1-CD1 3.89Å; L234-L238 HydrophobicContact CD1-CD2 4.13Å; L234-L238 HydrophobicContact CD1-CG 3.84Å; L234-L238 HydrophobicContact CG-CD1 4.03Å; L234-L238 HydrophobicContact CG-CG 4.33Å; L234-L238 WeakPolarHBondContact O-CG 3.37Å; L234-L238 PolarHBondContact O-N 2.88Å |
| 235 | Q | 94.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -39.9 | -176.7 | -75.8 | -82.2 | -0.7 | 0 | 0 | 112.9 | V231 Q232 H239 L279 E304 C349 V351 | V231-Q235 WeakPolarHBondContact O-CB 3.43Å; V231-Q235 VanDerWaalsContact O-CG 3.27Å; V231-Q235 WeakPolarHBondContact O-CG 3.39Å; V231-Q235 PolarHBondContact O-N 2.9Å; Q232-Q235 PolarHBondContact O-N 2.83Å; Q235-H239 VanDerWaalsContact O-CB 3.25Å; Q235-H239 WeakPolarHBondContact O-CB 3.14Å; Q235-H239 PolarHBondContact O-N 2.89Å; Q235-L279 HydrophobicContact CB-CB 4.02Å; Q235-L279 HydrophobicContact CB-CD1 3.94Å; Q235-E304 PolarHBondContact NE2-OE1 3.25Å; Q235-C349 PolarHBondContact NE2-O 2.03Å; Q235-V351 HydrophobicContact CB-CG1 3.83Å; Q235-V351 HydrophobicContact CG-CG1 3.66Å |
| 236 | V | 94.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.4 | -42 | 174.5 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I221 Q232 V233 L234 H239 Y240 P267 T273 L279 | I221-V236 HydrophobicContact CD1-CB 4.23Å; I221-V236 HydrophobicContact CD1-CG1 3.82Å; I221-V236 HydrophobicContact CG1-CG1 4.04Å; I221-V236 HydrophobicContact CG2-CG1 4.35Å; Q232-V236 WeakPolarHBondContact O-CB 3.48Å; Q232-V236 VanDerWaalsContact O-CG2 3.25Å; Q232-V236 WeakPolarHBondContact O-CG2 3.4Å; Q232-V236 PolarHBondContact O-N 3Å; V233-V236 PolarHBondContact O-N 2.84Å; L234-V236 VanDerWaalsContact C-N 3.34Å; L234-V236 PolarHBondContact O-N 2.75Å; V236-H239 PolarHBondContact O-N 3.48Å; V236-Y240 HydrophobicContact CG1-CD2 3.77Å; V236-Y240 HydrophobicContact CG1-CE2 3.84Å; V236-Y240 WeakPolarHBondContact O-CD2 3.44Å; V236-Y240 PolarHBondContact O-N 2.86Å; V236-Y240 VanDerWaalsContact O-N 3.15Å; V236-P267 HydrophobicContact CG1-CG 4.33Å; V236-T273 HydrophobicContact CG2-CG2 4.49Å; V236-L279 HydrophobicContact CG2-CD1 3.83Å |
| 237 | M | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 177.9 | -168.7 | -175.7 | -64.8 | 0 | 0 | 111.3 | I156 L183 A214 I217 A218 I221 V233 L234 S241 | I156-M237 HydrophobicContact CD1-CE 4.48Å; I156-M237 HydrophobicContact CG2-SD 4.24Å; L183-M237 HydrophobicContact CD1-CG 3.61Å; L183-M237 HydrophobicContact CD1-SD 3.58Å; L183-M237 VanDerWaalsContact CD1-SD 3.58Å; L183-M237 HydrophobicContact CD2-SD 4Å; L183-M237 HydrophobicContact CG-SD 4.42Å; A214-M237 HydrophobicContact CB-CE 4.3Å; A214-M237 HydrophobicContact CB-SD 4.05Å; A214-M237 VanDerWaalsContact O-CE 3.28Å; A214-M237 WeakPolarHBondContact O-CE 3.39Å; I217-M237 HydrophobicContact CB-CE 4.32Å; I217-M237 HydrophobicContact CG2-CE 4.19Å; I217-M237 HydrophobicContact CG2-CG 4.25Å; A218-M237 HydrophobicContact CB-CE 3.95Å; I221-M237 HydrophobicContact CD1-CB 4.29Å; V233-M237 WeakPolarHBondContact O-CB 3.4Å; V233-M237 PolarHBondContact O-N 2.94Å; L234-M237 WeakPolarHBondContact O-CB 3.46Å; L234-M237 PolarHBondContact O-N 2.93Å; L234-M237 VanDerWaalsContact O-N 3.09Å; M237-S241 PolarHBondContact O-N 2.75Å; M237-S241 PolarHBondContact O-OG 2.94Å |
| 238 | L | 95.7 | Very high | 93.9 | Very high | 20 Ų | 20 | 34 Ų | 34 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 176 | -62.8 | 179.6 | 0 | 0 | 0 | 111.7 | D182 L183 L234 Y240 S241 L262 R281 | D182-L238 HydrophobicContact CB-CD2 4.49Å; D182-L238 WeakPolarHBondContact O-CD2 3.24Å; L183-L238 HydrophobicContact CB-CD2 4.08Å; L183-L238 HydrophobicContact CD2-CD2 4.43Å; L234-L238 HydrophobicContact CD1-CD1 3.89Å; L234-L238 HydrophobicContact CD1-CD2 4.13Å; L234-L238 HydrophobicContact CD1-CG 3.84Å; L234-L238 HydrophobicContact CG-CD1 4.03Å; L234-L238 HydrophobicContact CG-CG 4.33Å; L234-L238 WeakPolarHBondContact O-CG 3.37Å; L234-L238 PolarHBondContact O-N 2.88Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; L238-Y240 PolarHBondContact O-N 3.26Å; L238-S241 WeakPolarHBondContact O-CB 3.2Å; L238-S241 PolarHBondContact O-N 3.09Å; L238-L262 HydrophobicContact CB-CD1 4.43Å; L238-L262 HydrophobicContact CD2-CD1 3.74Å; L238-R281 HydrophobicContact CD1-CB 3.96Å; L238-R281 VanDerWaalsContact CD1-CD 3.48Å; L238-R281 HydrophobicContact CD1-CG 4.35Å |
| 239 | H | 92.7 | Very high | 94 | Very high | 95 Ų | 95 | 39.3 Ų | 39.3 | 44% | 0.44 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -41.8 | -179.4 | 177.4 | 75.1 | 0 | 0 | 0 | 112.9 | Q235 V236 L279 | Q235-H239 VanDerWaalsContact O-CB 3.25Å; Q235-H239 WeakPolarHBondContact O-CB 3.14Å; Q235-H239 PolarHBondContact O-N 2.89Å; V236-H239 PolarHBondContact O-N 3.48Å; H239-L279 HydrophobicContact CB-CD2 4.07Å |
| 240 | Y | 93.6 | Very high | 93.9 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -88.6 | -2.7 | -179.4 | -70.5 | -56.7 | 0 | 0 | 0 | 114.4 | V236 L238 P267 P268 N271 P274 | V236-Y240 HydrophobicContact CG1-CD2 3.77Å; V236-Y240 HydrophobicContact CG1-CE2 3.84Å; V236-Y240 WeakPolarHBondContact O-CD2 3.44Å; V236-Y240 PolarHBondContact O-N 2.86Å; V236-Y240 VanDerWaalsContact O-N 3.15Å; L238-Y240 VanDerWaalsContact C-N 3.35Å; L238-Y240 PolarHBondContact O-N 3.26Å; Y240-P267 HydrophobicContact CD2-CB 3.6Å; Y240-P267 HydrophobicContact CD2-CG 3.79Å; Y240-P267 HydrophobicContact CE2-CB 3.71Å; Y240-P267 HydrophobicContact CE2-CG 4.28Å; Y240-P267 HydrophobicContact CG-CB 4.3Å; Y240-P268 HydrophobicContact CD1-CG 4.47Å; Y240-P268 HydrophobicContact CE1-CG 3.82Å; Y240-N271 PolarHBondContact OH-O 3.46Å; Y240-P274 HydrophobicContact CE2-CG 4.43Å |
| 241 | S | 96.2 | Very high | 93.9 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.063 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -64.4 | 143.5 | 178.2 | -68.4 | 0 | 0 | 0 | 0 | 112 | M237 L238 S243 V263 | M237-S241 PolarHBondContact O-N 2.75Å; M237-S241 PolarHBondContact O-OG 2.94Å; L238-S241 WeakPolarHBondContact O-CB 3.2Å; L238-S241 PolarHBondContact O-N 3.09Å; S241-S243 PolarHBondContact O-N 3.45Å; S241-S243 PolarHBondContact O-OG 3.42Å; S241-V263 CarbonylContact C-O 3.59Å; S241-V263 VanDerWaalsContact CA-O 3.26Å; S241-V263 WeakPolarHBondContact CA-O 3.32Å; S241-V263 WeakPolarHBondContact CB-O 3.35Å |
| 242 | V | 95.8 | Very high | 93.9 | Very high | 71 Ų | 71 | 42.8 Ų | 42.8 | 43% | 0.43 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.1 | 170.3 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | T245 L262 V263 A265 | V242-T245 HydrophobicContact CG1-CG2 3.58Å; V242-L262 CarbonylContact O-C 3.6Å; V242-L262 WeakPolarHBondContact O-CA 3.3Å; V242-V263 HydrophobicContact CB-CB 4.44Å; V242-V263 PolarHBondContact N-O 3.08Å; V242-V263 PolarHBondContact O-N 2.93Å; V242-A265 HydrophobicContact CG2-CB 4.19Å |
| 243 | S | 93 | Very high | 93.6 | Very high | 63 Ų | 63 | 45.2 Ų | 45.2 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 148.5 | -173.5 | -57.1 | 0 | 0 | 0 | 0 | 112 | S241 T245 N261 L262 | S241-S243 PolarHBondContact O-N 3.45Å; S241-S243 PolarHBondContact O-OG 3.42Å; S243-T245 VanDerWaalsContact C-N 3.33Å; S243-T245 PolarHBondContact O-N 2.77Å; S243-N261 WeakPolarHBondContact CA-O 3.28Å; S243-L262 WeakPolarHBondContact OG-CD2 3.38Å |
| 244 | N | 92.1 | Very high | 93.2 | Very high | 112 Ų | 112 | 47.6 Ų | 47.6 | 60% | 0.599 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 62.4 | 29.1 | 168.9 | -58.5 | -46.5 | 0 | 0 | 0 | 115.7 | N261 | N244-N261 VanDerWaalsContact CA-CG 3.48Å; N244-N261 VanDerWaalsContact CA-OD1 3.29Å; N244-N261 WeakPolarHBondContact CA-OD1 3.29Å; N244-N261 PolarHBondContact N-O 3.26Å; N244-N261 PolarHBondContact N-OD1 3.12Å |
| 245 | T | 94.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 49.4 Ų | 49.4 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | trans | -99.7 | -22.9 | 174.2 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | D165 V242 S243 N261 | D165-T245 WeakPolarHBondContact OD2-CB 3.4Å; D165-T245 PolarHBondContact OD2-OG1 2.81Å; D165-T245 VanDerWaalsContact OD2-OG1 3.07Å; V242-T245 HydrophobicContact CG1-CG2 3.58Å; S243-T245 VanDerWaalsContact C-N 3.33Å; S243-T245 PolarHBondContact O-N 2.77Å; T245-N261 PolarHBondContact N-OD1 3.01Å; T245-N261 VanDerWaalsContact N-OD1 3.16Å | ||
| 246 | I | 96.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -76.5 | 133.3 | -174.4 | -45.6 | 171.1 | 0 | 0 | 0 | 110.9 | V161 D165 L167 F184 F248 N261 V263 | V161-I246 HydrophobicContact CG1-CD1 3.96Å; V161-I246 HydrophobicContact CG1-CG1 4.15Å; V161-I246 HydrophobicContact CG1-CG2 4.11Å; D165-I246 VanDerWaalsContact O-CA 3.3Å; D165-I246 WeakPolarHBondContact O-CA 3.32Å; D165-I246 WeakPolarHBondContact O-CG2 3.44Å; L167-I246 HydrophobicContact CD2-CG2 4.01Å; L167-I246 HydrophobicContact CG-CG2 4.25Å; F184-I246 HydrophobicContact CB-CD1 3.86Å; F184-I246 HydrophobicContact CD2-CD1 3.51Å; F184-I246 HydrophobicContact CE2-CD1 4.26Å; F184-I246 HydrophobicContact CG-CD1 3.71Å; I246-F248 HydrophobicContact CB-CD1 4.32Å; I246-F248 HydrophobicContact CB-CE1 3.73Å; I246-F248 HydrophobicContact CB-CZ 4.04Å; I246-F248 HydrophobicContact CD1-CE1 4.29Å; I246-F248 HydrophobicContact CD1-CZ 4.21Å; I246-F248 HydrophobicContact CG2-CD1 3.78Å; I246-F248 HydrophobicContact CG2-CE1 3.34Å; I246-F248 HydrophobicContact CG2-CZ 4.15Å; I246-N261 WeakPolarHBondContact CB-OD1 3.37Å; I246-N261 WeakPolarHBondContact CG1-OD1 3.48Å; I246-N261 PolarHBondContact N-OD1 2.88Å; I246-N261 PolarHBondContact O-ND2 2.92Å; I246-V263 HydrophobicContact CD1-CG2 3.69Å; I246-V263 HydrophobicContact CG1-CG2 3.58Å |
| 247 | N | 93.2 | Very high | 92.6 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -87.6 | 111.2 | 174.8 | -177.4 | -1 | 0 | 0 | 0 | 112 | D165 Q166 L249 | D165-N247 PolarHBondContact O-N 2.96Å; Q166-N247 VanDerWaalsContact OE1-CB 3.31Å; Q166-N247 PolarHBondContact OE1-ND2 3.06Å; N247-L249 VanDerWaalsContact OD1-CB 3.25Å; N247-L249 WeakPolarHBondContact OD1-CB 3.43Å; N247-L249 WeakPolarHBondContact OD1-CG 3.37Å; N247-L249 PolarHBondContact OD1-N 2.94Å |
| 248 | F | 93.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 6% | 0.061 | 30% | 0.302 | C | S | . | . | trans | -99.5 | 21.2 | 178.5 | -63.5 | -28.2 | 0 | 0 | 0 | 114.3 | L167 F184 I246 S250 L251 R256 T259 P260 N261 | L167-F248 HydrophobicContact CD1-CD1 4.16Å; L167-F248 HydrophobicContact CD2-CD1 4.33Å; L167-F248 HydrophobicContact CD2-CE1 3.95Å; L167-F248 HydrophobicContact CG-CD1 4.31Å; L167-F248 HydrophobicContact CG-CE1 4.41Å; F184-F248 HydrophobicContact CE2-CE1 4.4Å; F184-F248 HydrophobicContact CE2-CZ 4.23Å; I246-F248 HydrophobicContact CB-CD1 4.32Å; I246-F248 HydrophobicContact CB-CE1 3.73Å; I246-F248 HydrophobicContact CB-CZ 4.04Å; I246-F248 HydrophobicContact CD1-CE1 4.29Å; I246-F248 HydrophobicContact CD1-CZ 4.21Å; I246-F248 HydrophobicContact CG2-CD1 3.78Å; I246-F248 HydrophobicContact CG2-CE1 3.34Å; I246-F248 HydrophobicContact CG2-CZ 4.15Å; F248-S250 PolarHBondContact O-N 3.24Å; F248-L251 HydrophobicContact CB-CD1 4.08Å; F248-L251 HydrophobicContact CB-CG 4.32Å; F248-L251 HydrophobicContact CD1-CD1 3.91Å; F248-L251 HydrophobicContact CG-CD1 4Å; F248-L251 PolarHBondContact O-N 2.96Å; F248-L251 VanDerWaalsContact O-N 3.08Å; F248-R256 HydrophobicContact CB-CB 4.37Å; F248-R256 HydrophobicContact CB-CG 3.8Å; F248-R256 HydrophobicContact CD2-CG 4.3Å; F248-R256 PolarHBondContact O-NE 3.42Å; F248-R256 VanDerWaalsContact O-NE 3.1Å; F248-R256 PolarHBondContact O-NH2 3.42Å; F248-T259 HydrophobicContact CE1-CG2 4.11Å; F248-T259 HydrophobicContact CE2-CG2 4.2Å; F248-T259 WeakPolarHBondContact CE2-O 3.46Å; F248-T259 HydrophobicContact CZ-CG2 3.75Å; F248-P260 WeakPolarHBondContact CZ-O 3.37Å; F248-N261 HydrophobicContact CE2-CB 3.66Å; F248-N261 HydrophobicContact CZ-CB 4.05Å | ||
| 249 | L | 90.4 | Very high | 92.6 | Very high | 124 Ų | 124 | 55.5 Ų | 55.5 | 65% | 0.649 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27 | 178.5 | -74.8 | 176 | 0 | 0 | 0 | 113.2 | N247 L251 R256 | N247-L249 VanDerWaalsContact OD1-CB 3.25Å; N247-L249 WeakPolarHBondContact OD1-CB 3.43Å; N247-L249 WeakPolarHBondContact OD1-CG 3.37Å; N247-L249 PolarHBondContact OD1-N 2.94Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.34Å; L249-R256 PolarHBondContact O-NH2 3.47Å |
| 250 | S | 89.1 | Confident | 92.7 | Very high | 71 Ų | 71 | 52.3 Ų | 52.3 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -11.8 | 177.4 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | F248 | F248-S250 PolarHBondContact O-N 3.24Š|
| 251 | L | 93.7 | Very high | 92.8 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -92.1 | 152.4 | 179 | -57.3 | -173.4 | 0 | 0 | 0 | 111.6 | L167 F177 F248 L249 H255 T259 | L167-L251 HydrophobicContact CD1-CD1 4.13Å; L167-L251 HydrophobicContact CD1-CD2 3.85Å; L167-L251 HydrophobicContact CD1-CG 3.99Å; F177-L251 HydrophobicContact CB-CD1 4.13Å; F177-L251 HydrophobicContact CB-CD2 4.27Å; F177-L251 HydrophobicContact CD1-CD2 3.4Å; F177-L251 VanDerWaalsContact CD1-CD2 3.4Å; F177-L251 HydrophobicContact CD2-CD2 4.23Å; F177-L251 HydrophobicContact CE1-CD2 3.7Å; F177-L251 HydrophobicContact CG-CD1 4.32Å; F177-L251 HydrophobicContact CG-CD2 3.68Å; F177-L251 HydrophobicContact CZ-CD2 4.26Å; F248-L251 HydrophobicContact CB-CD1 4.08Å; F248-L251 HydrophobicContact CB-CG 4.32Å; F248-L251 HydrophobicContact CD1-CD1 3.91Å; F248-L251 HydrophobicContact CG-CD1 4Å; F248-L251 PolarHBondContact O-N 2.96Å; F248-L251 VanDerWaalsContact O-N 3.08Å; L249-L251 VanDerWaalsContact C-N 3.29Å; L249-L251 PolarHBondContact O-N 3.34Å; L251-H255 HydrophobicContact CB-CB 4.18Å; L251-H255 HydrophobicContact CD1-CB 4.39Å; L251-T259 HydrophobicContact CD1-CG2 4.38Å |
| 252 | S | 92.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 42% | 0.42 | 29% | 0.292 | S | S | . | . | trans | -60.3 | 158.4 | 168.2 | 72.2 | 0 | 0 | 0 | 0 | 110.7 | T254 H255 R256 | S252-T254 VanDerWaalsContact C-N 3.26Å; S252-T254 PolarHBondContact O-N 2.78Å; S252-H255 PolarHBondContact O-N 3.45Å; S252-H255 VanDerWaalsContact O-N 3.16Å; S252-H255 PolarHBondContact OG-N 3.27Å; S252-H255 PolarHBondContact OG-ND1 3.33Å; S252-R256 WeakPolarHBondContact O-CB 3.31Å; S252-R256 PolarHBondContact O-N 2.95Å | ||
| 253 | E | 87.1 | Confident | 93 | Very high | 113 Ų | 113 | 50.1 Ų | 50.1 | 53% | 0.528 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -57.5 | -40.9 | 179.6 | -173.7 | 175.5 | -171 | 0 | 0 | 112 | R256 L257 R472 | E253-R256 PolarHBondContact O-N 2.83Å; E253-L257 PolarHBondContact O-N 2.95Å; E253-L257 VanDerWaalsContact O-N 3.09Å; E253-R472 IonicContact OE1-CZ 2.92Å; E253-R472 IonicContact OE1-NH1 3.41Å; E253-R472 PolarHBondContact OE1-NH1 3.27Å; E253-R472 VanDerWaalsContact OE1-NH1 3.08Å; E253-R472 IonicContact OE1-NH2 3.38Å; E253-R472 PolarHBondContact OE1-NH2 2.98Å |
| 254 | T | 87.3 | Confident | 93.2 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 112 | S252 L257 T258 R287 F344 | S252-T254 VanDerWaalsContact C-N 3.26Å; S252-T254 PolarHBondContact O-N 2.78Å; T254-L257 WeakPolarHBondContact O-CB 3.23Å; T254-L257 PolarHBondContact O-N 3.06Å; T254-T258 PolarHBondContact O-N 3.41Å; T254-T258 PolarHBondContact O-OG1 3.46Å; T254-R287 PolarHBondContact OG1-NH2 2.89Å; T254-F344 HydrophobicContact CG2-CZ 3.78Å |
| 255 | H | 93.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 22% | 0.218 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.5 | -33.7 | 179.5 | -68.2 | 143.5 | 0 | 0 | 0 | 112.3 | F177 L251 S252 L257 T258 T259 | F177-H255 HydrophobicContact CD2-CB 4.02Å; F177-H255 AromaticContact CD2-CG 3.76Å; F177-H255 AromaticContact CD2-ND1 3.8Å; F177-H255 HydrophobicContact CE2-CB 4.32Å; F177-H255 AromaticContact CE2-CE1 3.56Å; F177-H255 AromaticContact CE2-CG 3.73Å; F177-H255 AromaticContact CE2-ND1 3.26Å; F177-H255 VanDerWaalsContact CE2-ND1 3.26Å; F177-H255 WeakPolarHBondContact CE2-ND1 3.4Å; L251-H255 HydrophobicContact CB-CB 4.18Å; L251-H255 HydrophobicContact CD1-CB 4.39Å; S252-H255 PolarHBondContact O-N 3.45Å; S252-H255 VanDerWaalsContact O-N 3.16Å; S252-H255 PolarHBondContact OG-N 3.27Å; S252-H255 PolarHBondContact OG-ND1 3.33Å; H255-L257 PolarHBondContact O-N 3.39Å; H255-T258 PolarHBondContact O-N 3.41Å; H255-T259 WeakPolarHBondContact O-CB 3.27Å; H255-T259 PolarHBondContact O-N 3.03Å; H255-T259 PolarHBondContact O-OG1 2.84Å |
| 256 | R | 91.9 | Very high | 93.4 | Very high | 108 Ų | 108 | 45.6 Ų | 45.6 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.2 | -36 | 172.8 | -175.4 | 179.7 | -55.7 | 161.1 | 10.7 | 111.8 | F248 L249 S252 E253 | F248-R256 HydrophobicContact CB-CB 4.37Å; F248-R256 HydrophobicContact CB-CG 3.8Å; F248-R256 HydrophobicContact CD2-CG 4.3Å; F248-R256 PolarHBondContact O-NE 3.42Å; F248-R256 VanDerWaalsContact O-NE 3.1Å; F248-R256 PolarHBondContact O-NH2 3.42Å; L249-R256 PolarHBondContact O-NH2 3.47Å; S252-R256 WeakPolarHBondContact O-CB 3.31Å; S252-R256 PolarHBondContact O-N 2.95Å; E253-R256 PolarHBondContact O-N 2.83Å |
| 257 | L | 87.5 | Confident | 93.1 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.3 | -41.2 | 179.2 | -177.8 | 67.7 | 0 | 0 | 0 | 112.6 | E253 T254 H255 W284 Y312 | E253-L257 PolarHBondContact O-N 2.95Å; E253-L257 VanDerWaalsContact O-N 3.09Å; T254-L257 WeakPolarHBondContact O-CB 3.23Å; T254-L257 PolarHBondContact O-N 3.06Å; H255-L257 PolarHBondContact O-N 3.39Å; L257-W284 HydrophobicContact CD1-CH2 3.66Å; L257-W284 HydrophobicContact CD1-CZ2 4Å; L257-W284 HydrophobicContact CD2-CH2 3.68Å; L257-W284 HydrophobicContact CD2-CZ3 3.73Å; L257-W284 HydrophobicContact CG-CH2 3.5Å; L257-W284 HydrophobicContact CG-CZ2 3.97Å; L257-W284 HydrophobicContact CG-CZ3 3.93Å; L257-Y312 HydrophobicContact CD1-CE2 4.42Å; L257-Y312 HydrophobicContact CD2-CD1 3.52Å; L257-Y312 HydrophobicContact CD2-CE1 3.25Å; L257-Y312 HydrophobicContact CD2-CE2 4.39Å; L257-Y312 HydrophobicContact CD2-CG 4.21Å |
| 258 | T | 93.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 7% | 0.067 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -97.6 | -13.3 | -170.8 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | R179 T254 H255 W284 F344 | R179-T258 WeakPolarHBondContact CA-O 3.42Å; T254-T258 PolarHBondContact O-N 3.41Å; T254-T258 PolarHBondContact O-OG1 3.46Å; H255-T258 PolarHBondContact O-N 3.41Å; T258-W284 HydrophobicContact CG2-CB 4.4Å; T258-W284 HydrophobicContact CG2-CD2 4.2Å; T258-W284 HydrophobicContact CG2-CE3 4.05Å; T258-W284 HydrophobicContact CG2-CG 4.37Å; T258-F344 HydrophobicContact CG2-CD1 4.44Å; T258-F344 HydrophobicContact CG2-CE1 4.06Å; T258-F344 HydrophobicContact CG2-CZ 4.5Å |
| 259 | T | 96.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.043 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -81.9 | 125.1 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | F177 G178 F184 F248 L251 H255 | F177-T259 HydrophobicContact CB-CG2 4.12Å; G178-T259 WeakPolarHBondContact CA-OG1 3.23Å; G178-T259 PolarHBondContact N-OG1 2.03Å; F184-T259 HydrophobicContact CE2-CG2 3.58Å; F184-T259 HydrophobicContact CZ-CG2 3.59Å; F248-T259 HydrophobicContact CE1-CG2 4.11Å; F248-T259 HydrophobicContact CE2-CG2 4.2Å; F248-T259 WeakPolarHBondContact CE2-O 3.46Å; F248-T259 HydrophobicContact CZ-CG2 3.75Å; L251-T259 HydrophobicContact CD1-CG2 4.38Å; H255-T259 WeakPolarHBondContact O-CB 3.27Å; H255-T259 PolarHBondContact O-N 3.03Å; H255-T259 PolarHBondContact O-OG1 2.84Å |
| 260 | P | 95.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | trans | -69.1 | 134.4 | 179.8 | 28.2 | -34.6 | 0 | 0 | 0 | 111.5 | V181 D182 F184 F248 L262 | V181-P260 HydrophobicContact CG1-CG 4.43Å; V181-P260 VanDerWaalsContact O-CD 3.24Å; V181-P260 WeakPolarHBondContact O-CD 3.4Å; V181-P260 WeakPolarHBondContact O-CG 3.47Å; D182-P260 VanDerWaalsContact O-CG 3.24Å; D182-P260 WeakPolarHBondContact O-CG 3.29Å; F184-P260 VanDerWaalsContact CE2-O 3.31Å; F184-P260 WeakPolarHBondContact CE2-O 3.48Å; F248-P260 WeakPolarHBondContact CZ-O 3.37Å; P260-L262 VanDerWaalsContact C-N 3.34Å; P260-L262 HydrophobicContact CB-CD1 4.2Å; P260-L262 HydrophobicContact CB-CG 4.3Å; P260-L262 PolarHBondContact O-N 2.93Å | ||
| 261 | N | 95.8 | Very high | 90.7 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 29% | 0.289 | C | S | . | . | trans | -93 | 68.3 | 174.7 | -160 | -37.6 | 0 | 0 | 0 | 110.5 | S243 N244 T245 I246 F248 | S243-N261 WeakPolarHBondContact CA-O 3.28Å; N244-N261 VanDerWaalsContact CA-CG 3.48Å; N244-N261 VanDerWaalsContact CA-OD1 3.29Å; N244-N261 WeakPolarHBondContact CA-OD1 3.29Å; N244-N261 PolarHBondContact N-O 3.26Å; N244-N261 PolarHBondContact N-OD1 3.12Å; T245-N261 PolarHBondContact N-OD1 3.01Å; T245-N261 VanDerWaalsContact N-OD1 3.16Å; I246-N261 WeakPolarHBondContact CB-OD1 3.37Å; I246-N261 WeakPolarHBondContact CG1-OD1 3.48Å; I246-N261 PolarHBondContact N-OD1 2.88Å; I246-N261 PolarHBondContact O-ND2 2.92Å; F248-N261 HydrophobicContact CE2-CB 3.66Å; F248-N261 HydrophobicContact CZ-CB 4.05Å | ||
| 262 | L | 97.3 | Very high | 89.3 | Confident | 32 Ų | 32 | 52 Ų | 52 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.5 | -174.2 | -63.1 | 176.2 | 0 | 0 | 0 | 109.6 | L183 F184 L238 V242 S243 P260 | L183-L262 HydrophobicContact CB-CB 4.05Å; F184-L262 WeakPolarHBondContact CB-O 3.19Å; F184-L262 PolarHBondContact N-O 3.19Å; L238-L262 HydrophobicContact CB-CD1 4.43Å; L238-L262 HydrophobicContact CD2-CD1 3.74Å; V242-L262 CarbonylContact O-C 3.6Å; V242-L262 WeakPolarHBondContact O-CA 3.3Å; S243-L262 WeakPolarHBondContact OG-CD2 3.38Å; P260-L262 VanDerWaalsContact C-N 3.34Å; P260-L262 HydrophobicContact CB-CD1 4.2Å; P260-L262 HydrophobicContact CB-CG 4.3Å; P260-L262 PolarHBondContact O-N 2.93Å |
| 263 | V | 98.5 | Very high | 88 | Confident | 12 Ų | 12 | 50 Ų | 50 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.4 | 170.8 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | V161 F184 S241 V242 I246 A265 | V161-V263 HydrophobicContact CG2-CG1 3.96Å; V161-V263 HydrophobicContact CG2-CG2 4.11Å; F184-V263 CarbonylContact O-C 3.59Å; F184-V263 WeakPolarHBondContact O-CA 3.35Å; S241-V263 CarbonylContact C-O 3.59Å; S241-V263 VanDerWaalsContact CA-O 3.26Å; S241-V263 WeakPolarHBondContact CA-O 3.32Å; S241-V263 WeakPolarHBondContact CB-O 3.35Å; V242-V263 HydrophobicContact CB-CB 4.44Å; V242-V263 PolarHBondContact N-O 3.08Å; V242-V263 PolarHBondContact O-N 2.93Å; I246-V263 HydrophobicContact CD1-CG2 3.69Å; I246-V263 HydrophobicContact CG1-CG2 3.58Å; V263-A265 PolarHBondContact O-N 3.22Å |
| 264 | A | 98.2 | Very high | 86.8 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | trans | -56.8 | 133.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | L183 F184 A185 I217 | L183-A264 HydrophobicContact CD1-CB 3.56Å; L183-A264 HydrophobicContact CG-CB 4.49Å; F184-A264 WeakPolarHBondContact O-CB 3.47Å; F184-A264 PolarHBondContact O-N 3.32Å; A185-A264 HydrophobicContact CB-CB 3.89Å; I217-A264 HydrophobicContact CD1-CB 3.73Å | ||
| 265 | A | 96.8 | Very high | 85.7 | Confident | 27 Ų | 27 | 47.8 Ų | 47.8 | 22% | 0.223 | 28% | 0.28 | C | S | . | . | trans | -136.6 | 158.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V242 V263 | V242-A265 HydrophobicContact CG2-CB 4.19Å; V263-A265 PolarHBondContact O-N 3.22Å | ||
| 266 | M | 94.2 | Very high | 84.8 | Confident | 93 Ų | 93 | 47.4 Ų | 47.4 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 131.9 | 177.8 | -76.6 | -66.6 | -60.8 | 0 | 0 | 110.7 | V63 I217 V220 | V63-M266 HydrophobicContact CG1-SD 3.96Å; I217-M266 HydrophobicContact CB-SD 4.42Å; I217-M266 HydrophobicContact CG1-SD 3.71Å; V220-M266 HydrophobicContact CB-CE 3.97Å; V220-M266 HydrophobicContact CG1-CE 3.65Å; V220-M266 HydrophobicContact CG2-CE 3.99Å |
| 267 | P | 90.1 | Very high | 84.5 | Confident | 10 Ų | 10 | 46.4 Ų | 46.4 | 7% | 0.065 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 145.5 | 166.5 | -25 | 33.7 | 0 | 0 | 0 | 111.2 | I221 V236 Y240 A269 P272 | I221-P267 HydrophobicContact CD1-CG 4.16Å; I221-P267 HydrophobicContact CG1-CG 3.73Å; V236-P267 HydrophobicContact CG1-CG 4.33Å; Y240-P267 HydrophobicContact CD2-CB 3.6Å; Y240-P267 HydrophobicContact CD2-CG 3.79Å; Y240-P267 HydrophobicContact CE2-CB 3.71Å; Y240-P267 HydrophobicContact CE2-CG 4.28Å; Y240-P267 HydrophobicContact CG-CB 4.3Å; P267-A269 PolarHBondContact O-N 3.02Å; P267-P272 HydrophobicContact CB-CB 4.36Å; P267-P272 WeakPolarHBondContact CB-O 3.35Å |
| 268 | P | 87.5 | Confident | 84.7 | Confident | 63 Ų | 63 | 45.1 Ų | 45.1 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 136.9 | 177 | 26.1 | -32.7 | 0 | 0 | 0 | 110.6 | Y240 N270 N271 | Y240-P268 HydrophobicContact CD1-CG 4.47Å; Y240-P268 HydrophobicContact CE1-CG 3.82Å; P268-N270 PolarHBondContact O-N 3.46Å; P268-N271 HydrophobicContact CG-CB 4.38Å; P268-N271 CarbonylContact O-C 3.57Å; P268-N271 VanDerWaalsContact O-C 3.23Å; P268-N271 PolarHBondContact O-N 3.19Å |
| 269 | A | 78.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 45.2 Ų | 45.2 | 79% | 0.785 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | P267 | P267-A269 PolarHBondContact O-N 3.02Š|
| 270 | N | 75.1 | Confident | 84.6 | Confident | 167 Ų | 167 | 45.9 Ų | 45.9 | 89% | 0.893 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -13.6 | -179.5 | -61.4 | -13.2 | 0 | 0 | 0 | 113.5 | P268 | P268-N270 PolarHBondContact O-N 3.46Š|
| 271 | N | 72.7 | Confident | 84.5 | Confident | 59 Ų | 59 | 46 Ų | 46 | 32% | 0.316 | 28% | 0.284 | S | S | . | . | trans | -149 | 61.5 | 178.5 | -167.2 | 16.5 | 0 | 0 | 0 | 111.2 | Y240 P268 T273 | Y240-N271 PolarHBondContact OH-O 3.46Å; P268-N271 HydrophobicContact CG-CB 4.38Å; P268-N271 CarbonylContact O-C 3.57Å; P268-N271 VanDerWaalsContact O-C 3.23Å; P268-N271 PolarHBondContact O-N 3.19Å; N271-T273 PolarHBondContact O-N 3.33Å; N271-T273 PolarHBondContact OD1-O 3Å | ||
| 272 | P | 64.2 | Low | 84.5 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 21% | 0.214 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -69.9 | -19.8 | -171.3 | 29.3 | -36 | 0 | 0 | 0 | 113.1 | S224 P267 | S224-P272 VanDerWaalsContact CB-CG 3.48Å; S224-P272 WeakPolarHBondContact OG-CB 3.27Å; S224-P272 WeakPolarHBondContact OG-CG 3.48Å; P267-P272 HydrophobicContact CB-CB 4.36Å; P267-P272 WeakPolarHBondContact CB-O 3.35Å |
| 273 | T | 66.4 | Low | 84.4 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -136.5 | 116 | 165.8 | 46.3 | 0 | 0 | 0 | 0 | 109.3 | I221 N225 V236 N271 S275 | I221-T273 HydrophobicContact CG2-CG2 3.79Å; N225-T273 HydrophobicContact CB-CG2 3.63Å; N225-T273 WeakPolarHBondContact CB-OG1 2.97Å; V236-T273 HydrophobicContact CG2-CG2 4.49Å; N271-T273 PolarHBondContact O-N 3.33Å; N271-T273 PolarHBondContact OD1-O 3Å; T273-S275 PolarHBondContact O-N 2.89Å |
| 274 | P | 61.8 | Low | 84.3 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.071 | 29% | 0.287 | C | S | . | . | trans | -70.6 | 78.6 | 176.5 | 28.2 | -32.6 | 0 | 0 | 0 | 109.7 | Y240 G276 E277 L279 | Y240-P274 HydrophobicContact CE2-CG 4.43Å; P274-G276 PolarHBondContact O-N 3.3Å; P274-E277 HydrophobicContact CB-CB 4.01Å; P274-E277 HydrophobicContact CB-CG 3.82Å; P274-E277 WeakPolarHBondContact CB-OE2 3.15Å; P274-E277 PolarHBondContact O-N 3.46Å; P274-L279 HydrophobicContact CG-CD1 4.29Å; P274-L279 HydrophobicContact CG-CD2 4.26Å | ||
| 275 | S | 64.1 | Low | 84.3 | Confident | 104 Ų | 104 | 46 Ų | 46 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 119.5 | -178.9 | 62.4 | 0 | 0 | 0 | 0 | 109.6 | T273 | T273-S275 PolarHBondContact O-N 2.89Š|
| 276 | G | 74.7 | Confident | 84.2 | Confident | 39 Ų | 39 | 51.2 Ų | 51.2 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 4.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | P274 V488 | P274-G276 PolarHBondContact O-N 3.3Å; G276-V488 WeakPolarHBondContact O-CB 3.27Å; G276-V488 WeakPolarHBondContact O-CG1 3.48Å |
| 277 | E | 85.7 | Confident | 84.3 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 40% | 0.402 | 29% | 0.294 | S | S | . | . | trans | -86.4 | 152.4 | 169.5 | -64.6 | -173.4 | -170.6 | 0 | 0 | 111.9 | P274 L279 V352 | P274-E277 HydrophobicContact CB-CB 4.01Å; P274-E277 HydrophobicContact CB-CG 3.82Å; P274-E277 WeakPolarHBondContact CB-OE2 3.15Å; P274-E277 PolarHBondContact O-N 3.46Å; E277-L279 HydrophobicContact CB-CD2 4.49Å; E277-L279 PolarHBondContact O-N 2.97Å; E277-V352 WeakPolarHBondContact O-CG2 3.42Å | ||
| 278 | L | 91.8 | Very high | 84.6 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -88.4 | 104 | 174.8 | -179.5 | 67.9 | 0 | 0 | 0 | 109.6 | M307 C350 V352 L355 L422 T446 T448 C486 V488 | L278-M307 HydrophobicContact CD1-SD 3.82Å; L278-M307 HydrophobicContact CD2-CE 4.16Å; L278-M307 HydrophobicContact CD2-SD 4.12Å; L278-M307 HydrophobicContact CG-SD 4.47Å; L278-C350 HydrophobicContact CD1-CB 4.04Å; L278-V352 HydrophobicContact CD1-CB 4.11Å; L278-V352 HydrophobicContact CD1-CG1 3.71Å; L278-L355 HydrophobicContact CD1-CD2 4.17Å; L278-L422 HydrophobicContact CD2-CD1 4.31Å; L278-T446 PolarHBondContact O-OG1 2.78Å; L278-T448 HydrophobicContact CD2-CG2 4.08Å; L278-C486 HydrophobicContact CD2-CB 3.64Å; L278-V488 HydrophobicContact CB-CG2 4.38Å | ||
| 279 | L | 92.8 | Very high | 84.9 | Confident | 13 Ų | 13 | 49 Ų | 49 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 136.8 | 177.1 | -55.3 | -179.5 | 0 | 0 | 0 | 109.6 | Q235 V236 H239 P274 E277 C350 V351 | Q235-L279 HydrophobicContact CB-CB 4.02Å; Q235-L279 HydrophobicContact CB-CD1 3.94Å; V236-L279 HydrophobicContact CG2-CD1 3.83Å; H239-L279 HydrophobicContact CB-CD2 4.07Å; P274-L279 HydrophobicContact CG-CD1 4.29Å; P274-L279 HydrophobicContact CG-CD2 4.26Å; E277-L279 HydrophobicContact CB-CD2 4.49Å; E277-L279 PolarHBondContact O-N 2.97Å; L279-C350 CarbonylContact O-C 3.34Å; L279-C350 WeakPolarHBondContact O-CA 3.03Å; L279-C350 WeakPolarHBondContact O-CB 3.27Å; L279-V351 HydrophobicContact CB-CG1 4.1Å; L279-V351 PolarHBondContact N-O 2.94Å; L279-V351 PolarHBondContact O-N 2.03Å |
| 280 | C | 94.1 | Very high | 85.5 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 14% | 0.142 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.7 | -179.5 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | C349 C350 T446 | C280-C349 CarbonylContact C-O 3.52Å; C280-C349 VanDerWaalsContact CA-O 3.27Å; C280-C349 WeakPolarHBondContact CA-O 2.99Å; C280-C350 HydrophobicContact CB-CB 4.06Å; C280-C350 WeakPolarHBondContact CB-SG 3.02Å; C280-C350 WeakPolarHBondContact SG-CB 3.42Å; C280-C350 CovalentContact SG-SG 2.03Å; C280-C350 PolarHBondContact SG-SG 2.93Å; C280-T446 HydrophobicContact CB-CG2 3.6Å; C280-T446 VanDerWaalsContact SG-CG2 3.54Å |
| 281 | R | 94.8 | Very high | 86.3 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 159.9 | 170.6 | 75 | -172.4 | 175.1 | 106.8 | 11.1 | 111 | D182 L238 V283 C301 E304 R348 C349 | D182-R281 IonicContact OD1-NH1 3.33Å; L238-R281 HydrophobicContact CD1-CB 3.96Å; L238-R281 VanDerWaalsContact CD1-CD 3.48Å; L238-R281 HydrophobicContact CD1-CG 4.35Å; R281-V283 HydrophobicContact CG-CG2 4.21Å; R281-C301 PolarHBondContact NH2-SG 3.45Å; R281-E304 IonicContact CZ-OE1 3.33Å; R281-E304 IonicContact CZ-OE2 2.71Å; R281-E304 IonicContact NE-OE1 2.9Å; R281-E304 PolarHBondContact NE-OE1 3.07Å; R281-E304 IonicContact NE-OE2 3.78Å; R281-E304 IonicContact NH2-OE1 2.91Å; R281-E304 PolarHBondContact NH2-OE1 2.83Å; R281-E304 IonicContact NH2-OE2 3.78Å; R281-E304 PolarHBondContact NH2-OE2 3.12Å; R281-R348 WeakPolarHBondContact O-CD 3.25Å; R281-C349 PolarHBondContact N-O 3.42Å; R281-C349 PolarHBondContact O-N 2.84Å |
| 282 | S | 94.8 | Very high | 86.9 | Confident | 30 Ų | 30 | 45.2 Ų | 45.2 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 129.4 | 175.1 | -59.7 | 0 | 0 | 0 | 0 | 109.7 | A347 R348 P464 | S282-A347 CarbonylContact C-O 3.45Å; S282-A347 WeakPolarHBondContact CA-O 3.27Å; S282-R348 PolarHBondContact OG-NH1 3.04Å; S282-P464 PolarHBondContact OG-O 3.17Å |
| 283 | V | 96.2 | Very high | 88 | Confident | 25 Ų | 25 | 47.3 Ų | 47.3 | 15% | 0.152 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.1 | 179.5 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | R281 S298 R299 V346 A347 C349 | R281-V283 HydrophobicContact CG-CG2 4.21Å; V283-S298 PolarHBondContact O-OG 2.03Å; V283-R299 WeakPolarHBondContact CG1-O 3.27Å; V283-V346 WeakPolarHBondContact O-CA 3.31Å; V283-A347 HydrophobicContact CB-CB 4.47Å; V283-A347 PolarHBondContact N-O 3.32Å; V283-A347 PolarHBondContact O-N 3.25Å; V283-C349 HydrophobicContact CG2-CB 4.09Å; V283-C349 VanDerWaalsContact CG2-SG 3.54Å |
| 284 | W | 96.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 49 Ų | 49 | 11% | 0.114 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 136.1 | -179.5 | -70.3 | 85.1 | 0 | 0 | 0 | 111.2 | R179 L257 T258 Y312 F344 V346 V463 | R179-W284 HydrophobicContact CB-CB 4.25Å; L257-W284 HydrophobicContact CD1-CH2 3.66Å; L257-W284 HydrophobicContact CD1-CZ2 4Å; L257-W284 HydrophobicContact CD2-CH2 3.68Å; L257-W284 HydrophobicContact CD2-CZ3 3.73Å; L257-W284 HydrophobicContact CG-CH2 3.5Å; L257-W284 HydrophobicContact CG-CZ2 3.97Å; L257-W284 HydrophobicContact CG-CZ3 3.93Å; T258-W284 HydrophobicContact CG2-CB 4.4Å; T258-W284 HydrophobicContact CG2-CD2 4.2Å; T258-W284 HydrophobicContact CG2-CE3 4.05Å; T258-W284 HydrophobicContact CG2-CG 4.37Å; W284-Y312 HydrophobicContact CH2-CG 4.26Å; W284-Y312 HydrophobicContact CZ3-CD1 4.45Å; W284-Y312 HydrophobicContact CZ3-CG 4.22Å; W284-F344 HydrophobicContact CE3-CB 3.83Å; W284-F344 HydrophobicContact CE3-CD1 4.26Å; W284-F344 HydrophobicContact CE3-CG 4.06Å; W284-F344 HydrophobicContact CZ3-CB 3.93Å; W284-F344 HydrophobicContact CZ3-CD2 4.46Å; W284-F344 HydrophobicContact CZ3-CG 4.14Å; W284-V346 HydrophobicContact CD2-CG1 4.45Å; W284-V346 HydrophobicContact CD2-CG2 3.82Å; W284-V346 HydrophobicContact CE3-CG2 3.51Å; W284-V346 HydrophobicContact CH2-CG2 4Å; W284-V346 HydrophobicContact CZ2-CG2 4.31Å; W284-V346 HydrophobicContact CZ3-CG2 3.6Å; W284-V463 HydrophobicContact CH2-CB 4.46Å; W284-V463 HydrophobicContact CH2-CG1 4.09Å; W284-V463 HydrophobicContact CH2-CG2 3.5Å; W284-V463 VanDerWaalsContact CH2-CG2 3.5Å; W284-V463 HydrophobicContact CZ2-CB 4.24Å; W284-V463 HydrophobicContact CZ2-CG1 3.41Å; W284-V463 VanDerWaalsContact CZ2-CG1 3.41Å; W284-V463 HydrophobicContact CZ2-CG2 3.75Å |
| 285 | S | 97 | Very high | 91 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -72 | 171.5 | 168.4 | 70 | 0 | 0 | 0 | 0 | 112 | R179 A296 V297 F344 A345 | R179-S285 VanDerWaalsContact CD-C 3.48Å; R179-S285 WeakPolarHBondContact CD-O 3.49Å; S285-A296 WeakPolarHBondContact OG-CB 3.35Å; S285-V297 VanDerWaalsContact CB-C 3.49Å; S285-V297 WeakPolarHBondContact CB-O 2.97Å; S285-F344 WeakPolarHBondContact O-CD1 3.34Å; S285-F344 WeakPolarHBondContact OG-CA 3.33Å; S285-A345 PolarHBondContact N-O 3.27Å; S285-A345 PolarHBondContact OG-N 3.03Å; S285-A345 PolarHBondContact OG-O 3.27Å |
| 286 | E | 95.5 | Very high | 92.5 | Very high | 137 Ų | 137 | 46.6 Ų | 46.6 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 154.7 | 154.5 | -166.1 | 174 | 175.9 | 0 | 0 | 110 | ||
| 287 | R | 95.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 47.3 Ų | 47.3 | 28% | 0.275 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -66 | 137.8 | 172 | -167.4 | -173.6 | -82.7 | -108.6 | 0.2 | 109 | T254 P314 N341 V343 F344 | T254-R287 PolarHBondContact OG1-NH2 2.89Å; R287-P314 VanDerWaalsContact NH2-CG 3.26Å; R287-N341 PolarHBondContact NH1-O 3.39Å; R287-V343 WeakPolarHBondContact CA-O 3.33Å; R287-F344 HydrophobicContact CB-CD1 4.24Å; R287-F344 HydrophobicContact CB-CE1 3.53Å; R287-F344 HydrophobicContact CB-CE2 4.26Å; R287-F344 HydrophobicContact CB-CZ 3.54Å; R287-F344 HydrophobicContact CG-CE1 4.17Å; R287-F344 HydrophobicContact CG-CE2 3.98Å; R287-F344 HydrophobicContact CG-CZ 3.75Å |
| 288 | S | 96.3 | Very high | 94.2 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 168.3 | 168.8 | 74.9 | 0 | 0 | 0 | 0 | 111.5 | T295 G342 V343 | S288-T295 WeakPolarHBondContact CB-O 3.5Å; S288-G342 WeakPolarHBondContact OG-CA 3.3Å; S288-V343 PolarHBondContact N-O 2.97Å; S288-V343 PolarHBondContact OG-N 3.12Å |
| 289 | G | 93.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 49.1 Ų | 49.1 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | trans | -67.5 | -174 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D294 G342 | G289-D294 WeakPolarHBondContact CA-OD2 3.5Å; G289-G342 WeakPolarHBondContact O-CA 3.43Å | ||
| 290 | L | 93.1 | Very high | 94.6 | Very high | 123 Ų | 123 | 49.4 Ų | 49.4 | 64% | 0.644 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -94.3 | -7.8 | -173.6 | -52.7 | 179.2 | 0 | 0 | 0 | 113.6 | D294 N336 N341 | L290-D294 PolarHBondContact N-OD2 2.86Å; L290-D294 VanDerWaalsContact N-OD2 3.08Å; L290-N336 PolarHBondContact O-ND2 2.96Å; L290-N341 HydrophobicContact CD2-CB 4.4Å |
| 291 | S | 91.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 41% | 0.413 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -73.3 | 149.9 | 177 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | A293 D294 N336 | S291-A293 PolarHBondContact O-N 3.49Å; S291-A293 PolarHBondContact OG-N 3.26Å; S291-D294 WeakPolarHBondContact CA-OD2 3.23Å; S291-D294 VanDerWaalsContact CB-CG 3.5Å; S291-D294 WeakPolarHBondContact CB-OD2 3.14Å; S291-D294 PolarHBondContact N-OD2 3.45Å; S291-D294 WeakPolarHBondContact O-CB 3.5Å; S291-D294 PolarHBondContact O-N 2.78Å; S291-N336 WeakPolarHBondContact O-CB 3.39Å; S291-N336 PolarHBondContact O-ND2 2.94Å |
| 292 | S | 84.8 | Confident | 94.6 | Very high | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.9 | 174.3 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | G337 | S292-G337 WeakPolarHBondContact CA-O 3.25Š|
| 293 | A | 87.9 | Confident | 94.4 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -9.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | S291 | S291-A293 PolarHBondContact O-N 3.49Å; S291-A293 PolarHBondContact OG-N 3.26Å |
| 294 | D | 94.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | trans | -73 | 141.1 | -177.4 | -67.3 | -27.4 | 0 | 0 | 0 | 110.5 | G289 L290 S291 N336 | G289-D294 WeakPolarHBondContact CA-OD2 3.5Å; L290-D294 PolarHBondContact N-OD2 2.86Å; L290-D294 VanDerWaalsContact N-OD2 3.08Å; S291-D294 WeakPolarHBondContact CA-OD2 3.23Å; S291-D294 VanDerWaalsContact CB-CG 3.5Å; S291-D294 WeakPolarHBondContact CB-OD2 3.14Å; S291-D294 PolarHBondContact N-OD2 3.45Å; S291-D294 WeakPolarHBondContact O-CB 3.5Å; S291-D294 PolarHBondContact O-N 2.78Å; D294-N336 WeakPolarHBondContact O-CB 3.28Å; D294-N336 PolarHBondContact O-N 3.03Å; D294-N336 VanDerWaalsContact O-N 3.15Å | ||
| 295 | T | 95.8 | Very high | 94.4 | Very high | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.3 | 179.9 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | S288 V333 A334 Y335 | S288-T295 WeakPolarHBondContact CB-O 3.5Å; T295-V333 HydrophobicContact CG2-CG1 4.19Å; T295-A334 CarbonylContact C-O 3.54Å; T295-A334 WeakPolarHBondContact CA-O 3.42Å; T295-A334 WeakPolarHBondContact CB-O 3.43Å; T295-Y335 HydrophobicContact CG2-CD1 3.37Å; T295-Y335 HydrophobicContact CG2-CE1 3.44Å; T295-Y335 VanDerWaalsContact CG2-CE1 3.44Å; T295-Y335 HydrophobicContact CG2-CG 4.04Å |
| 296 | A | 97.1 | Very high | 94.4 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 141.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S285 V333 A334 V343 A345 | S285-A296 WeakPolarHBondContact OG-CB 3.35Å; A296-V333 CarbonylContact O-C 3.51Å; A296-V333 WeakPolarHBondContact O-CA 3.49Å; A296-A334 HydrophobicContact CB-CB 4.45Å; A296-A334 PolarHBondContact N-O 3.25Å; A296-A334 PolarHBondContact O-N 2.86Å; A296-V343 HydrophobicContact CB-CG2 4.21Å; A296-V343 VanDerWaalsContact CB-O 3.29Å; A296-V343 WeakPolarHBondContact CB-O 3.34Å; A296-A345 HydrophobicContact CB-CB 4.35Å; A296-A345 WeakPolarHBondContact O-CB 3.42Å |
| 297 | V | 97.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 45.6 Ų | 45.6 | 33% | 0.333 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 126.5 | -174.8 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | S285 R299 E331 C332 V333 | S285-V297 VanDerWaalsContact CB-C 3.49Å; S285-V297 WeakPolarHBondContact CB-O 2.97Å; V297-R299 HydrophobicContact CG1-CG 4.44Å; V297-E331 HydrophobicContact CG1-CB 3.99Å; V297-E331 HydrophobicContact CG1-CG 4.41Å; V297-C332 CarbonylContact C-O 3.54Å; V297-C332 WeakPolarHBondContact CA-O 3.1Å; V297-V333 HydrophobicContact CG1-CG2 4.42Å; V297-V333 HydrophobicContact CG2-CG1 4.35Å; V297-V333 HydrophobicContact CG2-CG2 4.21Å |
| 298 | S | 97.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 146.1 | 172.8 | -175 | 0 | 0 | 0 | 0 | 111.4 | V283 C332 A345 A347 | V283-S298 PolarHBondContact O-OG 2.03Å; S298-C332 PolarHBondContact N-O 2.9Å; S298-C332 PolarHBondContact O-N 2.99Å; S298-A345 WeakPolarHBondContact CB-O 3.32Å; S298-A347 WeakPolarHBondContact OG-CB 3.37Å |
| 299 | R | 96.7 | Very high | 94.3 | Very high | 127 Ų | 127 | 41.7 Ų | 41.7 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | trans | -138.3 | 143.8 | -174.1 | -60.4 | 173.1 | -171.9 | -98.6 | -6.1 | 109.7 | V283 V297 E331 | V283-R299 WeakPolarHBondContact CG1-O 3.27Å; V297-R299 HydrophobicContact CG1-CG 4.44Å; R299-E331 HydrophobicContact CG-CG 4.34Å; R299-E331 IonicContact CZ-OE1 2.61Å; R299-E331 IonicContact CZ-OE2 2.92Å; R299-E331 VanDerWaalsContact NH1-CD 3.26Å; R299-E331 IonicContact NH1-OE1 2.74Å; R299-E331 PolarHBondContact NH1-OE1 3.02Å; R299-E331 IonicContact NH2-OE1 3.13Å; R299-E331 PolarHBondContact NH2-OE1 2.88Å; R299-E331 IonicContact NH2-OE2 2.64Å; R299-E331 PolarHBondContact NH2-OE2 3.2Å; R299-E331 VanDerWaalsContact NH2-OE2 3.13Å | ||
| 300 | C | 97 | Very high | 94.1 | Very high | 18 Ų | 18 | 40.2 Ų | 40.2 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -79.3 | 155.4 | 169.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | E304 C349 | C300-E304 HydrophobicContact CB-CB 3.79Å; C300-C349 WeakPolarHBondContact CA-SG 3.44Å; C300-C349 HydrophobicContact CB-CB 3.6Å; C300-C349 WeakPolarHBondContact CB-SG 3.03Å; C300-C349 WeakPolarHBondContact SG-CA 3.49Å; C300-C349 WeakPolarHBondContact SG-CB 3.37Å; C300-C349 CovalentContact SG-SG 2.03Å; C300-C349 PolarHBondContact SG-SG 3.4Å |
| 301 | C | 95.2 | Very high | 94 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -67.2 | 163.6 | 174.6 | -75.5 | 0 | 0 | 0 | 0 | 111.2 | P153 E154 V231 R281 G303 E304 | P153-C301 PolarHBondContact O-SG 2.9Å; E154-C301 WeakPolarHBondContact OE1-CA 2.99Å; E154-C301 WeakPolarHBondContact OE2-CB 3.46Å; V231-C301 HydrophobicContact CG2-CB 3.96Å; R281-C301 PolarHBondContact NH2-SG 3.45Å; C301-G303 PolarHBondContact O-N 3.02Å; C301-E304 WeakPolarHBondContact CB-OE2 3.44Å; C301-E304 PolarHBondContact N-OE2 2.97Å; C301-E304 PolarHBondContact O-N 3.03Å |
| 302 | V | 92.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 36% | 0.358 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 124.3 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 109.5 | E154 R329 | E154-V302 VanDerWaalsContact OE1-CG2 3.3Å; E154-V302 WeakPolarHBondContact OE1-CG2 3.45Å; E154-V302 PolarHBondContact OE1-N 3.16Å; E154-V302 PolarHBondContact OE2-N 3.11Å; V302-R329 VanDerWaalsContact CG2-NH2 3.31Å |
| 303 | G | 92.1 | Very high | 94 | Very high | 54 Ų | 54 | 29 Ų | 29 | 56% | 0.557 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -3.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C301 | C301-G303 PolarHBondContact O-N 3.02Š|
| 304 | E | 95.7 | Very high | 93.8 | Very high | 14 Ų | 14 | 27.4 Ų | 27.4 | 7% | 0.065 | 16% | 0.159 | C | C | . | . | trans | -94 | 152.1 | 166 | -73.8 | 171.4 | 150.7 | 0 | 0 | 111.4 | V231 Q235 R281 C300 C301 C349 C350 | V231-E304 HydrophobicContact CG2-CG 3.54Å; Q235-E304 PolarHBondContact NE2-OE1 3.25Å; R281-E304 IonicContact CZ-OE1 3.33Å; R281-E304 IonicContact CZ-OE2 2.71Å; R281-E304 IonicContact NE-OE1 2.9Å; R281-E304 PolarHBondContact NE-OE1 3.07Å; R281-E304 IonicContact NE-OE2 3.78Å; R281-E304 IonicContact NH2-OE1 2.91Å; R281-E304 PolarHBondContact NH2-OE1 2.83Å; R281-E304 IonicContact NH2-OE2 3.78Å; R281-E304 PolarHBondContact NH2-OE2 3.12Å; C300-E304 HydrophobicContact CB-CB 3.79Å; C301-E304 WeakPolarHBondContact CB-OE2 3.44Å; C301-E304 PolarHBondContact N-OE2 2.97Å; C301-E304 PolarHBondContact O-N 3.03Å; E304-C349 HydrophobicContact CB-CB 4.16Å; E304-C349 HydrophobicContact CG-CB 4.36Å; E304-C349 WeakPolarHBondContact OE2-CB 3.32Å; E304-C350 WeakPolarHBondContact CA-O 3.49Å | ||
| 305 | E | 96.3 | Very high | 93.3 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.2 | 169.2 | -68.1 | -70.5 | 152.3 | 0 | 0 | 109.8 | M307 C350 L355 C357 | E305-M307 PolarHBondContact O-N 3.41Å; E305-C350 PolarHBondContact N-O 3.38Å; E305-C350 PolarHBondContact O-N 3.02Å; E305-L355 HydrophobicContact CB-CD2 3.74Å; E305-L355 HydrophobicContact CB-CG 3.99Å; E305-L355 HydrophobicContact CG-CB 4.28Å; E305-L355 HydrophobicContact CG-CD2 4.15Å; E305-L355 HydrophobicContact CG-CG 3.96Å; E305-C357 HydrophobicContact CB-CB 4.15Å; E305-C357 WeakPolarHBondContact OE2-CB 3.32Å; E305-C357 PolarHBondContact OE2-N 2.87Å |
| 306 | M | 97.1 | Very high | 92.5 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 115.1 | 174.5 | -169.5 | 180 | -61.1 | 0 | 0 | 109 | G308 C309 L323 M330 C332 A347 V415 | M306-G308 WeakPolarHBondContact CG-O 3.34Å; M306-C309 HydrophobicContact SD-CB 4.3Å; M306-L323 HydrophobicContact SD-CD2 3.52Å; M306-L323 VanDerWaalsContact SD-CD2 3.52Å; M306-M330 HydrophobicContact CB-CB 4.25Å; M306-M330 HydrophobicContact CB-CE 3.87Å; M306-M330 HydrophobicContact CB-SD 4.47Å; M306-M330 HydrophobicContact CE-CB 4.13Å; M306-M330 VanDerWaalsContact CE-O 3.31Å; M306-M330 WeakPolarHBondContact CE-O 3.16Å; M306-M330 WeakPolarHBondContact O-CE 3.27Å; M306-M330 HydrophobicContact SD-CB 4.08Å; M306-C332 HydrophobicContact CE-CB 4.04Å; M306-C332 HydrophobicContact SD-CB 3.91Å; M306-A347 HydrophobicContact CE-CB 3.76Å; M306-A347 HydrophobicContact CG-CB 4.39Å; M306-A347 HydrophobicContact SD-CB 4.25Å; M306-V415 VanDerWaalsContact O-CG1 3.27Å; M306-V415 WeakPolarHBondContact O-CG1 3.18Å |
| 307 | M | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -14.2 | 179.2 | -63.3 | -170.4 | 78.4 | 0 | 0 | 113.2 | L278 E305 R348 C350 L355 T379 G380 C417 T448 | L278-M307 HydrophobicContact CD1-SD 3.82Å; L278-M307 HydrophobicContact CD2-CE 4.16Å; L278-M307 HydrophobicContact CD2-SD 4.12Å; L278-M307 HydrophobicContact CG-SD 4.47Å; E305-M307 PolarHBondContact O-N 3.41Å; M307-R348 PolarHBondContact N-O 3.01Å; M307-C350 HydrophobicContact CG-CB 3.83Å; M307-C350 HydrophobicContact SD-CB 3.39Å; M307-C350 WeakPolarHBondContact SD-CB 3.41Å; M307-C350 PolarHBondContact SD-SG 2.94Å; M307-L355 HydrophobicContact CE-CD1 4.3Å; M307-L355 HydrophobicContact CG-CD2 4.31Å; M307-L355 HydrophobicContact SD-CD1 4.49Å; M307-L355 HydrophobicContact SD-CD2 3.84Å; M307-T379 HydrophobicContact CE-CG2 3.36Å; M307-T379 CarbonylContact O-C 3.55Å; M307-T379 WeakPolarHBondContact O-CB 3.3Å; M307-T379 PolarHBondContact O-OG1 2.91Å; M307-G380 PolarHBondContact O-N 2.93Å; M307-C417 HydrophobicContact CE-CB 4.21Å; M307-T448 CarbonylContact C-O 3.58Å; M307-T448 HydrophobicContact CB-CG2 4.16Å; M307-T448 HydrophobicContact CE-CG2 3.71Å; M307-T448 HydrophobicContact SD-CG2 3.78Å |
| 308 | G | 94.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 163.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M306 R348 T448 | M306-G308 WeakPolarHBondContact CG-O 3.34Å; G308-R348 PolarHBondContact O-N 3.42Å; G308-T448 WeakPolarHBondContact CA-O 3.43Å; G308-T448 PolarHBondContact N-O 3.45Å |
| 309 | C | 93.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 127.2 | -179.7 | 166.3 | 0 | 0 | 0 | 0 | 108.8 | M306 L323 C332 V346 T382 | M306-C309 HydrophobicContact SD-CB 4.3Å; C309-L323 HydrophobicContact CB-CD2 3.7Å; C309-L323 HydrophobicContact CB-CG 4.43Å; C309-C332 VanDerWaalsContact CA-SG 3.56Å; C309-C332 HydrophobicContact CB-CB 3.69Å; C309-C332 WeakPolarHBondContact CB-SG 3.49Å; C309-C332 WeakPolarHBondContact SG-CA 3.42Å; C309-C332 WeakPolarHBondContact SG-CB 3.45Å; C309-C332 CovalentContact SG-SG 2.03Å; C309-C332 PolarHBondContact SG-SG 2.71Å; C309-V346 WeakPolarHBondContact CA-O 3.13Å; C309-T382 HydrophobicContact CB-CG2 3.76Å |
| 310 | S | 91 | Very high | 90.4 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 4% | 0.035 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 170.2 | 175 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | V346 S462 | S310-V346 PolarHBondContact N-O 2.91Å; S310-V346 PolarHBondContact O-N 3.17Å; S310-S462 WeakPolarHBondContact CB-O 3.45Å; S310-S462 PolarHBondContact OG-O 3.25Å |
| 311 | S | 89.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 149.5 | 172.1 | 58.1 | 0 | 0 | 0 | 0 | 112.6 | R318 E321 A334 F344 G461 | S311-R318 WeakPolarHBondContact OG-CD 3.02Å; S311-R318 PolarHBondContact OG-NH1 2.9Å; S311-E321 WeakPolarHBondContact CB-OE2 3.24Å; S311-E321 PolarHBondContact N-OE2 2.94Å; S311-E321 PolarHBondContact OG-OE2 2.84Å; S311-A334 VanDerWaalsContact CB-CB 3.48Å; S311-F344 CarbonylContact C-O 3.59Å; S311-F344 WeakPolarHBondContact CA-O 3.03Å; S311-G461 WeakPolarHBondContact O-CA 3.5Å |
| 312 | Y | 88.4 | Confident | 90.1 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 127.6 | 176.8 | -176 | -82.5 | 0 | 0 | 0 | 110.5 | L257 W284 P314 V343 F344 V460 V463 R472 | L257-Y312 HydrophobicContact CD1-CE2 4.42Å; L257-Y312 HydrophobicContact CD2-CD1 3.52Å; L257-Y312 HydrophobicContact CD2-CE1 3.25Å; L257-Y312 HydrophobicContact CD2-CE2 4.39Å; L257-Y312 HydrophobicContact CD2-CG 4.21Å; W284-Y312 HydrophobicContact CH2-CG 4.26Å; W284-Y312 HydrophobicContact CZ3-CD1 4.45Å; W284-Y312 HydrophobicContact CZ3-CG 4.22Å; Y312-P314 HydrophobicContact CD1-CG 4.39Å; Y312-P314 HydrophobicContact CE1-CB 4.27Å; Y312-P314 HydrophobicContact CE1-CG 3.92Å; Y312-V343 CarbonylContact O-C 3.53Å; Y312-V343 WeakPolarHBondContact O-CA 3.4Å; Y312-F344 HydrophobicContact CD1-CD2 4.09Å; Y312-F344 PolarHBondContact N-O 3.42Å; Y312-F344 PolarHBondContact O-N 3.02Å; Y312-V460 HydrophobicContact CD2-CG1 4.38Å; Y312-V460 HydrophobicContact CE1-CG1 4.09Å; Y312-V460 HydrophobicContact CE2-CG1 3.66Å; Y312-V460 VanDerWaalsContact CZ-CG1 3.49Å; Y312-V463 HydrophobicContact CD2-CG2 3.88Å; Y312-R472 PolarHBondContact OH-NH1 2.86Å; Y312-R472 VanDerWaalsContact OH-NH1 3.1Å |
| 313 | A | 88.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | trans | -126.4 | 115.1 | 177 | 0 | 0 | 0 | 0 | 0 | 107.8 | D315 G316 R318 V343 V460 | A313-D315 PolarHBondContact O-N 2.01Å; A313-D315 VanDerWaalsContact O-N 3.08Å; A313-G316 WeakPolarHBondContact O-CA 3.44Å; A313-G316 PolarHBondContact O-N 2.6Å; A313-R318 HydrophobicContact CB-CB 4.06Å; A313-R318 HydrophobicContact CB-CG 4.36Å; A313-V343 HydrophobicContact CB-CG1 3.81Å; A313-V460 PolarHBondContact N-O 2.88Å; A313-V460 CarbonylContact O-C 3.56Å; A313-V460 WeakPolarHBondContact O-CA 3.2Å; A313-V460 WeakPolarHBondContact O-CG1 3.46Å | ||
| 314 | P | 84.6 | Confident | 90.3 | Very high | 42 Ų | 42 | 15.7 Ų | 15.7 | 27% | 0.273 | 9% | 0.09 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25.9 | -175.1 | -22.7 | 30.1 | 0 | 0 | 0 | 114.9 | R287 Y312 F344 | R287-P314 VanDerWaalsContact NH2-CG 3.26Å; Y312-P314 HydrophobicContact CD1-CG 4.39Å; Y312-P314 HydrophobicContact CE1-CB 4.27Å; Y312-P314 HydrophobicContact CE1-CG 3.92Å; P314-F344 HydrophobicContact CG-CE2 4.46Å |
| 315 | D | 82.5 | Confident | 90.1 | Very high | 51 Ų | 51 | 22.2 Ų | 22.2 | 27% | 0.273 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.2 | 175.6 | 58.3 | 2.9 | 0 | 0 | 0 | 113.5 | A313 A317 G340 N341 | A313-D315 PolarHBondContact O-N 2.01Å; A313-D315 VanDerWaalsContact O-N 3.08Å; D315-A317 PolarHBondContact O-N 3.13Å; D315-A317 PolarHBondContact OD1-N 3.08Å; D315-A317 VanDerWaalsContact OD1-N 3.1Å; D315-G340 WeakPolarHBondContact OD2-CA 3.36Å; D315-N341 VanDerWaalsContact OD2-CB 3.27Å; D315-N341 WeakPolarHBondContact OD2-CB 3.24Å; D315-N341 VanDerWaalsContact OD2-CG 3.31Å; D315-N341 PolarHBondContact OD2-N 3.19Å; D315-N341 PolarHBondContact OD2-ND2 2.86Å |
| 316 | G | 80.2 | Confident | 89.7 | Confident | 10 Ų | 10 | 21.3 Ų | 21.3 | 10% | 0.103 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 75.1 | -0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | A313 R318 | A313-G316 WeakPolarHBondContact O-CA 3.44Å; A313-G316 PolarHBondContact O-N 2.6Å; G316-R318 PolarHBondContact O-N 3.47Å |
| 317 | A | 84.3 | Confident | 89.1 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 10% | 0.099 | 16% | 0.161 | C | C | . | . | trans | -86.4 | 95.8 | -178 | 0 | 0 | 0 | 0 | 0 | 110.7 | D315 G337 G340 | D315-A317 PolarHBondContact O-N 3.13Å; D315-A317 PolarHBondContact OD1-N 3.08Å; D315-A317 VanDerWaalsContact OD1-N 3.1Å; A317-G337 WeakPolarHBondContact O-CA 3.39Å; A317-G337 PolarHBondContact O-N 3.19Å; A317-G340 VanDerWaalsContact CB-CA 3.49Å | ||
| 318 | R | 86.2 | Confident | 88.6 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.3 | 179.7 | 63.8 | -172.4 | -176.2 | 92.4 | 2.8 | 111.6 | S311 A313 G316 E321 V343 V459 | S311-R318 WeakPolarHBondContact OG-CD 3.02Å; S311-R318 PolarHBondContact OG-NH1 2.9Å; A313-R318 HydrophobicContact CB-CB 4.06Å; A313-R318 HydrophobicContact CB-CG 4.36Å; G316-R318 PolarHBondContact O-N 3.47Å; R318-E321 IonicContact NH1-OE2 3.17Å; R318-E321 PolarHBondContact NH1-OE2 2.89Å; R318-E321 VanDerWaalsContact NH1-OE2 3.13Å; R318-V343 HydrophobicContact CB-CG1 3.94Å; R318-V459 PolarHBondContact NE-O 2.84Å |
| 319 | V | 86.8 | Confident | 88.4 | Confident | 15 Ų | 15 | 37.1 Ų | 37.1 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 10.3 | 174.1 | -53.9 | 0 | 0 | 0 | 0 | 112.9 | Y335 S385 E388 I389 | V319-Y335 HydrophobicContact CG2-CG 4.24Å; V319-Y335 PolarHBondContact N-O 2.94Å; V319-S385 WeakPolarHBondContact CB-O 3.23Å; V319-S385 PolarHBondContact O-N 2.93Å; V319-E388 HydrophobicContact CG1-CG 4.17Å; V319-I389 VanDerWaalsContact O-CD1 3.25Å; V319-I389 WeakPolarHBondContact O-CD1 3.3Å |
| 320 | G | 87.1 | Confident | 88.5 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 103.7 | -160.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y335 S383 | G320-Y335 PolarHBondContact O-N 2.91Å; G320-S383 CarbonylContact C-O 3.53Å; G320-S383 VanDerWaalsContact CA-O 3.25Å; G320-S383 WeakPolarHBondContact CA-O 3.33Å |
| 321 | E | 91.6 | Very high | 88.8 | Confident | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 152.6 | -176.4 | 65.4 | -66.2 | 132.7 | 0 | 0 | 111.8 | S311 R318 V333 T382 S383 | S311-E321 WeakPolarHBondContact CB-OE2 3.24Å; S311-E321 PolarHBondContact N-OE2 2.94Å; S311-E321 PolarHBondContact OG-OE2 2.84Å; R318-E321 IonicContact NH1-OE2 3.17Å; R318-E321 PolarHBondContact NH1-OE2 2.89Å; R318-E321 VanDerWaalsContact NH1-OE2 3.13Å; E321-V333 CarbonylContact C-O 3.6Å; E321-V333 WeakPolarHBondContact CA-O 3.24Å; E321-V333 WeakPolarHBondContact CB-O 3.25Å; E321-T382 HydrophobicContact CG-CG2 4.1Å; E321-T382 WeakPolarHBondContact O-CB 3.45Å; E321-S383 PolarHBondContact N-O 3.06Å; E321-S383 CarbonylContact O-C 3.51Å; E321-S383 PolarHBondContact O-N 3.19Å; E321-S383 PolarHBondContact OE1-N 3.32Å; E321-S383 VanDerWaalsContact OE1-N 3.11Å |
| 322 | T | 92.9 | Very high | 89.1 | Confident | 14 Ų | 14 | 38.9 Ų | 38.9 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 169.6 | 176.8 | -161.8 | 0 | 0 | 0 | 0 | 110.5 | T324 V333 Y335 H413 | T322-T324 HydrophobicContact CG2-CG2 4.07Å; T322-V333 HydrophobicContact CG2-CB 4.08Å; T322-V333 PolarHBondContact N-O 3.05Å; T322-V333 PolarHBondContact O-N 2.92Å; T322-Y335 HydrophobicContact CG2-CE2 3.64Å; T322-H413 PolarHBondContact OG1-CE1 3.21Å; T322-H413 PolarHBondContact OG1-ND1 3.08Å |
| 323 | L | 95.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.7 | 169.6 | -68 | 167.7 | 0 | 0 | 0 | 108.9 | M306 C309 E331 A359 T382 H413 V415 | M306-L323 HydrophobicContact SD-CD2 3.52Å; M306-L323 VanDerWaalsContact SD-CD2 3.52Å; C309-L323 HydrophobicContact CB-CD2 3.7Å; C309-L323 HydrophobicContact CB-CG 4.43Å; L323-E331 WeakPolarHBondContact CA-O 3.08Å; L323-A359 HydrophobicContact CB-CB 4.06Å; L323-A359 HydrophobicContact CD1-CB 3.76Å; L323-T382 HydrophobicContact CD1-CG2 4.09Å; L323-T382 HydrophobicContact CG-CG2 3.94Å; L323-H413 HydrophobicContact CB-CB 4.36Å; L323-H413 HydrophobicContact CD1-CB 3.96Å; L323-H413 HydrophobicContact CG-CB 4.44Å; L323-V415 HydrophobicContact CD1-CG2 3.41Å; L323-V415 VanDerWaalsContact CD1-CG2 3.41Å |
| 324 | T | 95.1 | Very high | 89.8 | Confident | 54 Ų | 54 | 39 Ų | 39 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 164 | 168.4 | 63.6 | 0 | 0 | 0 | 0 | 109.4 | T322 M330 E331 V333 | T322-T324 HydrophobicContact CG2-CG2 4.07Å; T324-M330 CarbonylContact O-C 3.59Å; T324-M330 WeakPolarHBondContact O-CA 3.42Å; T324-E331 PolarHBondContact N-O 2.94Å; T324-E331 PolarHBondContact O-N 3.39Å; T324-E331 WeakPolarHBondContact OG1-CB 3.24Å; T324-V333 HydrophobicContact CG2-CG2 4.1Å |
| 325 | E | 90.8 | Very high | 90.1 | Very high | 150 Ų | 150 | 39.9 Ų | 39.9 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.7 | 175.5 | -167.5 | 178.4 | 171.2 | 0 | 0 | 109.8 | G328 R329 | E325-G328 WeakPolarHBondContact OE1-CA 3.49Å; E325-R329 WeakPolarHBondContact CA-O 3.37Å |
| 326 | S | 88.1 | Confident | 90.6 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 28% | 0.28 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 125.8 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | G328 R329 E331 | S326-G328 PolarHBondContact O-N 2.9Å; S326-R329 PolarHBondContact N-O 2.86Å; S326-R329 PolarHBondContact O-N 3.05Å; S326-E331 WeakPolarHBondContact CB-OE1 3.44Å; S326-E331 PolarHBondContact OG-OE1 2.77Å; S326-E331 VanDerWaalsContact OG-OE1 3.12Å |
| 327 | N | 85.4 | Confident | 90.8 | Very high | 162 Ų | 162 | 37 Ų | 37 | 87% | 0.866 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 38.3 | -175.9 | -58.6 | -37.4 | 0 | 0 | 0 | 113.4 | R329 | N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 2.92Å |
| 328 | G | 84.5 | Confident | 90.9 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 60% | 0.598 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 17 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | E325 S326 | E325-G328 WeakPolarHBondContact OE1-CA 3.49Å; S326-G328 PolarHBondContact O-N 2.9Å |
| 329 | R | 89.9 | Confident | 90.8 | Very high | 117 Ų | 117 | 46.6 Ų | 46.6 | 44% | 0.442 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 141.9 | 178.3 | -63.8 | -173.3 | -177.9 | -168.9 | -0.2 | 111.4 | V302 E325 S326 N327 | V302-R329 VanDerWaalsContact CG2-NH2 3.31Å; E325-R329 WeakPolarHBondContact CA-O 3.37Å; S326-R329 PolarHBondContact N-O 2.86Å; S326-R329 PolarHBondContact O-N 3.05Å; N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 2.92Å |
| 330 | M | 95.5 | Very high | 90.7 | Very high | 28 Ų | 28 | 46 Ų | 46 | 14% | 0.138 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 138.3 | 173.1 | -69.5 | -179.1 | -80.7 | 0 | 0 | 111 | M306 T324 C357 A359 | M306-M330 HydrophobicContact CB-CB 4.25Å; M306-M330 HydrophobicContact CB-CE 3.87Å; M306-M330 HydrophobicContact CB-SD 4.47Å; M306-M330 HydrophobicContact CE-CB 4.13Å; M306-M330 VanDerWaalsContact CE-O 3.31Å; M306-M330 WeakPolarHBondContact CE-O 3.16Å; M306-M330 WeakPolarHBondContact O-CE 3.27Å; M306-M330 HydrophobicContact SD-CB 4.08Å; T324-M330 CarbonylContact O-C 3.59Å; T324-M330 WeakPolarHBondContact O-CA 3.42Å; M330-C357 HydrophobicContact CE-CB 3.66Å; M330-A359 HydrophobicContact SD-CB 3.97Å |
| 331 | E | 97.2 | Very high | 90.8 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.6 | 168.5 | -57 | 179.9 | -175.8 | 0 | 0 | 108.9 | V297 R299 L323 T324 S326 V333 | V297-E331 HydrophobicContact CG1-CB 3.99Å; V297-E331 HydrophobicContact CG1-CG 4.41Å; R299-E331 HydrophobicContact CG-CG 4.34Å; R299-E331 IonicContact CZ-OE1 2.61Å; R299-E331 IonicContact CZ-OE2 2.92Å; R299-E331 VanDerWaalsContact NH1-CD 3.26Å; R299-E331 IonicContact NH1-OE1 2.74Å; R299-E331 PolarHBondContact NH1-OE1 3.02Å; R299-E331 IonicContact NH2-OE1 3.13Å; R299-E331 PolarHBondContact NH2-OE1 2.88Å; R299-E331 IonicContact NH2-OE2 2.64Å; R299-E331 PolarHBondContact NH2-OE2 3.2Å; R299-E331 VanDerWaalsContact NH2-OE2 3.13Å; L323-E331 WeakPolarHBondContact CA-O 3.08Å; T324-E331 PolarHBondContact N-O 2.94Å; T324-E331 PolarHBondContact O-N 3.39Å; T324-E331 WeakPolarHBondContact OG1-CB 3.24Å; S326-E331 WeakPolarHBondContact CB-OE1 3.44Å; S326-E331 PolarHBondContact OG-OE1 2.77Å; S326-E331 VanDerWaalsContact OG-OE1 3.12Å; E331-V333 HydrophobicContact CB-CG2 4.21Å |
| 332 | C | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115.2 | 171.9 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | V297 S298 M306 C309 A345 A347 | V297-C332 CarbonylContact C-O 3.54Å; V297-C332 WeakPolarHBondContact CA-O 3.1Å; S298-C332 PolarHBondContact N-O 2.9Å; S298-C332 PolarHBondContact O-N 2.99Å; M306-C332 HydrophobicContact CE-CB 4.04Å; M306-C332 HydrophobicContact SD-CB 3.91Å; C309-C332 VanDerWaalsContact CA-SG 3.56Å; C309-C332 HydrophobicContact CB-CB 3.69Å; C309-C332 WeakPolarHBondContact CB-SG 3.49Å; C309-C332 WeakPolarHBondContact SG-CA 3.42Å; C309-C332 WeakPolarHBondContact SG-CB 3.45Å; C309-C332 CovalentContact SG-SG 2.03Å; C309-C332 PolarHBondContact SG-SG 2.71Å; C332-A345 VanDerWaalsContact O-CB 3.29Å; C332-A345 WeakPolarHBondContact O-CB 3.17Å; C332-A347 HydrophobicContact CB-CB 4.05Å |
| 333 | V | 96.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.1 | -174.6 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | T295 A296 V297 E321 T322 T324 E331 Y335 | T295-V333 HydrophobicContact CG2-CG1 4.19Å; A296-V333 CarbonylContact O-C 3.51Å; A296-V333 WeakPolarHBondContact O-CA 3.49Å; V297-V333 HydrophobicContact CG1-CG2 4.42Å; V297-V333 HydrophobicContact CG2-CG1 4.35Å; V297-V333 HydrophobicContact CG2-CG2 4.21Å; E321-V333 CarbonylContact C-O 3.6Å; E321-V333 WeakPolarHBondContact CA-O 3.24Å; E321-V333 WeakPolarHBondContact CB-O 3.25Å; T322-V333 HydrophobicContact CG2-CB 4.08Å; T322-V333 PolarHBondContact N-O 3.05Å; T322-V333 PolarHBondContact O-N 2.92Å; T324-V333 HydrophobicContact CG2-CG2 4.1Å; E331-V333 HydrophobicContact CB-CG2 4.21Å; V333-Y335 HydrophobicContact CB-CE2 4.42Å; V333-Y335 HydrophobicContact CG1-CE2 3.88Å |
| 334 | A | 94.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 143.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T295 A296 S311 V343 F344 A345 | T295-A334 CarbonylContact C-O 3.54Å; T295-A334 WeakPolarHBondContact CA-O 3.42Å; T295-A334 WeakPolarHBondContact CB-O 3.43Å; A296-A334 HydrophobicContact CB-CB 4.45Å; A296-A334 PolarHBondContact N-O 3.25Å; A296-A334 PolarHBondContact O-N 2.86Å; S311-A334 VanDerWaalsContact CB-CB 3.48Å; A334-V343 HydrophobicContact CB-CB 4.44Å; A334-V343 HydrophobicContact CB-CG2 3.91Å; A334-F344 WeakPolarHBondContact CB-O 3.12Å; A334-A345 HydrophobicContact CB-CB 3.78Å |
| 335 | Y | 91.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 23% | 0.231 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 132.5 | -177.1 | -66.7 | -98.5 | 0 | 0 | 0 | 111.8 | T295 V319 G320 T322 V333 W384 | T295-Y335 HydrophobicContact CG2-CD1 3.37Å; T295-Y335 HydrophobicContact CG2-CE1 3.44Å; T295-Y335 VanDerWaalsContact CG2-CE1 3.44Å; T295-Y335 HydrophobicContact CG2-CG 4.04Å; V319-Y335 HydrophobicContact CG2-CG 4.24Å; V319-Y335 PolarHBondContact N-O 2.94Å; G320-Y335 PolarHBondContact O-N 2.91Å; T322-Y335 HydrophobicContact CG2-CE2 3.64Å; V333-Y335 HydrophobicContact CB-CE2 4.42Å; V333-Y335 HydrophobicContact CG1-CE2 3.88Å; Y335-W384 AromaticContact CD1-NE1 3.77Å; Y335-W384 AromaticContact CD2-CD1 3.24Å; Y335-W384 HydrophobicContact CD2-CG 4.24Å; Y335-W384 AromaticContact CD2-NE1 3.41Å; Y335-W384 AromaticContact CE2-CD1 3.63Å; Y335-W384 HydrophobicContact CE2-CG 4.28Å; Y335-W384 AromaticContact CE2-NE1 3.72Å; Y335-W384 AromaticContact CG-CD1 3.71Å; Y335-W384 AromaticContact CG-NE1 3.44Å |
| 336 | N | 91.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 152.2 | 178.1 | -166.2 | 30.6 | 0 | 0 | 0 | 112.5 | L290 S291 D294 G340 G342 V343 | L290-N336 PolarHBondContact O-ND2 2.96Å; S291-N336 WeakPolarHBondContact O-CB 3.39Å; S291-N336 PolarHBondContact O-ND2 2.94Å; D294-N336 WeakPolarHBondContact O-CB 3.28Å; D294-N336 PolarHBondContact O-N 3.03Å; D294-N336 VanDerWaalsContact O-N 3.15Å; N336-G340 PolarHBondContact ND2-O 3.01Å; N336-G340 WeakPolarHBondContact OD1-CA 3.14Å; N336-G340 PolarHBondContact OD1-O 2.83Å; N336-G342 PolarHBondContact OD1-N 2.9Å; N336-V343 HydrophobicContact CB-CG1 4.29Å; N336-V343 HydrophobicContact CB-CG2 4.32Å |
| 337 | G | 86.2 | Confident | 91.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -76.2 | 168.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S292 A317 T339 G340 | S292-G337 WeakPolarHBondContact CA-O 3.25Å; A317-G337 WeakPolarHBondContact O-CA 3.39Å; A317-G337 PolarHBondContact O-N 3.19Å; G337-T339 PolarHBondContact O-N 3.46Å; G337-G340 PolarHBondContact O-N 2.9Å | ||
| 338 | L | 85.4 | Confident | 92 | Very high | 124 Ų | 124 | 30 Ų | 30 | 65% | 0.649 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -35.7 | 176.6 | -87.7 | 154.6 | 0 | 0 | 0 | 111.7 | E388 | L338-E388 PolarHBondContact N-OE1 3.27Š|
| 339 | T | 84.3 | Confident | 92.6 | Very high | 108 Ų | 108 | 27.2 Ų | 27.2 | 66% | 0.663 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 18.2 | 177.8 | 62.8 | 0 | 0 | 0 | 0 | 112.5 | G337 | G337-T339 PolarHBondContact O-N 3.46Š|
| 340 | G | 84.4 | Confident | 92.9 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 4% | 0.041 | 11% | 0.114 | C | C | . | . | trans | -85.9 | 143.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | D315 A317 N336 G337 G342 | D315-G340 WeakPolarHBondContact OD2-CA 3.36Å; A317-G340 VanDerWaalsContact CB-CA 3.49Å; N336-G340 PolarHBondContact ND2-O 3.01Å; N336-G340 WeakPolarHBondContact OD1-CA 3.14Å; N336-G340 PolarHBondContact OD1-O 2.83Å; G337-G340 PolarHBondContact O-N 2.9Å; G340-G342 PolarHBondContact O-N 2.82Å | ||
| 341 | N | 89.7 | Confident | 92.8 | Very high | 93 Ų | 93 | 20.9 Ų | 20.9 | 50% | 0.497 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -91.9 | 33.5 | 178.4 | -63.8 | -62.5 | 0 | 0 | 0 | 112.3 | R287 L290 D315 | R287-N341 PolarHBondContact NH1-O 3.39Å; L290-N341 HydrophobicContact CD2-CB 4.4Å; D315-N341 VanDerWaalsContact OD2-CB 3.27Å; D315-N341 WeakPolarHBondContact OD2-CB 3.24Å; D315-N341 VanDerWaalsContact OD2-CG 3.31Å; D315-N341 PolarHBondContact OD2-N 3.19Å; D315-N341 PolarHBondContact OD2-ND2 2.86Å |
| 342 | G | 92.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | 85.4 | 152 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | S288 G289 N336 G340 | S288-G342 WeakPolarHBondContact OG-CA 3.3Å; G289-G342 WeakPolarHBondContact O-CA 3.43Å; N336-G342 PolarHBondContact OD1-N 2.9Å; G340-G342 PolarHBondContact O-N 2.82Å | ||
| 343 | V | 93 | Very high | 92 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -122.3 | 161.9 | -174 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | R287 S288 A296 Y312 A313 R318 A334 N336 | R287-V343 WeakPolarHBondContact CA-O 3.33Å; S288-V343 PolarHBondContact N-O 2.97Å; S288-V343 PolarHBondContact OG-N 3.12Å; A296-V343 HydrophobicContact CB-CG2 4.21Å; A296-V343 VanDerWaalsContact CB-O 3.29Å; A296-V343 WeakPolarHBondContact CB-O 3.34Å; Y312-V343 CarbonylContact O-C 3.53Å; Y312-V343 WeakPolarHBondContact O-CA 3.4Å; A313-V343 HydrophobicContact CB-CG1 3.81Å; R318-V343 HydrophobicContact CB-CG1 3.94Å; A334-V343 HydrophobicContact CB-CB 4.44Å; A334-V343 HydrophobicContact CB-CG2 3.91Å; N336-V343 HydrophobicContact CB-CG1 4.29Å; N336-V343 HydrophobicContact CB-CG2 4.32Å | ||
| 344 | F | 95 | Very high | 91.5 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 2% | 0.022 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.7 | 167.4 | -61.3 | -90.1 | 0 | 0 | 0 | 109.2 | T254 T258 W284 S285 R287 S311 Y312 P314 A334 | T254-F344 HydrophobicContact CG2-CZ 3.78Å; T258-F344 HydrophobicContact CG2-CD1 4.44Å; T258-F344 HydrophobicContact CG2-CE1 4.06Å; T258-F344 HydrophobicContact CG2-CZ 4.5Å; W284-F344 HydrophobicContact CE3-CB 3.83Å; W284-F344 HydrophobicContact CE3-CD1 4.26Å; W284-F344 HydrophobicContact CE3-CG 4.06Å; W284-F344 HydrophobicContact CZ3-CB 3.93Å; W284-F344 HydrophobicContact CZ3-CD2 4.46Å; W284-F344 HydrophobicContact CZ3-CG 4.14Å; S285-F344 WeakPolarHBondContact O-CD1 3.34Å; S285-F344 WeakPolarHBondContact OG-CA 3.33Å; R287-F344 HydrophobicContact CB-CD1 4.24Å; R287-F344 HydrophobicContact CB-CE1 3.53Å; R287-F344 HydrophobicContact CB-CE2 4.26Å; R287-F344 HydrophobicContact CB-CZ 3.54Å; R287-F344 HydrophobicContact CG-CE1 4.17Å; R287-F344 HydrophobicContact CG-CE2 3.98Å; R287-F344 HydrophobicContact CG-CZ 3.75Å; S311-F344 CarbonylContact C-O 3.59Å; S311-F344 WeakPolarHBondContact CA-O 3.03Å; Y312-F344 HydrophobicContact CD1-CD2 4.09Å; Y312-F344 PolarHBondContact N-O 3.42Å; Y312-F344 PolarHBondContact O-N 3.02Å; P314-F344 HydrophobicContact CG-CE2 4.46Å; A334-F344 WeakPolarHBondContact CB-O 3.12Å |
| 345 | A | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109 | S285 A296 S298 C332 A334 | S285-A345 PolarHBondContact N-O 3.27Å; S285-A345 PolarHBondContact OG-N 3.03Å; S285-A345 PolarHBondContact OG-O 3.27Å; A296-A345 HydrophobicContact CB-CB 4.35Å; A296-A345 WeakPolarHBondContact O-CB 3.42Å; S298-A345 WeakPolarHBondContact CB-O 3.32Å; C332-A345 VanDerWaalsContact O-CB 3.29Å; C332-A345 WeakPolarHBondContact O-CB 3.17Å; A334-A345 HydrophobicContact CB-CB 3.78Å |
| 346 | V | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 104.4 | -179.9 | -170.8 | 0 | 0 | 0 | 0 | 108.3 | V283 W284 C309 S310 | V283-V346 WeakPolarHBondContact O-CA 3.31Å; W284-V346 HydrophobicContact CD2-CG1 4.45Å; W284-V346 HydrophobicContact CD2-CG2 3.82Å; W284-V346 HydrophobicContact CE3-CG2 3.51Å; W284-V346 HydrophobicContact CH2-CG2 4Å; W284-V346 HydrophobicContact CZ2-CG2 4.31Å; W284-V346 HydrophobicContact CZ3-CG2 3.6Å; C309-V346 WeakPolarHBondContact CA-O 3.13Å; S310-V346 PolarHBondContact N-O 2.91Å; S310-V346 PolarHBondContact O-N 3.17Å |
| 347 | A | 96.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 139.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S282 V283 S298 M306 C332 | S282-A347 CarbonylContact C-O 3.45Å; S282-A347 WeakPolarHBondContact CA-O 3.27Å; V283-A347 HydrophobicContact CB-CB 4.47Å; V283-A347 PolarHBondContact N-O 3.32Å; V283-A347 PolarHBondContact O-N 3.25Å; S298-A347 WeakPolarHBondContact OG-CB 3.37Å; M306-A347 HydrophobicContact CE-CB 3.76Å; M306-A347 HydrophobicContact CG-CB 4.39Å; M306-A347 HydrophobicContact SD-CB 4.25Å; C332-A347 HydrophobicContact CB-CB 4.05Å |
| 348 | R | 96.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.019 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 103.6 | 171.3 | -168.6 | 61.7 | 167.8 | -174.6 | 1.8 | 109.1 | R281 S282 M307 G308 V447 T448 P464 G466 | R281-R348 WeakPolarHBondContact O-CD 3.25Å; S282-R348 PolarHBondContact OG-NH1 3.04Å; M307-R348 PolarHBondContact N-O 3.01Å; G308-R348 PolarHBondContact O-N 3.42Å; R348-V447 PolarHBondContact NE-O 2.81Å; R348-V447 PolarHBondContact NH2-O 3.29Å; R348-T448 WeakPolarHBondContact CB-O 3.35Å; R348-T448 VanDerWaalsContact CG-O 3.28Å; R348-T448 WeakPolarHBondContact CG-O 3.32Å; R348-P464 HydrophobicContact CB-CG 4.48Å; R348-P464 HydrophobicContact CG-CG 4.41Å; R348-P464 PolarHBondContact NH1-O 2.71Å; R348-G466 PolarHBondContact NH2-O 3.47Å |
| 349 | C | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.8 | -169.4 | -58.4 | 0 | 0 | 0 | 0 | 110.2 | Q235 C280 R281 V283 C300 E304 | Q235-C349 PolarHBondContact NE2-O 2.03Å; C280-C349 CarbonylContact C-O 3.52Å; C280-C349 VanDerWaalsContact CA-O 3.27Å; C280-C349 WeakPolarHBondContact CA-O 2.99Å; R281-C349 PolarHBondContact N-O 3.42Å; R281-C349 PolarHBondContact O-N 2.84Å; V283-C349 HydrophobicContact CG2-CB 4.09Å; V283-C349 VanDerWaalsContact CG2-SG 3.54Å; C300-C349 WeakPolarHBondContact CA-SG 3.44Å; C300-C349 HydrophobicContact CB-CB 3.6Å; C300-C349 WeakPolarHBondContact CB-SG 3.03Å; C300-C349 WeakPolarHBondContact SG-CA 3.49Å; C300-C349 WeakPolarHBondContact SG-CB 3.37Å; C300-C349 CovalentContact SG-SG 2.03Å; C300-C349 PolarHBondContact SG-SG 3.4Å; E304-C349 HydrophobicContact CB-CB 4.16Å; E304-C349 HydrophobicContact CG-CB 4.36Å; E304-C349 WeakPolarHBondContact OE2-CB 3.32Å |
| 350 | C | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 156.3 | -170.4 | -55 | 0 | 0 | 0 | 0 | 112.6 | L278 L279 C280 E304 E305 M307 L355 | L278-C350 HydrophobicContact CD1-CB 4.04Å; L279-C350 CarbonylContact O-C 3.34Å; L279-C350 WeakPolarHBondContact O-CA 3.03Å; L279-C350 WeakPolarHBondContact O-CB 3.27Å; C280-C350 HydrophobicContact CB-CB 4.06Å; C280-C350 WeakPolarHBondContact CB-SG 3.02Å; C280-C350 WeakPolarHBondContact SG-CB 3.42Å; C280-C350 CovalentContact SG-SG 2.03Å; C280-C350 PolarHBondContact SG-SG 2.93Å; E304-C350 WeakPolarHBondContact CA-O 3.49Å; E305-C350 PolarHBondContact N-O 3.38Å; E305-C350 PolarHBondContact O-N 3.02Å; M307-C350 HydrophobicContact CG-CB 3.83Å; M307-C350 HydrophobicContact SD-CB 3.39Å; M307-C350 WeakPolarHBondContact SD-CB 3.41Å; M307-C350 PolarHBondContact SD-SG 2.94Å; C350-L355 HydrophobicContact CB-CD2 4.28Å |
| 351 | V | 93.6 | Very high | 93.3 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134 | 176.8 | 68.8 | 0 | 0 | 0 | 0 | 111 | Q232 Q235 L279 | Q232-V351 HydrophobicContact CG-CG1 4.44Å; Q232-V351 HydrophobicContact CG-CG2 3.85Å; Q235-V351 HydrophobicContact CB-CG1 3.83Å; Q235-V351 HydrophobicContact CG-CG1 3.66Å; L279-V351 HydrophobicContact CB-CG1 4.1Å; L279-V351 PolarHBondContact N-O 2.94Å; L279-V351 PolarHBondContact O-N 2.03Å |
| 352 | V | 91.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | trans | -161.1 | 157.8 | 164.2 | 65.3 | 0 | 0 | 0 | 0 | 108.5 | E277 L278 G354 L355 A419 V488 | E277-V352 WeakPolarHBondContact O-CG2 3.42Å; L278-V352 HydrophobicContact CD1-CB 4.11Å; L278-V352 HydrophobicContact CD1-CG1 3.71Å; V352-G354 PolarHBondContact O-N 2.63Å; V352-L355 HydrophobicContact CG1-CB 3.75Å; V352-L355 HydrophobicContact CG1-CD1 4.28Å; V352-L355 HydrophobicContact CG1-CD2 4.16Å; V352-L355 HydrophobicContact CG1-CG 4.28Å; V352-L355 WeakPolarHBondContact O-CB 3.06Å; V352-L355 PolarHBondContact O-N 3.37Å; V352-A419 HydrophobicContact CG1-CB 4.27Å; V352-V488 HydrophobicContact CB-CG2 4.49Å; V352-V488 HydrophobicContact CG1-CG2 3.99Å; V352-V488 HydrophobicContact CG2-CB 4.31Å; V352-V488 HydrophobicContact CG2-CG1 4.43Å; V352-V488 HydrophobicContact CG2-CG2 3.97Å | ||
| 353 | G | 86.2 | Confident | 93.4 | Very high | 56 Ų | 56 | 35.3 Ų | 35.3 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 121.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L355 | G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 2.84Å |
| 354 | G | 87.3 | Confident | 93.2 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 13 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V352 Q356 | V352-G354 PolarHBondContact O-N 2.63Å; G354-Q356 PolarHBondContact O-N 3.47Å |
| 355 | L | 93.2 | Very high | 92.8 | Very high | 14 Ų | 14 | 40 Ų | 40 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | trans | -65.1 | 130.6 | 173.9 | -170.3 | 62.8 | 0 | 0 | 0 | 111 | L278 E305 M307 C350 V352 G353 C417 H418 A419 L422 | L278-L355 HydrophobicContact CD1-CD2 4.17Å; E305-L355 HydrophobicContact CB-CD2 3.74Å; E305-L355 HydrophobicContact CB-CG 3.99Å; E305-L355 HydrophobicContact CG-CB 4.28Å; E305-L355 HydrophobicContact CG-CD2 4.15Å; E305-L355 HydrophobicContact CG-CG 3.96Å; M307-L355 HydrophobicContact CE-CD1 4.3Å; M307-L355 HydrophobicContact CG-CD2 4.31Å; M307-L355 HydrophobicContact SD-CD1 4.49Å; M307-L355 HydrophobicContact SD-CD2 3.84Å; C350-L355 HydrophobicContact CB-CD2 4.28Å; V352-L355 HydrophobicContact CG1-CB 3.75Å; V352-L355 HydrophobicContact CG1-CD1 4.28Å; V352-L355 HydrophobicContact CG1-CD2 4.16Å; V352-L355 HydrophobicContact CG1-CG 4.28Å; V352-L355 WeakPolarHBondContact O-CB 3.06Å; V352-L355 PolarHBondContact O-N 3.37Å; G353-L355 VanDerWaalsContact C-N 3.33Å; G353-L355 PolarHBondContact O-N 2.84Å; L355-C417 HydrophobicContact CD1-CB 4.04Å; L355-H418 WeakPolarHBondContact CA-O 3.32Å; L355-A419 HydrophobicContact CB-CB 4.43Å; L355-A419 HydrophobicContact CD1-CB 3.94Å; L355-L422 HydrophobicContact CD1-CD2 4.35Å | ||
| 356 | Q | 94.1 | Very high | 92.2 | Very high | 114 Ų | 114 | 40.9 Ų | 40.9 | 53% | 0.533 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 125.2 | 173.6 | -64.1 | -179.4 | 4.4 | 0 | 0 | 108.7 | G354 C417 H418 | G354-Q356 PolarHBondContact O-N 3.47Å; Q356-C417 CarbonylContact O-C 3.5Å; Q356-C417 VanDerWaalsContact O-CA 3.24Å; Q356-C417 WeakPolarHBondContact O-CA 3.43Å; Q356-H418 PolarHBondContact N-O 2.64Å; Q356-H418 PolarHBondContact O-N 3.4Å |
| 357 | C | 94.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.4 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | E305 M330 V415 C416 C417 | E305-C357 HydrophobicContact CB-CB 4.15Å; E305-C357 WeakPolarHBondContact OE2-CB 3.32Å; E305-C357 PolarHBondContact OE2-N 2.87Å; M330-C357 HydrophobicContact CE-CB 3.66Å; C357-V415 HydrophobicContact CB-CG1 4.43Å; C357-C416 WeakPolarHBondContact CA-O 3.29Å; C357-C417 HydrophobicContact CB-CB 4.11Å; C357-C417 WeakPolarHBondContact CB-SG 3.49Å; C357-C417 WeakPolarHBondContact SG-CB 3.11Å; C357-C417 CovalentContact SG-SG 2.03Å; C357-C417 PolarHBondContact SG-SG 3.06Å |
| 358 | R | 93.9 | Very high | 91.6 | Very high | 166 Ų | 166 | 51.6 Ų | 51.6 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 144.6 | 173.2 | -64.1 | -175.2 | -177.5 | 176.8 | 1.7 | 110.4 | C416 | R358-C416 PolarHBondContact N-O 3.44Å; R358-C416 PolarHBondContact O-N 3.34Å |
| 359 | A | 93.3 | Very high | 91.4 | Very high | 38 Ų | 38 | 51.4 Ų | 51.4 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L323 M330 A414 | L323-A359 HydrophobicContact CB-CB 4.06Å; L323-A359 HydrophobicContact CD1-CB 3.76Å; M330-A359 HydrophobicContact SD-CB 3.97Å; A359-A414 CarbonylContact C-O 3.14Å; A359-A414 WeakPolarHBondContact CA-O 3.44Å |
| 360 | H | 93.6 | Very high | 91.1 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.9 | 172.1 | -65.6 | -89.7 | 0 | 0 | 0 | 109.1 | A369 H413 A414 C416 | H360-A369 WeakPolarHBondContact O-CB 3.43Å; H360-H413 CarbonylContact O-C 3.59Å; H360-H413 VanDerWaalsContact O-CA 3.32Å; H360-H413 WeakPolarHBondContact O-CA 3.2Å; H360-A414 PolarHBondContact N-O 3.12Å; H360-A414 PolarHBondContact O-N 3.07Å; H360-C416 PolarHBondContact CD2-SG 2.86Å |
| 361 | A | 92.9 | Very high | 90.8 | Very high | 63 Ų | 63 | 58 Ų | 58 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 150.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | H413 | A361-H413 WeakPolarHBondContact CB-NE2 3.23Å |
| 362 | S | 91.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 10% | 0.098 | 36% | 0.357 | C | S | . | . | trans | -65 | 151.5 | 168.8 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | G364 R367 S412 | S362-G364 PolarHBondContact O-N 2.94Å; S362-G364 PolarHBondContact OG-O 2.98Å; S362-R367 WeakPolarHBondContact CB-O 3.39Å; S362-R367 PolarHBondContact OG-O 2.04Å; S362-S412 PolarHBondContact N-O 3.48Å; S362-S412 PolarHBondContact OG-N 2.84Å | ||
| 363 | P | 91.6 | Very high | 89.5 | Confident | 119 Ų | 119 | 61.5 Ų | 61.5 | 77% | 0.773 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -61.9 | -15.8 | 177.1 | -24.2 | 33.9 | 0 | 0 | 0 | 114.7 | ||
| 364 | G | 88.1 | Confident | 89.1 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 21% | 0.206 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 172.6 | 177.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S362 R367 | S362-G364 PolarHBondContact O-N 2.94Å; S362-G364 PolarHBondContact OG-O 2.98Å; G364-R367 WeakPolarHBondContact O-CB 3.5Å; G364-R367 PolarHBondContact O-N 2.92Å |
| 365 | P | 86.9 | Confident | 88.9 | Confident | 85 Ų | 85 | 67.8 Ų | 67.8 | 55% | 0.552 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 138.9 | 174.9 | -20.8 | 32.3 | 0 | 0 | 0 | 111.9 | R367 V410 T411 | P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.63Å; P365-V410 CarbonylContact C-O 3.56Å; P365-V410 WeakPolarHBondContact CA-O 3.45Å; P365-T411 HydrophobicContact CB-CG2 4.26Å; P365-T411 HydrophobicContact CG-CG2 3.89Å |
| 366 | G | 84.2 | Confident | 88.7 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 18% | 0.175 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 9.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K407 V410 | G366-K407 WeakPolarHBondContact CA-O 3.41Å; G366-V410 PolarHBondContact N-O 3.34Å |
| 367 | R | 88.6 | Confident | 88.6 | Confident | 167 Ų | 167 | 66.6 Ų | 66.6 | 63% | 0.63 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -115.9 | 142.7 | 177.4 | -55.6 | -71 | -105 | -175 | -5 | 109.5 | S362 G364 P365 V406 | S362-R367 WeakPolarHBondContact CB-O 3.39Å; S362-R367 PolarHBondContact OG-O 2.04Å; G364-R367 WeakPolarHBondContact O-CB 3.5Å; G364-R367 PolarHBondContact O-N 2.92Å; P365-R367 VanDerWaalsContact C-N 3.27Å; P365-R367 PolarHBondContact O-N 2.63Å; R367-V406 VanDerWaalsContact O-CG2 3.31Å; R367-V406 WeakPolarHBondContact O-CG2 3.44Å |
| 368 | D | 90.1 | Very high | 88.5 | Confident | 59 Ų | 59 | 67 Ų | 67 | 32% | 0.316 | 38% | 0.38 | S | S | . | . | trans | -73.2 | 136.6 | -179.2 | -69.1 | 14.2 | 0 | 0 | 0 | 111.3 | C404 S405 | D368-C404 WeakPolarHBondContact CA-O 3.44Å; D368-S405 WeakPolarHBondContact OD1-CA 3.41Å; D368-S405 WeakPolarHBondContact OD2-CB 3.22Å; D368-S405 PolarHBondContact OD2-OG 3.08Å | ||
| 369 | A | 90.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 147.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | H360 S403 C404 S412 A414 | H360-A369 WeakPolarHBondContact O-CB 3.43Å; A369-S403 CarbonylContact O-C 3.57Å; A369-S403 WeakPolarHBondContact O-CA 3.08Å; A369-S403 VanDerWaalsContact O-CB 3.28Å; A369-S403 WeakPolarHBondContact O-CB 3.4Å; A369-C404 HydrophobicContact CB-CB 4.37Å; A369-C404 PolarHBondContact N-O 3.38Å; A369-C404 PolarHBondContact O-N 2.9Å; A369-S412 WeakPolarHBondContact CB-OG 3.19Å; A369-S412 PolarHBondContact N-OG 2.66Å; A369-A414 HydrophobicContact CB-CB 3.83Å |
| 370 | Q | 91.3 | Very high | 88.4 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 151.9 | -175.6 | 60.2 | 177.4 | 52.8 | 0 | 0 | 113.5 | R402 | Q370-R402 WeakPolarHBondContact CA-O 3.24Å |
| 371 | C | 89.4 | Confident | 88.3 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | trans | -77.4 | 131.8 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 112.6 | H376 R402 C416 | C371-H376 HydrophobicContact CB-CB 4.31Å; C371-R402 HydrophobicContact CB-CB 4.06Å; C371-R402 PolarHBondContact N-O 3.06Å; C371-C416 WeakPolarHBondContact CA-SG 3.35Å; C371-C416 HydrophobicContact CB-CB 3.71Å; C371-C416 WeakPolarHBondContact CB-SG 3.39Å; C371-C416 VanDerWaalsContact SG-CA 3.53Å; C371-C416 WeakPolarHBondContact SG-CB 3.05Å; C371-C416 CovalentContact SG-SG 2.03Å; C371-C416 PolarHBondContact SG-SG 2.93Å | ||
| 372 | A | 80.3 | Confident | 88.1 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | trans | -82 | 124.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H376 | A372-H376 PolarHBondContact O-ND1 2.84Š| ||
| 373 | G | 76.8 | Confident | 87.9 | Confident | 46 Ų | 46 | 51.4 Ų | 51.4 | 47% | 0.474 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 81.7 | 157.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q375 R402 | G373-Q375 PolarHBondContact O-N 2.86Å; G373-R402 PolarHBondContact O-NH1 3.11Å |
| 374 | P | 78.1 | Confident | 87.8 | Confident | 106 Ų | 106 | 49 Ų | 49 | 69% | 0.688 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.2 | -172.1 | 29.6 | -35.7 | 0 | 0 | 0 | 114.2 | R402 | P374-R402 VanDerWaalsContact O-CZ 3.25Å; P374-R402 PolarHBondContact O-NH1 3.46Å; P374-R402 PolarHBondContact O-NH2 3.15Å |
| 375 | Q | 83.1 | Confident | 87.5 | Confident | 129 Ų | 129 | 48.5 Ų | 48.5 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -12.5 | -176.9 | -65.8 | -176.5 | -13.8 | 0 | 0 | 114.4 | G373 H418 | G373-Q375 PolarHBondContact O-N 2.86Å; Q375-H418 PolarHBondContact O-ND1 3.42Å |
| 376 | H | 89.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 117.1 | 179.3 | -64.7 | 92.2 | 0 | 0 | 0 | 111.5 | C371 A372 R402 C416 C417 | C371-H376 HydrophobicContact CB-CB 4.31Å; A372-H376 PolarHBondContact O-ND1 2.84Å; H376-R402 VanDerWaalsContact C-NH1 3.32Å; H376-R402 VanDerWaalsContact O-CD 3.24Å; H376-R402 WeakPolarHBondContact O-CD 3.26Å; H376-R402 PolarHBondContact O-NH1 3.44Å; H376-C416 HydrophobicContact CB-CB 4.16Å; H376-C417 CarbonylContact C-O 3.53Å; H376-C417 WeakPolarHBondContact CA-O 3.49Å |
| 377 | H | 91.6 | Very high | 86.3 | Confident | 48 Ų | 48 | 52.3 Ų | 52.3 | 22% | 0.222 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 139.6 | 179 | -64.1 | -90.6 | 0 | 0 | 0 | 110.1 | T379 C416 C417 L422 C424 | H377-T379 PolarHBondContact O-N 2.89Å; H377-C416 WeakPolarHBondContact O-CA 3.28Å; H377-C417 PolarHBondContact N-O 2.65Å; H377-C417 PolarHBondContact O-N 3.24Å; H377-L422 HydrophobicContact CB-CD2 4.28Å; H377-L422 PolarHBondContact CE1-O 3.33Å; H377-L422 PolarHBondContact NE2-O 2.82Å; H377-C424 HydrophobicContact CB-CB 4.23Å |
| 378 | L | 92.1 | Very high | 85.1 | Confident | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.9 | 169.2 | -178.4 | 71.1 | 0 | 0 | 0 | 108.2 | G380 P395 R402 A414 | L378-G380 WeakPolarHBondContact CD1-O 3.07Å; L378-P395 HydrophobicContact CD2-CB 4.32Å; L378-R402 HydrophobicContact CB-CB 4.07Å; L378-A414 HydrophobicContact CD1-CB 3.68Å |
| 379 | T | 93.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | -21.9 | -176.7 | 60.5 | 0 | 0 | 0 | 0 | 112.8 | M307 H377 V415 C417 T448 D449 V484 | M307-T379 HydrophobicContact CE-CG2 3.36Å; M307-T379 CarbonylContact O-C 3.55Å; M307-T379 WeakPolarHBondContact O-CB 3.3Å; M307-T379 PolarHBondContact O-OG1 2.91Å; H377-T379 PolarHBondContact O-N 2.89Å; T379-V415 PolarHBondContact N-O 2.85Å; T379-V415 WeakPolarHBondContact OG1-CG1 3.37Å; T379-V415 PolarHBondContact OG1-O 2.97Å; T379-C417 HydrophobicContact CG2-CB 3.64Å; T379-C417 PolarHBondContact OG1-SG 3.13Å; T379-T448 CarbonylContact O-C 3.49Å; T379-T448 WeakPolarHBondContact O-CB 3.35Å; T379-T448 PolarHBondContact O-OG1 2.75Å; T379-D449 WeakPolarHBondContact O-CB 3.24Å; T379-V484 WeakPolarHBondContact O-CB 3.48Å |
| 380 | G | 92.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 163.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | M307 L378 V415 D449 | M307-G380 PolarHBondContact O-N 2.93Å; L378-G380 WeakPolarHBondContact CD1-O 3.07Å; G380-V415 PolarHBondContact O-N 3.49Å; G380-D449 VanDerWaalsContact CA-CG 3.43Å; G380-D449 VanDerWaalsContact CA-OD2 3.23Å; G380-D449 WeakPolarHBondContact CA-OD2 3.32Å |
| 381 | C | 91.1 | Very high | 80 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.02 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143 | -179.8 | -70.6 | 0 | 0 | 0 | 0 | 111 | P395 C404 H413 D449 | C381-P395 HydrophobicContact CB-CG 4.27Å; C381-C404 WeakPolarHBondContact CA-SG 3.46Å; C381-C404 HydrophobicContact CB-CB 3.69Å; C381-C404 WeakPolarHBondContact CB-SG 3.32Å; C381-C404 VanDerWaalsContact SG-CA 3.52Å; C381-C404 WeakPolarHBondContact SG-CB 3.47Å; C381-C404 CovalentContact SG-SG 2.03Å; C381-C404 PolarHBondContact SG-SG 3.43Å; C381-H413 WeakPolarHBondContact CA-O 3.41Å; C381-D449 PolarHBondContact N-OD2 3.12Å |
| 382 | T | 90.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 156.5 | 169.6 | 68 | 0 | 0 | 0 | 0 | 111.3 | C309 E321 L323 S412 H413 | C309-T382 HydrophobicContact CB-CG2 3.76Å; E321-T382 HydrophobicContact CG-CG2 4.1Å; E321-T382 WeakPolarHBondContact O-CB 3.45Å; L323-T382 HydrophobicContact CD1-CG2 4.09Å; L323-T382 HydrophobicContact CG-CG2 3.94Å; T382-S412 WeakPolarHBondContact O-CA 3.49Å; T382-S412 VanDerWaalsContact O-CB 3.24Å; T382-S412 WeakPolarHBondContact O-CB 3.24Å; T382-H413 PolarHBondContact N-O 3.47Å; T382-H413 PolarHBondContact O-N 3.4Å; T382-H413 WeakPolarHBondContact OG1-CB 3.41Å; T382-H413 PolarHBondContact OG1-N 3.1Å |
| 383 | S | 87.7 | Confident | 77.3 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.5 | 171.2 | 32.7 | 0 | 0 | 0 | 0 | 112.2 | G320 E321 S393 T411 | G320-S383 CarbonylContact C-O 3.53Å; G320-S383 VanDerWaalsContact CA-O 3.25Å; G320-S383 WeakPolarHBondContact CA-O 3.33Å; E321-S383 PolarHBondContact N-O 3.06Å; E321-S383 CarbonylContact O-C 3.51Å; E321-S383 PolarHBondContact O-N 3.19Å; E321-S383 PolarHBondContact OE1-N 3.32Å; E321-S383 VanDerWaalsContact OE1-N 3.11Å; S383-S393 VanDerWaalsContact CB-OG 3.25Å; S383-S393 WeakPolarHBondContact CB-OG 3.32Å; S383-S393 WeakPolarHBondContact OG-CB 3.27Å; S383-S393 PolarHBondContact OG-OG 3.32Å; S383-T411 WeakPolarHBondContact CA-O 3.42Å |
| 384 | W | 87.6 | Confident | 76.6 | Confident | 68 Ų | 68 | 44.7 Ų | 44.7 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.9 | 173.3 | 176 | 80.2 | 0 | 0 | 0 | 112.1 | Y335 V386 T411 | Y335-W384 AromaticContact CD1-NE1 3.77Å; Y335-W384 AromaticContact CD2-CD1 3.24Å; Y335-W384 HydrophobicContact CD2-CG 4.24Å; Y335-W384 AromaticContact CD2-NE1 3.41Å; Y335-W384 AromaticContact CE2-CD1 3.63Å; Y335-W384 HydrophobicContact CE2-CG 4.28Å; Y335-W384 AromaticContact CE2-NE1 3.72Å; Y335-W384 AromaticContact CG-CD1 3.71Å; Y335-W384 AromaticContact CG-NE1 3.44Å; W384-V386 HydrophobicContact CH2-CG1 3.68Å; W384-V386 HydrophobicContact CZ2-CG1 4.14Å; W384-V386 HydrophobicContact CZ3-CG1 4.41Å; W384-T411 PolarHBondContact N-O 2.77Å; W384-T411 PolarHBondContact O-N 3.27Å; W384-T411 PolarHBondContact O-OG1 3.44Å |
| 385 | S | 82 | Confident | 75.6 | Confident | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | trans | -149.9 | 167.4 | 174.4 | 100.2 | 0 | 0 | 0 | 0 | 111.4 | V319 A387 I389 | V319-S385 WeakPolarHBondContact CB-O 3.23Å; V319-S385 PolarHBondContact O-N 2.93Å; S385-A387 VanDerWaalsContact C-N 3.34Å; S385-A387 PolarHBondContact OG-N 2.6Å; S385-A387 VanDerWaalsContact OG-N 3.16Å; S385-A387 PolarHBondContact OG-O 2.87Å; S385-I389 WeakPolarHBondContact OG-CD1 3.39Å; S385-I389 WeakPolarHBondContact OG-CG1 3.36Å | ||
| 386 | V | 75.5 | Confident | 74.5 | Confident | 128 Ų | 128 | 37.8 Ų | 37.8 | 78% | 0.776 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -80.3 | -12.7 | 178.1 | -67.1 | 0 | 0 | 0 | 0 | 113.9 | W384 | W384-V386 HydrophobicContact CH2-CG1 3.68Å; W384-V386 HydrophobicContact CZ2-CG1 4.14Å; W384-V386 HydrophobicContact CZ3-CG1 4.41Å |
| 387 | A | 70.3 | Confident | 72.6 | Confident | 55 Ų | 55 | 44 Ų | 44 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -113.9 | 162.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | S385 I389 | S385-A387 VanDerWaalsContact C-N 3.34Å; S385-A387 PolarHBondContact OG-N 2.6Å; S385-A387 VanDerWaalsContact OG-N 3.16Å; S385-A387 PolarHBondContact OG-O 2.87Å; A387-I389 WeakPolarHBondContact O-CG1 3.33Å; A387-I389 PolarHBondContact O-N 2.84Å |
| 388 | E | 63.7 | Low | 70.3 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 43% | 0.425 | 23% | 0.229 | S | C | . | . | trans | -61.1 | 127.6 | 173.9 | -68.8 | -170.6 | 167.1 | 0 | 0 | 110.4 | V319 L338 | V319-E388 HydrophobicContact CG1-CG 4.17Å; L338-E388 PolarHBondContact N-OE1 3.27Å | ||
| 389 | I | 59.9 | Low | 68.4 | Low | 30 Ų | 30 | 47.2 Ų | 47.2 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -104.6 | 131.7 | -175.5 | -55.5 | 174.2 | 0 | 0 | 0 | 108.6 | V319 S385 A387 D392 V410 | V319-I389 VanDerWaalsContact O-CD1 3.25Å; V319-I389 WeakPolarHBondContact O-CD1 3.3Å; S385-I389 WeakPolarHBondContact OG-CD1 3.39Å; S385-I389 WeakPolarHBondContact OG-CG1 3.36Å; A387-I389 WeakPolarHBondContact O-CG1 3.33Å; A387-I389 PolarHBondContact O-N 2.84Å; I389-D392 HydrophobicContact CG2-CB 4.27Å; I389-V410 HydrophobicContact CD1-CG1 4.23Å; I389-V410 HydrophobicContact CD1-CG2 4.23Å | ||
| 390 | S | 53.3 | Low | 66.2 | Low | 40 Ų | 40 | 51.9 Ų | 51.9 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | trans | -72.5 | 118.9 | 152 | 59.7 | 0 | 0 | 0 | 0 | 107.2 | D392 | S390-D392 VanDerWaalsContact O-CB 3.3Å; S390-D392 WeakPolarHBondContact O-CB 3.44Å; S390-D392 PolarHBondContact O-N 3.32Å; S390-D392 PolarHBondContact OG-OD2 3.09Å | ||
| 391 | S | 52.8 | Low | 64.4 | Low | 11 Ų | 11 | 53 Ų | 53 | 8% | 0.077 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -40.5 | 110.9 | -171.5 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | A452 | S391-A452 WeakPolarHBondContact CB-O 3.43Å; S391-A452 PolarHBondContact OG-O 2.73Å |
| 392 | D | 57.2 | Low | 63.7 | Low | 25 Ų | 25 | 56.3 Ų | 56.3 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | trans | -132.8 | -0.9 | -165.1 | -81.8 | -37.7 | 0 | 0 | 0 | 115.3 | I389 S390 R394 K407 | I389-D392 HydrophobicContact CG2-CB 4.27Å; S390-D392 VanDerWaalsContact O-CB 3.3Å; S390-D392 WeakPolarHBondContact O-CB 3.44Å; S390-D392 PolarHBondContact O-N 3.32Å; S390-D392 PolarHBondContact OG-OD2 3.09Å; D392-R394 PolarHBondContact O-N 3.34Å; D392-K407 HydrophobicContact CB-CD 4.14Å; D392-K407 HydrophobicContact CB-CG 4.28Å; D392-K407 WeakPolarHBondContact OD1-CE 3.48Å; D392-K407 IonicContact OD1-NZ 2.78Å; D392-K407 PolarHBondContact OD1-NZ 3.25Å; D392-K407 VanDerWaalsContact OD2-CD 3.31Å; D392-K407 WeakPolarHBondContact OD2-CD 2.98Å; D392-K407 VanDerWaalsContact OD2-CE 3.24Å; D392-K407 WeakPolarHBondContact OD2-CE 3.49Å; D392-K407 IonicContact OD2-NZ 2.81Å; D392-K407 PolarHBondContact OD2-NZ 3.28Å | ||
| 393 | S | 55.4 | Low | 63.6 | Low | 6 Ų | 6 | 57 Ų | 57 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | trans | -74.7 | 124.8 | 164.8 | 55.8 | 0 | 0 | 0 | 0 | 109.9 | S383 S405 | S383-S393 VanDerWaalsContact CB-OG 3.25Å; S383-S393 WeakPolarHBondContact CB-OG 3.32Å; S383-S393 WeakPolarHBondContact OG-CB 3.27Å; S383-S393 PolarHBondContact OG-OG 3.32Å; S393-S405 CarbonylContact C-O 3.49Å; S393-S405 VanDerWaalsContact CA-O 3.32Å; S393-S405 WeakPolarHBondContact CA-O 3.43Å | ||
| 394 | R | 62.1 | Low | 63.5 | Low | 105 Ų | 105 | 56.7 Ų | 56.7 | 40% | 0.396 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.4 | 175.6 | -172.4 | 176.2 | -179.6 | -173.5 | 3.3 | 108.7 | D392 H396 S405 E428 V453 | D392-R394 PolarHBondContact O-N 3.34Å; R394-H396 PolarHBondContact O-N 2.9Å; R394-H396 VanDerWaalsContact O-N 3.07Å; R394-S405 PolarHBondContact N-O 2.63Å; R394-S405 PolarHBondContact O-N 3.38Å; R394-E428 IonicContact CZ-OE1 3.81Å; R394-E428 IonicContact CZ-OE2 2.94Å; R394-E428 IonicContact NE-OE1 2.92Å; R394-E428 PolarHBondContact NE-OE1 2.75Å; R394-E428 IonicContact NH2-OE1 2.77Å; R394-E428 PolarHBondContact NH2-OE1 2.84Å; R394-E428 IonicContact NH2-OE2 3.09Å; R394-E428 PolarHBondContact NH2-OE2 3.11Å; R394-V453 HydrophobicContact CB-CG2 4.47Å; R394-V453 HydrophobicContact CG-CG2 4.41Å |
| 395 | P | 56.5 | Low | 63.4 | Low | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 116.6 | 163.8 | -13.9 | 25.6 | 0 | 0 | 0 | 107.9 | L378 C381 L426 V482 | L378-P395 HydrophobicContact CD2-CB 4.32Å; C381-P395 HydrophobicContact CB-CG 4.27Å; P395-L426 HydrophobicContact CB-CD1 3.72Å; P395-L426 HydrophobicContact CB-CD2 4.39Å; P395-L426 HydrophobicContact CG-CD1 3.99Å; P395-L426 WeakPolarHBondContact O-CD2 3.38Å; P395-V482 HydrophobicContact CG-CG1 4.03Å |
| 396 | H | 60.2 | Low | 63.3 | Low | 87 Ų | 87 | 55.3 Ų | 55.3 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.4 | -176.3 | -167.6 | 62.5 | 0 | 0 | 0 | 111.9 | R394 G398 S403 S405 | R394-H396 PolarHBondContact O-N 2.9Å; R394-H396 VanDerWaalsContact O-N 3.07Å; H396-G398 PolarHBondContact CD2-N 3.19Å; H396-S403 PolarHBondContact N-O 3.45Å; H396-S405 VanDerWaalsContact CB-OG 3.25Å; H396-S405 WeakPolarHBondContact CB-OG 2.77Å |
| 397 | R | 50.7 | Low | 63.5 | Low | 185 Ų | 185 | 54.5 Ų | 54.5 | 70% | 0.698 | 32% | 0.321 | S | S | * | . | trans | -120.3 | 88.5 | 172.8 | -117.2 | -170.8 | -177.4 | -163 | 4.1 | 109.7 | G401 | R397-G401 VanDerWaalsContact CG-O 3.28Å; R397-G401 WeakPolarHBondContact CG-O 3.48Å | ||
| 398 | G | 41.8 | Very low | 64 | Low | 43 Ų | 43 | 59.1 Ų | 59.1 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -90.6 | 108.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110 | H396 A400 G401 | H396-G398 PolarHBondContact CD2-N 3.19Å; G398-A400 PolarHBondContact O-N 3.08Å; G398-G401 PolarHBondContact O-N 3.13Å |
| 399 | G | 53.9 | Low | 64.9 | Low | 97 Ų | 97 | 57 Ų | 57 | 100% | 1 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | -59.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 400 | A | 46.8 | Very low | 66 | Low | 97 Ų | 97 | 56 Ų | 56 | 80% | 0.802 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.7 | 1.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G398 | G398-A400 PolarHBondContact O-N 3.08Š|
| 401 | G | 53.8 | Low | 67.8 | Low | 23 Ų | 23 | 55.4 Ų | 55.4 | 24% | 0.237 | 33% | 0.331 | C | S | . | . | trans | -76.2 | 133.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R397 G398 | R397-G401 VanDerWaalsContact CG-O 3.28Å; R397-G401 WeakPolarHBondContact CG-O 3.48Å; G398-G401 PolarHBondContact O-N 3.13Å | ||
| 402 | R | 77.1 | Confident | 69.6 | Low | 73 Ų | 73 | 54.9 Ų | 54.9 | 28% | 0.275 | 33% | 0.327 | S | S | . | . | trans | -115.4 | 66.8 | 169.6 | -63.6 | 175.1 | -154.8 | -172.1 | 0.8 | 107.2 | Q370 C371 G373 P374 H376 L378 | Q370-R402 WeakPolarHBondContact CA-O 3.24Å; C371-R402 HydrophobicContact CB-CB 4.06Å; C371-R402 PolarHBondContact N-O 3.06Å; G373-R402 PolarHBondContact O-NH1 3.11Å; P374-R402 VanDerWaalsContact O-CZ 3.25Å; P374-R402 PolarHBondContact O-NH1 3.46Å; P374-R402 PolarHBondContact O-NH2 3.15Å; H376-R402 VanDerWaalsContact C-NH1 3.32Å; H376-R402 VanDerWaalsContact O-CD 3.24Å; H376-R402 WeakPolarHBondContact O-CD 3.26Å; H376-R402 PolarHBondContact O-NH1 3.44Å; L378-R402 HydrophobicContact CB-CB 4.07Å | ||
| 403 | S | 86.4 | Confident | 71.3 | Confident | 14 Ų | 14 | 55 Ų | 55 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.7 | -172 | 60.8 | 0 | 0 | 0 | 0 | 113.5 | A369 H396 | A369-S403 CarbonylContact O-C 3.57Å; A369-S403 WeakPolarHBondContact O-CA 3.08Å; A369-S403 VanDerWaalsContact O-CB 3.28Å; A369-S403 WeakPolarHBondContact O-CB 3.4Å; H396-S403 PolarHBondContact N-O 3.45Å |
| 404 | C | 87.4 | Confident | 73.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 101.9 | 170.4 | -57.5 | 0 | 0 | 0 | 0 | 107.8 | D368 A369 C381 S412 H413 A414 | D368-C404 WeakPolarHBondContact CA-O 3.44Å; A369-C404 HydrophobicContact CB-CB 4.37Å; A369-C404 PolarHBondContact N-O 3.38Å; A369-C404 PolarHBondContact O-N 2.9Å; C381-C404 WeakPolarHBondContact CA-SG 3.46Å; C381-C404 HydrophobicContact CB-CB 3.69Å; C381-C404 WeakPolarHBondContact CB-SG 3.32Å; C381-C404 VanDerWaalsContact SG-CA 3.52Å; C381-C404 WeakPolarHBondContact SG-CB 3.47Å; C381-C404 CovalentContact SG-SG 2.03Å; C381-C404 PolarHBondContact SG-SG 3.43Å; C404-S412 PolarHBondContact O-OG 3.49Å; C404-H413 PolarHBondContact SG-O 3.17Å; C404-A414 VanDerWaalsContact SG-CA 3.58Å |
| 405 | S | 83.9 | Confident | 74.7 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 20% | 0.196 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.1 | -178.4 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | D368 S393 R394 H396 | D368-S405 WeakPolarHBondContact OD1-CA 3.41Å; D368-S405 WeakPolarHBondContact OD2-CB 3.22Å; D368-S405 PolarHBondContact OD2-OG 3.08Å; S393-S405 CarbonylContact C-O 3.49Å; S393-S405 VanDerWaalsContact CA-O 3.32Å; S393-S405 WeakPolarHBondContact CA-O 3.43Å; R394-S405 PolarHBondContact N-O 2.63Å; R394-S405 PolarHBondContact O-N 3.38Å; H396-S405 VanDerWaalsContact CB-OG 3.25Å; H396-S405 WeakPolarHBondContact CB-OG 2.77Å |
| 406 | V | 81.1 | Confident | 76.5 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 12% | 0.121 | 31% | 0.305 | C | S | . | . | trans | -136.4 | 157.8 | -177 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | R367 V410 | R367-V406 VanDerWaalsContact O-CG2 3.31Å; R367-V406 WeakPolarHBondContact O-CG2 3.44Å; V406-V410 HydrophobicContact CB-CB 4.11Å; V406-V410 HydrophobicContact CB-CG1 4.08Å; V406-V410 HydrophobicContact CG1-CB 4.47Å; V406-V410 HydrophobicContact CG1-CG1 3.89Å | ||
| 407 | K | 79.6 | Confident | 78.1 | Confident | 112 Ų | 112 | 45.5 Ų | 45.5 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | trans | -79.4 | 165.6 | 172.9 | -65.5 | -175.3 | -171.1 | 160.9 | 0 | 111.9 | G366 D392 G409 V410 | G366-K407 WeakPolarHBondContact CA-O 3.41Å; D392-K407 HydrophobicContact CB-CD 4.14Å; D392-K407 HydrophobicContact CB-CG 4.28Å; D392-K407 WeakPolarHBondContact OD1-CE 3.48Å; D392-K407 IonicContact OD1-NZ 2.78Å; D392-K407 PolarHBondContact OD1-NZ 3.25Å; D392-K407 VanDerWaalsContact OD2-CD 3.31Å; D392-K407 WeakPolarHBondContact OD2-CD 2.98Å; D392-K407 VanDerWaalsContact OD2-CE 3.24Å; D392-K407 WeakPolarHBondContact OD2-CE 3.49Å; D392-K407 IonicContact OD2-NZ 2.81Å; D392-K407 PolarHBondContact OD2-NZ 3.28Å; K407-G409 PolarHBondContact O-N 3.4Å; K407-V410 WeakPolarHBondContact O-CB 3.31Å; K407-V410 PolarHBondContact O-N 2.84Å; K407-V410 VanDerWaalsContact O-N 3.14Å | ||
| 408 | D | 80 | Confident | 80.2 | Confident | 151 Ų | 151 | 39.5 Ų | 39.5 | 81% | 0.807 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.3 | 173 | -69.9 | -28.7 | 0 | 0 | 0 | 111.8 | V410 | D408-V410 VanDerWaalsContact C-N 3.26Å; D408-V410 PolarHBondContact O-N 2.89Å |
| 409 | G | 82 | Confident | 82.6 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -8.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K407 | K407-G409 PolarHBondContact O-N 3.4Š|
| 410 | V | 85.1 | Confident | 84.3 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | trans | -101 | 134.6 | 177.1 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | P365 G366 I389 V406 K407 D408 | P365-V410 CarbonylContact C-O 3.56Å; P365-V410 WeakPolarHBondContact CA-O 3.45Å; G366-V410 PolarHBondContact N-O 3.34Å; I389-V410 HydrophobicContact CD1-CG1 4.23Å; I389-V410 HydrophobicContact CD1-CG2 4.23Å; V406-V410 HydrophobicContact CB-CB 4.11Å; V406-V410 HydrophobicContact CB-CG1 4.08Å; V406-V410 HydrophobicContact CG1-CB 4.47Å; V406-V410 HydrophobicContact CG1-CG1 3.89Å; K407-V410 WeakPolarHBondContact O-CB 3.31Å; K407-V410 PolarHBondContact O-N 2.84Å; K407-V410 VanDerWaalsContact O-N 3.14Å; D408-V410 VanDerWaalsContact C-N 3.26Å; D408-V410 PolarHBondContact O-N 2.89Å | ||
| 411 | T | 89.3 | Confident | 86.2 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 151.2 | 169.8 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | P365 S383 W384 | P365-T411 HydrophobicContact CB-CG2 4.26Å; P365-T411 HydrophobicContact CG-CG2 3.89Å; S383-T411 WeakPolarHBondContact CA-O 3.42Å; W384-T411 PolarHBondContact N-O 2.77Å; W384-T411 PolarHBondContact O-N 3.27Å; W384-T411 PolarHBondContact O-OG1 3.44Å |
| 412 | S | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 157.5 | 176.1 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | S362 A369 T382 C404 | S362-S412 PolarHBondContact N-O 3.48Å; S362-S412 PolarHBondContact OG-N 2.84Å; A369-S412 WeakPolarHBondContact CB-OG 3.19Å; A369-S412 PolarHBondContact N-OG 2.66Å; T382-S412 WeakPolarHBondContact O-CA 3.49Å; T382-S412 VanDerWaalsContact O-CB 3.24Å; T382-S412 WeakPolarHBondContact O-CB 3.24Å; C404-S412 PolarHBondContact O-OG 3.49Å |
| 413 | H | 93.3 | Very high | 88.7 | Confident | 28 Ų | 28 | 34.5 Ų | 34.5 | 13% | 0.13 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.6 | 161 | -60.9 | 67.4 | 0 | 0 | 0 | 110.1 | T322 L323 H360 A361 C381 T382 C404 | T322-H413 PolarHBondContact OG1-CE1 3.21Å; T322-H413 PolarHBondContact OG1-ND1 3.08Å; L323-H413 HydrophobicContact CB-CB 4.36Å; L323-H413 HydrophobicContact CD1-CB 3.96Å; L323-H413 HydrophobicContact CG-CB 4.44Å; H360-H413 CarbonylContact O-C 3.59Å; H360-H413 VanDerWaalsContact O-CA 3.32Å; H360-H413 WeakPolarHBondContact O-CA 3.2Å; A361-H413 WeakPolarHBondContact CB-NE2 3.23Å; C381-H413 WeakPolarHBondContact CA-O 3.41Å; T382-H413 PolarHBondContact N-O 3.47Å; T382-H413 PolarHBondContact O-N 3.4Å; T382-H413 WeakPolarHBondContact OG1-CB 3.41Å; T382-H413 PolarHBondContact OG1-N 3.1Å; C404-H413 PolarHBondContact SG-O 3.17Å |
| 414 | A | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A359 H360 A369 L378 C404 | A359-A414 CarbonylContact C-O 3.14Å; A359-A414 WeakPolarHBondContact CA-O 3.44Å; H360-A414 PolarHBondContact N-O 3.12Å; H360-A414 PolarHBondContact O-N 3.07Å; A369-A414 HydrophobicContact CB-CB 3.83Å; L378-A414 HydrophobicContact CD1-CB 3.68Å; C404-A414 VanDerWaalsContact SG-CA 3.58Å |
| 415 | V | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 118.9 | 170.4 | -171.1 | 0 | 0 | 0 | 0 | 108.5 | M306 L323 C357 T379 G380 | M306-V415 VanDerWaalsContact O-CG1 3.27Å; M306-V415 WeakPolarHBondContact O-CG1 3.18Å; L323-V415 HydrophobicContact CD1-CG2 3.41Å; L323-V415 VanDerWaalsContact CD1-CG2 3.41Å; C357-V415 HydrophobicContact CB-CG1 4.43Å; T379-V415 PolarHBondContact N-O 2.85Å; T379-V415 WeakPolarHBondContact OG1-CG1 3.37Å; T379-V415 PolarHBondContact OG1-O 2.97Å; G380-V415 PolarHBondContact O-N 3.49Å |
| 416 | C | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 110.6 | -170.4 | -61.1 | 0 | 0 | 0 | 0 | 109.6 | C357 R358 H360 C371 H376 H377 | C357-C416 WeakPolarHBondContact CA-O 3.29Å; R358-C416 PolarHBondContact N-O 3.44Å; R358-C416 PolarHBondContact O-N 3.34Å; H360-C416 PolarHBondContact CD2-SG 2.86Å; C371-C416 WeakPolarHBondContact CA-SG 3.35Å; C371-C416 HydrophobicContact CB-CB 3.71Å; C371-C416 WeakPolarHBondContact CB-SG 3.39Å; C371-C416 VanDerWaalsContact SG-CA 3.53Å; C371-C416 WeakPolarHBondContact SG-CB 3.05Å; C371-C416 CovalentContact SG-SG 2.03Å; C371-C416 PolarHBondContact SG-SG 2.93Å; H376-C416 HydrophobicContact CB-CB 4.16Å; H377-C416 WeakPolarHBondContact O-CA 3.28Å |
| 417 | C | 94.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.3 | -174.5 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | M307 L355 Q356 C357 H376 H377 T379 L422 | M307-C417 HydrophobicContact CE-CB 4.21Å; L355-C417 HydrophobicContact CD1-CB 4.04Å; Q356-C417 CarbonylContact O-C 3.5Å; Q356-C417 VanDerWaalsContact O-CA 3.24Å; Q356-C417 WeakPolarHBondContact O-CA 3.43Å; C357-C417 HydrophobicContact CB-CB 4.11Å; C357-C417 WeakPolarHBondContact CB-SG 3.49Å; C357-C417 WeakPolarHBondContact SG-CB 3.11Å; C357-C417 CovalentContact SG-SG 2.03Å; C357-C417 PolarHBondContact SG-SG 3.06Å; H376-C417 CarbonylContact C-O 3.53Å; H376-C417 WeakPolarHBondContact CA-O 3.49Å; H377-C417 PolarHBondContact N-O 2.65Å; H377-C417 PolarHBondContact O-N 3.24Å; T379-C417 HydrophobicContact CG2-CB 3.64Å; T379-C417 PolarHBondContact OG1-SG 3.13Å; C417-L422 HydrophobicContact CB-CD2 4.18Å |
| 418 | H | 93.7 | Very high | 89.6 | Confident | 59 Ų | 59 | 39.8 Ų | 39.8 | 27% | 0.273 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 135.1 | 172.2 | 176.8 | 70.3 | 0 | 0 | 0 | 109.7 | L355 Q356 Q375 | L355-H418 WeakPolarHBondContact CA-O 3.32Å; Q356-H418 PolarHBondContact N-O 2.64Å; Q356-H418 PolarHBondContact O-N 3.4Å; Q375-H418 PolarHBondContact O-ND1 3.42Å |
| 419 | A | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | trans | -151.4 | 156.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | V352 L355 S421 L422 | V352-A419 HydrophobicContact CG1-CB 4.27Å; L355-A419 HydrophobicContact CB-CB 4.43Å; L355-A419 HydrophobicContact CD1-CB 3.94Å; A419-S421 PolarHBondContact O-N 2.61Å; A419-L422 HydrophobicContact CB-CB 4.11Å; A419-L422 HydrophobicContact CB-CD2 4.5Å; A419-L422 WeakPolarHBondContact O-CB 3.25Å; A419-L422 PolarHBondContact O-N 3Å | ||
| 420 | P | 89.6 | Confident | 89.2 | Confident | 82 Ų | 82 | 38.8 Ų | 38.8 | 53% | 0.532 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 128.1 | 171.8 | -25.5 | 35 | 0 | 0 | 0 | 111 | L422 | P420-L422 PolarHBondContact O-N 3.34Å; P420-L422 VanDerWaalsContact O-N 3.1Å |
| 421 | S | 87.9 | Confident | 88.3 | Confident | 62 Ų | 62 | 40 Ų | 40 | 43% | 0.434 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.3 | 176.7 | -54.5 | 0 | 0 | 0 | 0 | 115.9 | A419 T489 | A419-S421 PolarHBondContact O-N 2.61Å; S421-T489 WeakPolarHBondContact CB-O 3.5Å; S421-T489 PolarHBondContact O-N 3.48Å; S421-T489 PolarHBondContact O-OG1 2.96Å |
| 422 | L | 91.6 | Very high | 87 | Confident | 6 Ų | 6 | 43.7 Ų | 43.7 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 131.4 | 172.4 | -174.8 | 65.1 | 0 | 0 | 0 | 110.6 | L278 L355 H377 C417 A419 P420 C486 V488 | L278-L422 HydrophobicContact CD2-CD1 4.31Å; L355-L422 HydrophobicContact CD1-CD2 4.35Å; H377-L422 HydrophobicContact CB-CD2 4.28Å; H377-L422 PolarHBondContact CE1-O 3.33Å; H377-L422 PolarHBondContact NE2-O 2.82Å; C417-L422 HydrophobicContact CB-CD2 4.18Å; A419-L422 HydrophobicContact CB-CB 4.11Å; A419-L422 HydrophobicContact CB-CD2 4.5Å; A419-L422 WeakPolarHBondContact O-CB 3.25Å; A419-L422 PolarHBondContact O-N 3Å; P420-L422 PolarHBondContact O-N 3.34Å; P420-L422 VanDerWaalsContact O-N 3.1Å; L422-C486 HydrophobicContact CD1-CB 4.21Å; L422-V488 HydrophobicContact CD1-CG2 3.93Å |
| 423 | Q | 91.6 | Very high | 85.6 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.5 | 174.4 | -62.8 | 174.7 | 11.8 | 0 | 0 | 108.7 | W445 C486 R487 T489 | Q423-W445 HydrophobicContact CB-CH2 4.19Å; Q423-W445 HydrophobicContact CB-CZ3 4.44Å; Q423-W445 WeakPolarHBondContact O-CZ3 3.25Å; Q423-C486 CarbonylContact O-C 3.53Å; Q423-C486 WeakPolarHBondContact O-CA 3.45Å; Q423-R487 HydrophobicContact CB-CG 4.39Å; Q423-R487 PolarHBondContact N-O 3.27Å; Q423-R487 PolarHBondContact O-N 2.96Å; Q423-R487 VanDerWaalsContact OE1-NH2 3.1Å; Q423-T489 PolarHBondContact NE2-OG1 3.28Å |
| 424 | C | 90.9 | Very high | 83.9 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.128 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 144.2 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111 | H377 V484 C485 C486 | H377-C424 HydrophobicContact CB-CB 4.23Å; C424-V484 HydrophobicContact CB-CG1 4.36Å; C424-C485 CarbonylContact C-O 3.14Å; C424-C485 VanDerWaalsContact CA-O 3.27Å; C424-C485 WeakPolarHBondContact CA-O 3.48Å; C424-C486 HydrophobicContact CB-CB 4.16Å; C424-C486 WeakPolarHBondContact CB-SG 3.5Å; C424-C486 WeakPolarHBondContact SG-CB 3.34Å; C424-C486 CovalentContact SG-SG 2.04Å; C424-C486 PolarHBondContact SG-SG 3.42Å |
| 425 | R | 88.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.9 | 175.1 | 66.1 | 177.9 | 170.2 | 172.2 | -10.2 | 111.2 | P442 W445 C485 | R425-P442 VanDerWaalsContact NH2-CD 3.34Å; R425-W445 HydrophobicContact CB-CZ3 4.41Å; R425-W445 HydrophobicContact CG-CE3 4.11Å; R425-W445 HydrophobicContact CG-CH2 4.07Å; R425-W445 HydrophobicContact CG-CZ3 3.74Å; R425-W445 VanDerWaalsContact NH2-NE1 3.16Å; R425-C485 HydrophobicContact CG-CB 4.11Å; R425-C485 PolarHBondContact N-O 2.87Å; R425-C485 PolarHBondContact O-N 2.87Å |
| 426 | L | 87.8 | Confident | 81.4 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138 | 173.6 | -165.8 | 70.9 | 0 | 0 | 0 | 109.7 | P395 E428 V482 V484 | P395-L426 HydrophobicContact CB-CD1 3.72Å; P395-L426 HydrophobicContact CB-CD2 4.39Å; P395-L426 HydrophobicContact CG-CD1 3.99Å; P395-L426 WeakPolarHBondContact O-CD2 3.38Å; L426-E428 HydrophobicContact CD2-CG 4.11Å; L426-E428 HydrophobicContact CG-CG 4.29Å; L426-V482 HydrophobicContact CD1-CG1 3.36Å; L426-V482 HydrophobicContact CD2-CG1 4.25Å; L426-V482 HydrophobicContact CG-CG1 3.96Å; L426-V484 HydrophobicContact CD1-CG2 3.91Å |
| 427 | L | 86.3 | Confident | 80.4 | Confident | 41 Ų | 41 | 62 Ų | 62 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.5 | 166.4 | -60.5 | 179.8 | 0 | 0 | 0 | 108.6 | V439 P442 V482 A483 C485 | L427-V439 HydrophobicContact CB-CG1 3.95Å; L427-P442 HydrophobicContact CD1-CG 4.48Å; L427-V482 WeakPolarHBondContact O-CA 3.49Å; L427-A483 PolarHBondContact N-O 3.02Å; L427-A483 PolarHBondContact O-N 3.26Å; L427-C485 WeakPolarHBondContact CD1-SG 3.46Å |
| 428 | E | 83.3 | Confident | 79.7 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.7 | 176.5 | -60.5 | -172.4 | 157.6 | 0 | 0 | 108.9 | R394 L426 G481 V482 | R394-E428 IonicContact CZ-OE1 3.81Å; R394-E428 IonicContact CZ-OE2 2.94Å; R394-E428 IonicContact NE-OE1 2.92Å; R394-E428 PolarHBondContact NE-OE1 2.75Å; R394-E428 IonicContact NH2-OE1 2.77Å; R394-E428 PolarHBondContact NH2-OE1 2.84Å; R394-E428 IonicContact NH2-OE2 3.09Å; R394-E428 PolarHBondContact NH2-OE2 3.11Å; L426-E428 HydrophobicContact CD2-CG 4.11Å; L426-E428 HydrophobicContact CG-CG 4.29Å; E428-G481 VanDerWaalsContact CA-O 3.32Å; E428-G481 WeakPolarHBondContact CA-O 3.46Å; E428-V482 HydrophobicContact CG-CG1 4.2Å; E428-V482 HydrophobicContact CG-CG2 4.08Å |
| 429 | T | 80.6 | Confident | 79.3 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 130.1 | 175.3 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | A480 G481 | T429-A480 WeakPolarHBondContact O-CA 3.2Å; T429-G481 PolarHBondContact N-O 3.29Å; T429-G481 PolarHBondContact O-N 2.76Å |
| 430 | T | 73.1 | Confident | 79 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 72% | 0.718 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.7 | 170.1 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | A480 | T430-A480 HydrophobicContact CG2-CB 3.97Å |
| 431 | S | 67.3 | Low | 78.9 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.9 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 111.2 | D433 R473 | S431-D433 VanDerWaalsContact C-N 3.31Å; S431-D433 VanDerWaalsContact OG-CB 3.24Å; S431-D433 WeakPolarHBondContact OG-CB 3.3Å; S431-D433 PolarHBondContact OG-N 2.58Å; S431-R473 PolarHBondContact O-NH1 2.87Å |
| 432 | S | 60.9 | Low | 79 | Confident | 106 Ų | 106 | 63.9 Ų | 63.9 | 74% | 0.741 | 35% | 0.345 | S | S | * | . | trans | -85 | -5.8 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 433 | D | 60.8 | Low | 78.6 | Confident | 94 Ų | 94 | 69.6 Ų | 69.6 | 50% | 0.503 | 39% | 0.386 | S | S | . | . | trans | -62.4 | 133.9 | 178.5 | -167.2 | -8.5 | 0 | 0 | 0 | 110.6 | S431 D435 R473 | S431-D433 VanDerWaalsContact C-N 3.31Å; S431-D433 VanDerWaalsContact OG-CB 3.24Å; S431-D433 WeakPolarHBondContact OG-CB 3.3Å; S431-D433 PolarHBondContact OG-N 2.58Å; D433-D435 PolarHBondContact O-N 3.35Å; D433-R473 PolarHBondContact O-NE 2.92Å; D433-R473 PolarHBondContact O-NH1 2.68Å; D433-R473 VanDerWaalsContact O-NH1 3.17Å; D433-R473 PolarHBondContact O-NH2 3.24Å | ||
| 434 | K | 59.5 | Low | 78.3 | Confident | 121 Ų | 121 | 69 Ų | 69 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -70.4 | -28.8 | -165.7 | -73.3 | -160.8 | 171.5 | -141.7 | 0 | 114.2 | R473 D476 | K434-R473 VanDerWaalsContact CA-NH2 3.3Å; K434-R473 WeakPolarHBondContact O-CG 3.43Å; K434-R473 PolarHBondContact O-NE 2.9Å; K434-D476 IonicContact NZ-OD1 2.68Å; K434-D476 PolarHBondContact NZ-OD1 3.1Å |
| 435 | D | 63.5 | Low | 78.2 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 62% | 0.615 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -118.2 | -26.9 | -166.2 | -61.7 | -28.6 | 0 | 0 | 0 | 113.9 | D433 R473 | D433-D435 PolarHBondContact O-N 3.35Å; D435-R473 PolarHBondContact O-N 3.13Å |
| 436 | Q | 70.4 | Confident | 78.3 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 147 | -177.3 | -63 | -170.3 | 11.5 | 0 | 0 | 113.8 | I471 R472 | Q436-I471 WeakPolarHBondContact CA-O 3.48Å; Q436-R472 HydrophobicContact CG-CG 4.32Å |
| 437 | V | 74.7 | Confident | 78.5 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.012 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 130.4 | 166.8 | -171.8 | 0 | 0 | 0 | 0 | 108 | I471 A479 | V437-I471 HydrophobicContact CB-CB 4.25Å; V437-I471 HydrophobicContact CB-CD1 4.48Å; V437-I471 PolarHBondContact N-O 2.79Å; V437-I471 PolarHBondContact O-N 3.28Å; V437-A479 HydrophobicContact CG2-CB 4.4Å |
| 438 | E | 80.9 | Confident | 78.8 | Confident | 111 Ų | 111 | 62.7 Ų | 62.7 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.8 | 176.1 | -168.1 | 172.3 | 179.5 | 0 | 0 | 110.9 | C469 | E438-C469 WeakPolarHBondContact CA-O 3.5Å |
| 439 | V | 83.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119.8 | 171.7 | -172 | 0 | 0 | 0 | 0 | 108.4 | L427 G468 C469 A483 | L427-V439 HydrophobicContact CB-CG1 3.95Å; V439-G468 CarbonylContact O-C 3.51Å; V439-G468 WeakPolarHBondContact O-CA 3.21Å; V439-C469 HydrophobicContact CB-CB 4.23Å; V439-C469 PolarHBondContact N-O 2.88Å; V439-C469 WeakPolarHBondContact O-CB 3.48Å; V439-C469 PolarHBondContact O-N 2.9Å; V439-A483 HydrophobicContact CB-CB 4.02Å; V439-A483 HydrophobicContact CG1-CB 3.64Å |
| 440 | S | 86.5 | Confident | 79.3 | Confident | 67 Ų | 67 | 55.9 Ų | 55.9 | 47% | 0.469 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 132.2 | -179.6 | -43.4 | 0 | 0 | 0 | 0 | 111.2 | S467 | S440-S467 WeakPolarHBondContact CA-O 3.19Å |
| 441 | C | 88.1 | Confident | 79.6 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 142.7 | 170.1 | -66.5 | 0 | 0 | 0 | 0 | 110.4 | W445 V447 S467 C485 | C441-W445 HydrophobicContact CB-CB 3.87Å; C441-W445 WeakPolarHBondContact CB-O 3.37Å; C441-V447 HydrophobicContact CB-CG2 4.23Å; C441-V447 WeakPolarHBondContact SG-CG2 3.04Å; C441-S467 PolarHBondContact N-O 2.74Å; C441-C485 VanDerWaalsContact CA-SG 3.5Å; C441-C485 HydrophobicContact CB-CB 3.9Å; C441-C485 WeakPolarHBondContact CB-SG 3.43Å; C441-C485 VanDerWaalsContact SG-CA 3.51Å; C441-C485 WeakPolarHBondContact SG-CB 3.06Å; C441-C485 CovalentContact SG-SG 2.02Å; C441-C485 PolarHBondContact SG-SG 3.08Å |
| 442 | P | 88.1 | Confident | 79.9 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 160.1 | 173.9 | -32 | 41.8 | 0 | 0 | 0 | 112.6 | R425 L427 G444 W445 | R425-P442 VanDerWaalsContact NH2-CD 3.34Å; L427-P442 HydrophobicContact CD1-CG 4.48Å; P442-G444 PolarHBondContact O-N 3.02Å; P442-W445 VanDerWaalsContact O-CB 3.31Å; P442-W445 WeakPolarHBondContact O-CB 3.37Å; P442-W445 PolarHBondContact O-N 3.46Å |
| 443 | S | 85.1 | Confident | 80.3 | Confident | 127 Ų | 127 | 46.2 Ų | 46.2 | 89% | 0.888 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 135.7 | 177.9 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | W445 | S443-W445 VanDerWaalsContact C-N 3.31Š|
| 444 | G | 84.3 | Confident | 80.4 | Confident | 62 Ų | 62 | 41.9 Ų | 41.9 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 10.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P442 R487 | P442-G444 PolarHBondContact O-N 3.02Å; G444-R487 VanDerWaalsContact O-CB 3.29Å; G444-R487 WeakPolarHBondContact O-CB 3.47Å |
| 445 | W | 89.5 | Confident | 80.1 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 13% | 0.125 | 26% | 0.26 | C | S | . | . | trans | -121.4 | 141.9 | 171.6 | -64.5 | 74 | 0 | 0 | 0 | 110.7 | Q423 R425 C441 P442 S443 C485 R487 | Q423-W445 HydrophobicContact CB-CH2 4.19Å; Q423-W445 HydrophobicContact CB-CZ3 4.44Å; Q423-W445 WeakPolarHBondContact O-CZ3 3.25Å; R425-W445 HydrophobicContact CB-CZ3 4.41Å; R425-W445 HydrophobicContact CG-CE3 4.11Å; R425-W445 HydrophobicContact CG-CH2 4.07Å; R425-W445 HydrophobicContact CG-CZ3 3.74Å; R425-W445 VanDerWaalsContact NH2-NE1 3.16Å; C441-W445 HydrophobicContact CB-CB 3.87Å; C441-W445 WeakPolarHBondContact CB-O 3.37Å; P442-W445 VanDerWaalsContact O-CB 3.31Å; P442-W445 WeakPolarHBondContact O-CB 3.37Å; P442-W445 PolarHBondContact O-N 3.46Å; S443-W445 VanDerWaalsContact C-N 3.31Å; W445-C485 HydrophobicContact CB-CB 4.21Å; W445-C485 HydrophobicContact CE3-CB 3.97Å; W445-C485 VanDerWaalsContact CE3-O 3.28Å; W445-C485 WeakPolarHBondContact CZ3-O 3.47Å; W445-R487 HydrophobicContact CD2-CB 4.19Å; W445-R487 HydrophobicContact CD2-CG 3.95Å; W445-R487 VanDerWaalsContact CE2-CD 3.48Å; W445-R487 HydrophobicContact CE3-CB 4.16Å; W445-R487 HydrophobicContact CE3-CG 3.91Å; W445-R487 HydrophobicContact CG-CB 4.5Å; W445-R487 HydrophobicContact CH2-CG 4.04Å; W445-R487 HydrophobicContact CZ2-CG 4.07Å; W445-R487 VanDerWaalsContact CZ2-NE 3.27Å; W445-R487 HydrophobicContact CZ3-CG 3.95Å | ||
| 446 | T | 90.9 | Very high | 79.4 | Confident | 32 Ų | 32 | 42.7 Ų | 42.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.8 | -177.9 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | L278 C280 T448 C485 C486 | L278-T446 PolarHBondContact O-OG1 2.78Å; C280-T446 HydrophobicContact CB-CG2 3.6Å; C280-T446 VanDerWaalsContact SG-CG2 3.54Å; T446-T448 PolarHBondContact O-N 2.94Å; T446-C485 WeakPolarHBondContact O-CA 3.47Å; T446-C486 PolarHBondContact N-O 3.03Å; T446-C486 PolarHBondContact O-N 2.94Å |
| 447 | V | 91.6 | Very high | 78.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 124.3 | 172 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | R348 C441 D449 C450 P464 S467 V484 | R348-V447 PolarHBondContact NE-O 2.81Å; R348-V447 PolarHBondContact NH2-O 3.29Å; C441-V447 HydrophobicContact CB-CG2 4.23Å; C441-V447 WeakPolarHBondContact SG-CG2 3.04Å; V447-D449 WeakPolarHBondContact CG1-O 3.4Å; V447-C450 HydrophobicContact CG1-CB 4.45Å; V447-P464 HydrophobicContact CG1-CB 3.77Å; V447-S467 WeakPolarHBondContact CG2-O 3.36Å; V447-V484 WeakPolarHBondContact CA-O 3.2Å |
| 448 | T | 91.4 | Very high | 77.6 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -22.5 | 174.8 | 56.8 | 0 | 0 | 0 | 0 | 113 | L278 M307 G308 R348 T379 T446 V484 C486 | L278-T448 HydrophobicContact CD2-CG2 4.08Å; M307-T448 CarbonylContact C-O 3.58Å; M307-T448 HydrophobicContact CB-CG2 4.16Å; M307-T448 HydrophobicContact CE-CG2 3.71Å; M307-T448 HydrophobicContact SD-CG2 3.78Å; G308-T448 WeakPolarHBondContact CA-O 3.43Å; G308-T448 PolarHBondContact N-O 3.45Å; R348-T448 WeakPolarHBondContact CB-O 3.35Å; R348-T448 VanDerWaalsContact CG-O 3.28Å; R348-T448 WeakPolarHBondContact CG-O 3.32Å; T379-T448 CarbonylContact O-C 3.49Å; T379-T448 WeakPolarHBondContact O-CB 3.35Å; T379-T448 PolarHBondContact O-OG1 2.75Å; T446-T448 PolarHBondContact O-N 2.94Å; T448-V484 PolarHBondContact N-O 2.93Å; T448-V484 PolarHBondContact OG1-O 2.8Å; T448-C486 HydrophobicContact CG2-CB 3.62Å; T448-C486 PolarHBondContact OG1-SG 3.3Å; T448-C486 VanDerWaalsContact OG1-SG 3.37Å |
| 449 | D | 89.4 | Confident | 76.8 | Confident | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 150.6 | 174.2 | -174.3 | 35.7 | 0 | 0 | 0 | 111.1 | T379 G380 C381 V447 A483 V484 | T379-D449 WeakPolarHBondContact O-CB 3.24Å; G380-D449 VanDerWaalsContact CA-CG 3.43Å; G380-D449 VanDerWaalsContact CA-OD2 3.23Å; G380-D449 WeakPolarHBondContact CA-OD2 3.32Å; C381-D449 PolarHBondContact N-OD2 3.12Å; V447-D449 WeakPolarHBondContact CG1-O 3.4Å; D449-A483 WeakPolarHBondContact O-CA 3.34Å; D449-V484 HydrophobicContact CB-CB 4.02Å; D449-V484 HydrophobicContact CB-CG2 3.97Å; D449-V484 PolarHBondContact O-N 3.25Å |
| 450 | C | 85.4 | Confident | 75.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 113.6 | -174.2 | 175.2 | 0 | 0 | 0 | 0 | 108.5 | V447 S462 V463 P464 C469 | V447-C450 HydrophobicContact CG1-CB 4.45Å; C450-S462 VanDerWaalsContact O-CB 3.23Å; C450-S462 WeakPolarHBondContact O-CB 3.46Å; C450-S462 PolarHBondContact O-OG 3.16Å; C450-V463 VanDerWaalsContact SG-C 3.56Å; C450-P464 HydrophobicContact CB-CB 3.88Å; C450-P464 HydrophobicContact CB-CG 4.15Å; C450-C469 WeakPolarHBondContact CA-SG 3.46Å; C450-C469 HydrophobicContact CB-CB 3.68Å; C450-C469 WeakPolarHBondContact CB-SG 3.45Å; C450-C469 WeakPolarHBondContact SG-CA 3.43Å; C450-C469 WeakPolarHBondContact SG-CB 3.32Å; C450-C469 CovalentContact SG-SG 2.01Å; C450-C469 PolarHBondContact SG-SG 3.4Å |
| 451 | S | 79.2 | Confident | 75 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 164.9 | -178.6 | 58 | 0 | 0 | 0 | 0 | 111.4 | I471 V482 | S451-I471 WeakPolarHBondContact O-CD1 3.25Å; S451-V482 PolarHBondContact N-O 3.15Å; S451-V482 PolarHBondContact O-N 3.16Å; S451-V482 VanDerWaalsContact O-O 3.1Å |
| 452 | A | 73.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | S391 V459 I471 A480 | S391-A452 WeakPolarHBondContact CB-O 3.43Å; S391-A452 PolarHBondContact OG-O 2.73Å; A452-V459 HydrophobicContact CB-CG1 3.81Å; A452-V459 HydrophobicContact CB-CG2 4.31Å; A452-I471 HydrophobicContact CB-CD1 3.91Å; A452-I471 HydrophobicContact CB-CG1 4.2Å; A452-I471 HydrophobicContact CB-CG2 3.56Å; A452-A480 WeakPolarHBondContact CA-O 3.39Å |
| 453 | V | 69 | Low | 73.6 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.5 | 172.6 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | R394 A479 A480 V482 | R394-V453 HydrophobicContact CB-CG2 4.47Å; R394-V453 HydrophobicContact CG-CG2 4.41Å; V453-A479 CarbonylContact O-C 3.51Å; V453-A479 WeakPolarHBondContact O-CA 3.1Å; V453-A480 PolarHBondContact N-O 2.94Å; V453-A480 PolarHBondContact O-N 3.08Å; V453-V482 HydrophobicContact CG2-CG2 4.19Å |
| 454 | S | 64.1 | Low | 73 | Confident | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.6 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | G456 S457 | S454-G456 VanDerWaalsContact C-N 3.34Å; S454-G456 PolarHBondContact O-N 3.2Å; S454-S457 PolarHBondContact OG-N 3.36Å; S454-S457 VanDerWaalsContact OG-N 3.16Å; S454-S457 PolarHBondContact OG-O 3.31Å; S454-S457 PolarHBondContact OG-OG 3.19Å |
| 455 | K | 52.7 | Low | 72.3 | Confident | 182 Ų | 182 | 25.3 Ų | 25.3 | 79% | 0.791 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -86.1 | 76.1 | 168.3 | -71.6 | -176.5 | -179.2 | 173.6 | 0 | 109.9 | ||
| 456 | G | 48.6 | Very low | 71.4 | Confident | 70 Ų | 70 | 26.5 Ų | 26.5 | 72% | 0.722 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 93.3 | 14.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S454 | S454-G456 VanDerWaalsContact C-N 3.34Å; S454-G456 PolarHBondContact O-N 3.2Å |
| 457 | S | 51.1 | Low | 70.4 | Confident | 14 Ų | 14 | 28.1 Ų | 28.1 | 10% | 0.098 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -114.6 | 149.9 | 166.9 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | S454 V459 | S454-S457 PolarHBondContact OG-N 3.36Å; S454-S457 VanDerWaalsContact OG-N 3.16Å; S454-S457 PolarHBondContact OG-O 3.31Å; S454-S457 PolarHBondContact OG-OG 3.19Å; S457-V459 PolarHBondContact O-N 3.1Å |
| 458 | A | 57 | Low | 69.7 | Low | 50 Ų | 50 | 28.4 Ų | 28.4 | 41% | 0.413 | 19% | 0.19 | S | C | . | . | trans | -69.2 | 120.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V474 | A458-V474 PolarHBondContact O-N 3.33Š| ||
| 459 | V | 62.6 | Low | 69.2 | Low | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 117.9 | 174 | 179.5 | 0 | 0 | 0 | 0 | 108.4 | R318 A452 S457 G461 I471 | R318-V459 PolarHBondContact NE-O 2.84Å; A452-V459 HydrophobicContact CB-CG1 3.81Å; A452-V459 HydrophobicContact CB-CG2 4.31Å; S457-V459 PolarHBondContact O-N 3.1Å; V459-G461 PolarHBondContact O-N 3.16Å; V459-I471 HydrophobicContact CG1-CG2 3.97Å |
| 460 | V | 66 | Low | 68.7 | Low | 6 Ų | 6 | 31.9 Ų | 31.9 | 4% | 0.036 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | -42.1 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | Y312 A313 R472 V474 | Y312-V460 HydrophobicContact CD2-CG1 4.38Å; Y312-V460 HydrophobicContact CE1-CG1 4.09Å; Y312-V460 HydrophobicContact CE2-CG1 3.66Å; Y312-V460 VanDerWaalsContact CZ-CG1 3.49Å; A313-V460 PolarHBondContact N-O 2.88Å; A313-V460 CarbonylContact O-C 3.56Å; A313-V460 WeakPolarHBondContact O-CA 3.2Å; A313-V460 WeakPolarHBondContact O-CG1 3.46Å; V460-R472 HydrophobicContact CB-CB 4Å; V460-R472 WeakPolarHBondContact CB-O 3.29Å; V460-R472 HydrophobicContact CG1-CB 4.34Å; V460-R472 HydrophobicContact CG2-CB 4.32Å; V460-R472 PolarHBondContact N-O 3.28Å; V460-V474 HydrophobicContact CG2-CB 4.37Å; V460-V474 HydrophobicContact CG2-CG2 3.45Å; V460-V474 VanDerWaalsContact CG2-CG2 3.45Å |
| 461 | G | 67.1 | Low | 68.2 | Low | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | 170 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S311 V459 R472 | S311-G461 WeakPolarHBondContact O-CA 3.5Å; V459-G461 PolarHBondContact O-N 3.16Å; G461-R472 PolarHBondContact O-N 2.93Å |
| 462 | S | 71.8 | Confident | 67.9 | Low | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.5 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 108.9 | S310 C450 | S310-S462 WeakPolarHBondContact CB-O 3.45Å; S310-S462 PolarHBondContact OG-O 3.25Å; C450-S462 VanDerWaalsContact O-CB 3.23Å; C450-S462 WeakPolarHBondContact O-CB 3.46Å; C450-S462 PolarHBondContact O-OG 3.16Å |
| 463 | V | 74.4 | Confident | 67.8 | Low | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 119.7 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 109 | W284 Y312 C450 E465 R470 | W284-V463 HydrophobicContact CH2-CB 4.46Å; W284-V463 HydrophobicContact CH2-CG1 4.09Å; W284-V463 HydrophobicContact CH2-CG2 3.5Å; W284-V463 VanDerWaalsContact CH2-CG2 3.5Å; W284-V463 HydrophobicContact CZ2-CB 4.24Å; W284-V463 HydrophobicContact CZ2-CG1 3.41Å; W284-V463 VanDerWaalsContact CZ2-CG1 3.41Å; W284-V463 HydrophobicContact CZ2-CG2 3.75Å; Y312-V463 HydrophobicContact CD2-CG2 3.88Å; C450-V463 VanDerWaalsContact SG-C 3.56Å; V463-E465 HydrophobicContact CG1-CG 4.03Å; V463-R470 PolarHBondContact N-O 3.37Å; V463-R470 PolarHBondContact O-N 2.99Å |
| 464 | P | 72.8 | Confident | 67.3 | Low | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.7 | 167.8 | 26.6 | -26.1 | 0 | 0 | 0 | 109.9 | S282 R348 V447 C450 G468 | S282-P464 PolarHBondContact OG-O 3.17Å; R348-P464 HydrophobicContact CB-CG 4.48Å; R348-P464 HydrophobicContact CG-CG 4.41Å; R348-P464 PolarHBondContact NH1-O 2.71Å; V447-P464 HydrophobicContact CG1-CB 3.77Å; C450-P464 HydrophobicContact CB-CB 3.88Å; C450-P464 HydrophobicContact CB-CG 4.15Å; P464-G468 CarbonylContact C-O 3.48Å; P464-G468 WeakPolarHBondContact CA-O 3.31Å |
| 465 | E | 69.8 | Low | 67.1 | Low | 62 Ų | 62 | 40.1 Ų | 40.1 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 118.3 | 177.3 | -75.6 | -178.1 | -161.4 | 0 | 0 | 109.1 | V463 S467 G468 R470 | V463-E465 HydrophobicContact CG1-CG 4.03Å; E465-S467 PolarHBondContact O-N 3.14Å; E465-G468 PolarHBondContact N-O 2.85Å; E465-G468 CarbonylContact O-C 3.48Å; E465-G468 WeakPolarHBondContact O-CA 3.24Å; E465-G468 PolarHBondContact O-N 2.85Å; E465-G468 VanDerWaalsContact O-O 3.07Å; E465-R470 IonicContact OE1-CZ 3.76Å; E465-R470 IonicContact OE1-NH1 3.13Å; E465-R470 PolarHBondContact OE1-NH1 2.78Å; E465-R470 IonicContact OE2-CZ 2.6Å; E465-R470 IonicContact OE2-NH1 3.08Å; E465-R470 PolarHBondContact OE2-NH1 3.45Å; E465-R470 IonicContact OE2-NH2 3.63Å; E465-R470 PolarHBondContact OE2-NH2 3.31Å |
| 466 | G | 69.8 | Low | 67.2 | Low | 57 Ų | 57 | 37.3 Ų | 37.3 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | -122.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R348 | R348-G466 PolarHBondContact NH2-O 3.47Š|
| 467 | S | 70.3 | Confident | 67.7 | Low | 67 Ų | 67 | 35.4 Ų | 35.4 | 47% | 0.469 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.5 | 173 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | S440 C441 V447 E465 | S440-S467 WeakPolarHBondContact CA-O 3.19Å; C441-S467 PolarHBondContact N-O 2.74Å; V447-S467 WeakPolarHBondContact CG2-O 3.36Å; E465-S467 PolarHBondContact O-N 3.14Å |
| 468 | G | 76.9 | Confident | 68.2 | Low | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 159.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V439 P464 E465 | V439-G468 CarbonylContact O-C 3.51Å; V439-G468 WeakPolarHBondContact O-CA 3.21Å; P464-G468 CarbonylContact C-O 3.48Å; P464-G468 WeakPolarHBondContact CA-O 3.31Å; E465-G468 PolarHBondContact N-O 2.85Å; E465-G468 CarbonylContact O-C 3.48Å; E465-G468 WeakPolarHBondContact O-CA 3.24Å; E465-G468 PolarHBondContact O-N 2.85Å; E465-G468 VanDerWaalsContact O-O 3.07Å |
| 469 | C | 81.1 | Confident | 68.7 | Low | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 108.7 | 171.3 | 166.3 | 0 | 0 | 0 | 0 | 106.6 | E438 V439 C450 A483 | E438-C469 WeakPolarHBondContact CA-O 3.5Å; V439-C469 HydrophobicContact CB-CB 4.23Å; V439-C469 PolarHBondContact N-O 2.88Å; V439-C469 WeakPolarHBondContact O-CB 3.48Å; V439-C469 PolarHBondContact O-N 2.9Å; C450-C469 WeakPolarHBondContact CA-SG 3.46Å; C450-C469 HydrophobicContact CB-CB 3.68Å; C450-C469 WeakPolarHBondContact CB-SG 3.45Å; C450-C469 WeakPolarHBondContact SG-CA 3.43Å; C450-C469 WeakPolarHBondContact SG-CB 3.32Å; C450-C469 CovalentContact SG-SG 2.01Å; C450-C469 PolarHBondContact SG-SG 3.4Å; C469-A483 HydrophobicContact CB-CB 4.08Å |
| 470 | R | 78.6 | Confident | 69.2 | Low | 77 Ų | 77 | 40.5 Ų | 40.5 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 129 | 179 | -170.6 | -175.7 | -67.8 | 134.6 | 7.8 | 109.3 | V463 E465 | V463-R470 PolarHBondContact N-O 3.37Å; V463-R470 PolarHBondContact O-N 2.99Å; E465-R470 IonicContact OE1-CZ 3.76Å; E465-R470 IonicContact OE1-NH1 3.13Å; E465-R470 PolarHBondContact OE1-NH1 2.78Å; E465-R470 IonicContact OE2-CZ 2.6Å; E465-R470 IonicContact OE2-NH1 3.08Å; E465-R470 PolarHBondContact OE2-NH1 3.45Å; E465-R470 IonicContact OE2-NH2 3.63Å; E465-R470 PolarHBondContact OE2-NH2 3.31Å |
| 471 | I | 75.6 | Confident | 69.8 | Low | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118.6 | 179.5 | -61 | 161.6 | 0 | 0 | 0 | 107.5 | Q436 V437 S451 A452 V459 | Q436-I471 WeakPolarHBondContact CA-O 3.48Å; V437-I471 HydrophobicContact CB-CB 4.25Å; V437-I471 HydrophobicContact CB-CD1 4.48Å; V437-I471 PolarHBondContact N-O 2.79Å; V437-I471 PolarHBondContact O-N 3.28Å; S451-I471 WeakPolarHBondContact O-CD1 3.25Å; A452-I471 HydrophobicContact CB-CD1 3.91Å; A452-I471 HydrophobicContact CB-CG1 4.2Å; A452-I471 HydrophobicContact CB-CG2 3.56Å; V459-I471 HydrophobicContact CG1-CG2 3.97Å |
| 472 | R | 73.3 | Confident | 70.6 | Confident | 85 Ų | 85 | 40.2 Ų | 40.2 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 137.6 | 172.7 | -72.7 | -178.2 | 76.6 | -175.1 | 2.2 | 109.2 | E253 Y312 Q436 V460 G461 | E253-R472 IonicContact OE1-CZ 2.92Å; E253-R472 IonicContact OE1-NH1 3.41Å; E253-R472 PolarHBondContact OE1-NH1 3.27Å; E253-R472 VanDerWaalsContact OE1-NH1 3.08Å; E253-R472 IonicContact OE1-NH2 3.38Å; E253-R472 PolarHBondContact OE1-NH2 2.98Å; Y312-R472 PolarHBondContact OH-NH1 2.86Å; Y312-R472 VanDerWaalsContact OH-NH1 3.1Å; Q436-R472 HydrophobicContact CG-CG 4.32Å; V460-R472 HydrophobicContact CB-CB 4Å; V460-R472 WeakPolarHBondContact CB-O 3.29Å; V460-R472 HydrophobicContact CG1-CB 4.34Å; V460-R472 HydrophobicContact CG2-CB 4.32Å; V460-R472 PolarHBondContact N-O 3.28Å; G461-R472 PolarHBondContact O-N 2.93Å |
| 473 | R | 70.8 | Confident | 71.4 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 7% | 0.072 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 155.7 | 180 | 71.4 | -175.9 | -158.4 | -175.4 | 10.8 | 111.9 | S431 D433 K434 D435 A477 | S431-R473 PolarHBondContact O-NH1 2.87Å; D433-R473 PolarHBondContact O-NE 2.92Å; D433-R473 PolarHBondContact O-NH1 2.68Å; D433-R473 VanDerWaalsContact O-NH1 3.17Å; D433-R473 PolarHBondContact O-NH2 3.24Å; K434-R473 VanDerWaalsContact CA-NH2 3.3Å; K434-R473 WeakPolarHBondContact O-CG 3.43Å; K434-R473 PolarHBondContact O-NE 2.9Å; D435-R473 PolarHBondContact O-N 3.13Å; R473-A477 PolarHBondContact NH1-O 3.17Å |
| 474 | V | 60 | Low | 72.2 | Confident | 85 Ų | 85 | 39.9 Ų | 39.9 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | trans | -121.3 | 116.1 | 170.2 | 173.6 | 0 | 0 | 0 | 0 | 107.8 | A458 V460 | A458-V474 PolarHBondContact O-N 3.33Å; V460-V474 HydrophobicContact CG2-CB 4.37Å; V460-V474 HydrophobicContact CG2-CG2 3.45Å; V460-V474 VanDerWaalsContact CG2-CG2 3.45Å | ||
| 475 | G | 59.3 | Low | 73.1 | Confident | 41 Ų | 41 | 39.7 Ų | 39.7 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 111.7 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 476 | D | 54.2 | Low | 74.2 | Confident | 123 Ų | 123 | 36.8 Ų | 36.8 | 66% | 0.658 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -91.9 | -1.1 | -168.2 | -76.8 | -51.1 | 0 | 0 | 0 | 115.6 | K434 | K434-D476 IonicContact NZ-OD1 2.68Å; K434-D476 PolarHBondContact NZ-OD1 3.1Å |
| 477 | A | 59.3 | Low | 75.3 | Confident | 30 Ų | 30 | 38 Ų | 38 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -77.9 | 147.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R473 A479 | R473-A477 PolarHBondContact NH1-O 3.17Å; A477-A479 PolarHBondContact O-N 2.86Å |
| 478 | E | 62.4 | Low | 76.1 | Confident | 150 Ų | 150 | 36 Ų | 36 | 70% | 0.701 | 19% | 0.19 | S | C | * | . | trans | -61 | 131.9 | 176.4 | -72.9 | -175.2 | 161.1 | 0 | 0 | 111.7 | ||||
| 479 | A | 66.9 | Low | 76.2 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.3 | 174 | 0 | 0 | 0 | 0 | 0 | 110 | V437 V453 A477 | V437-A479 HydrophobicContact CG2-CB 4.4Å; V453-A479 CarbonylContact O-C 3.51Å; V453-A479 WeakPolarHBondContact O-CA 3.1Å; A477-A479 PolarHBondContact O-N 2.86Å |
| 480 | A | 73.9 | Confident | 75.4 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.9 | 170 | 0 | 0 | 0 | 0 | 0 | 109 | T429 T430 A452 V453 | T429-A480 WeakPolarHBondContact O-CA 3.2Å; T430-A480 HydrophobicContact CG2-CB 3.97Å; A452-A480 WeakPolarHBondContact CA-O 3.39Å; V453-A480 PolarHBondContact N-O 2.94Å; V453-A480 PolarHBondContact O-N 3.08Å |
| 481 | G | 78.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E428 T429 | E428-G481 VanDerWaalsContact CA-O 3.32Å; E428-G481 WeakPolarHBondContact CA-O 3.46Å; T429-G481 PolarHBondContact N-O 3.29Å; T429-G481 PolarHBondContact O-N 2.76Å |
| 482 | V | 83.1 | Confident | 73 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 127 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | P395 L426 L427 E428 S451 V453 | P395-V482 HydrophobicContact CG-CG1 4.03Å; L426-V482 HydrophobicContact CD1-CG1 3.36Å; L426-V482 HydrophobicContact CD2-CG1 4.25Å; L426-V482 HydrophobicContact CG-CG1 3.96Å; L427-V482 WeakPolarHBondContact O-CA 3.49Å; E428-V482 HydrophobicContact CG-CG1 4.2Å; E428-V482 HydrophobicContact CG-CG2 4.08Å; S451-V482 PolarHBondContact N-O 3.15Å; S451-V482 PolarHBondContact O-N 3.16Å; S451-V482 VanDerWaalsContact O-O 3.1Å; V453-V482 HydrophobicContact CG2-CG2 4.19Å |
| 483 | A | 88.5 | Confident | 71.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 135.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L427 V439 D449 C469 | L427-A483 PolarHBondContact N-O 3.02Å; L427-A483 PolarHBondContact O-N 3.26Å; V439-A483 HydrophobicContact CB-CB 4.02Å; V439-A483 HydrophobicContact CG1-CB 3.64Å; D449-A483 WeakPolarHBondContact O-CA 3.34Å; C469-A483 HydrophobicContact CB-CB 4.08Å |
| 484 | V | 91.3 | Very high | 70 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.4 | 165.3 | -173.5 | 0 | 0 | 0 | 0 | 107.8 | T379 C424 L426 V447 T448 D449 | T379-V484 WeakPolarHBondContact O-CB 3.48Å; C424-V484 HydrophobicContact CB-CG1 4.36Å; L426-V484 HydrophobicContact CD1-CG2 3.91Å; V447-V484 WeakPolarHBondContact CA-O 3.2Å; T448-V484 PolarHBondContact N-O 2.93Å; T448-V484 PolarHBondContact OG1-O 2.8Å; D449-V484 HydrophobicContact CB-CB 4.02Å; D449-V484 HydrophobicContact CB-CG2 3.97Å; D449-V484 PolarHBondContact O-N 3.25Å |
| 485 | C | 92.3 | Very high | 68.9 | Low | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 123.8 | 178.6 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | C424 R425 L427 C441 W445 T446 | C424-C485 CarbonylContact C-O 3.14Å; C424-C485 VanDerWaalsContact CA-O 3.27Å; C424-C485 WeakPolarHBondContact CA-O 3.48Å; R425-C485 HydrophobicContact CG-CB 4.11Å; R425-C485 PolarHBondContact N-O 2.87Å; R425-C485 PolarHBondContact O-N 2.87Å; L427-C485 WeakPolarHBondContact CD1-SG 3.46Å; C441-C485 VanDerWaalsContact CA-SG 3.5Å; C441-C485 HydrophobicContact CB-CB 3.9Å; C441-C485 WeakPolarHBondContact CB-SG 3.43Å; C441-C485 VanDerWaalsContact SG-CA 3.51Å; C441-C485 WeakPolarHBondContact SG-CB 3.06Å; C441-C485 CovalentContact SG-SG 2.02Å; C441-C485 PolarHBondContact SG-SG 3.08Å; W445-C485 HydrophobicContact CB-CB 4.21Å; W445-C485 HydrophobicContact CE3-CB 3.97Å; W445-C485 VanDerWaalsContact CE3-O 3.28Å; W445-C485 WeakPolarHBondContact CZ3-O 3.47Å; T446-C485 WeakPolarHBondContact O-CA 3.47Å |
| 486 | C | 92.6 | Very high | 68.2 | Low | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 155.4 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | L278 L422 Q423 C424 T446 T448 | L278-C486 HydrophobicContact CD2-CB 3.64Å; L422-C486 HydrophobicContact CD1-CB 4.21Å; Q423-C486 CarbonylContact O-C 3.53Å; Q423-C486 WeakPolarHBondContact O-CA 3.45Å; C424-C486 HydrophobicContact CB-CB 4.16Å; C424-C486 WeakPolarHBondContact CB-SG 3.5Å; C424-C486 WeakPolarHBondContact SG-CB 3.34Å; C424-C486 CovalentContact SG-SG 2.04Å; C424-C486 PolarHBondContact SG-SG 3.42Å; T446-C486 PolarHBondContact N-O 3.03Å; T446-C486 PolarHBondContact O-N 2.94Å; T448-C486 HydrophobicContact CG2-CB 3.62Å; T448-C486 PolarHBondContact OG1-SG 3.3Å; T448-C486 VanDerWaalsContact OG1-SG 3.37Å |
| 487 | R | 91.4 | Very high | 67.7 | Low | 83 Ų | 83 | 63.5 Ų | 63.5 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 157.5 | 169.6 | 68.5 | 174 | -178.3 | 171.4 | 4.2 | 110.3 | Q423 G444 W445 | Q423-R487 HydrophobicContact CB-CG 4.39Å; Q423-R487 PolarHBondContact N-O 3.27Å; Q423-R487 PolarHBondContact O-N 2.96Å; Q423-R487 VanDerWaalsContact OE1-NH2 3.1Å; G444-R487 VanDerWaalsContact O-CB 3.29Å; G444-R487 WeakPolarHBondContact O-CB 3.47Å; W445-R487 HydrophobicContact CD2-CB 4.19Å; W445-R487 HydrophobicContact CD2-CG 3.95Å; W445-R487 VanDerWaalsContact CE2-CD 3.48Å; W445-R487 HydrophobicContact CE3-CB 4.16Å; W445-R487 HydrophobicContact CE3-CG 3.91Å; W445-R487 HydrophobicContact CG-CB 4.5Å; W445-R487 HydrophobicContact CH2-CG 4.04Å; W445-R487 HydrophobicContact CZ2-CG 4.07Å; W445-R487 VanDerWaalsContact CZ2-NE 3.27Å; W445-R487 HydrophobicContact CZ3-CG 3.95Å |
| 488 | V | 88.6 | Confident | 67.5 | Low | 24 Ų | 24 | 68.2 Ų | 68.2 | 15% | 0.145 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.7 | 164 | 174.5 | 0 | 0 | 0 | 0 | 107.7 | G276 L278 V352 L422 | G276-V488 WeakPolarHBondContact O-CB 3.27Å; G276-V488 WeakPolarHBondContact O-CG1 3.48Å; L278-V488 HydrophobicContact CB-CG2 4.38Å; V352-V488 HydrophobicContact CB-CG2 4.49Å; V352-V488 HydrophobicContact CG1-CG2 3.99Å; V352-V488 HydrophobicContact CG2-CB 4.31Å; V352-V488 HydrophobicContact CG2-CG1 4.43Å; V352-V488 HydrophobicContact CG2-CG2 3.97Å; L422-V488 HydrophobicContact CD1-CG2 3.93Å |
| 489 | T | 79.1 | Confident | 67.2 | Low | 35 Ų | 35 | 72 Ų | 72 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 130.9 | 174.1 | 42.2 | 0 | 0 | 0 | 0 | 109.1 | S421 Q423 | S421-T489 WeakPolarHBondContact CB-O 3.5Å; S421-T489 PolarHBondContact O-N 3.48Å; S421-T489 PolarHBondContact O-OG1 2.96Å; Q423-T489 PolarHBondContact NE2-OG1 3.28Å |
| 490 | P | 63.4 | Low | 67.2 | Low | 102 Ų | 102 | 75.5 Ų | 75.5 | 66% | 0.662 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 145.8 | 172.5 | -21.4 | 31.1 | 0 | 0 | 0 | 109.9 | E492 | P490-E492 PolarHBondContact O-N 3.38Š|
| 491 | P | 55.6 | Low | 66.8 | Low | 112 Ų | 112 | 78.3 Ų | 78.3 | 73% | 0.727 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 133.3 | 170.8 | 23.8 | -30.7 | 0 | 0 | 0 | 109.1 | T493 | P491-T493 PolarHBondContact O-N 3.32Å; P491-T493 VanDerWaalsContact O-N 3.12Å |
| 492 | E | 49.2 | Very low | 66.2 | Low | 192 Ų | 192 | 82.6 Ų | 82.6 | 90% | 0.897 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 120.5 | 174.8 | -75 | -177.7 | 159.6 | 0 | 0 | 109 | P490 | P490-E492 PolarHBondContact O-N 3.38Š|
| 493 | T | 41.3 | Very low | 65.2 | Low | 132 Ų | 132 | 87.4 Ų | 87.4 | 81% | 0.81 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 124 | 166.1 | 11.9 | 0 | 0 | 0 | 0 | 107.2 | P491 A495 | P491-T493 PolarHBondContact O-N 3.32Å; P491-T493 VanDerWaalsContact O-N 3.12Å; T493-A495 PolarHBondContact O-N 2.77Å |
| 494 | P | 39.3 | Very low | 63.7 | Low | 119 Ų | 119 | 92.9 Ų | 92.9 | 77% | 0.773 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.1 | 177.5 | 21.2 | -30 | 0 | 0 | 0 | 108.6 | ||
| 495 | A | 37.3 | Very low | 61.9 | Low | 84 Ų | 84 | 98.7 Ų | 98.7 | 69% | 0.694 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 138.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T493 T497 | T493-A495 PolarHBondContact O-N 2.77Å; A495-T497 PolarHBondContact O-N 2.72Å |
| 496 | P | 43.3 | Very low | 59.7 | Low | 122 Ų | 122 | 105.8 Ų | 105.8 | 79% | 0.792 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 121.5 | 174.8 | 22.6 | -30.8 | 0 | 0 | 0 | 107.7 | ||
| 497 | T | 43.5 | Very low | 57.2 | Low | 116 Ų | 116 | 113.9 Ų | 113.9 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 124.2 | 170.9 | 39.2 | 0 | 0 | 0 | 0 | 107.4 | A495 N499 | A495-T497 PolarHBondContact O-N 2.72Å; T497-N499 PolarHBondContact O-N 3.4Å; T497-N499 VanDerWaalsContact O-N 3.11Å |
| 498 | P | 56.8 | Low | 54.3 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 84% | 0.844 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.4 | 175.1 | 23.8 | -30 | 0 | 0 | 0 | 107.8 | ||
| 499 | N | 54.8 | Low | 51.2 | Low | 230 Ų | 230 | 124.9 Ų | 124.9 | 100% | 1.23 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 0 | 173.1 | -82.1 | -19.1 | 0 | 0 | 0 | 111.5 | T497 | T497-N499 PolarHBondContact O-N 3.4Å; T497-N499 VanDerWaalsContact O-N 3.11Å |
Retrieved 499 of 499 residues in 714.9 ms
(Link to these results)